#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh4 n SER 2 N 0.00 0.00 -4.70 1.61 7.64 -1.26 -4.78 113.62 112.12 1wh4 n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1wh4 n SER 2 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 1wh4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh4 s SER 3 N 0.00 3.36 0.50 6.43 0.01 -1.26 -4.94 113.70 117.80 1wh4 s SER 3 Ca 0.00 1.58 0.18 0.00 1.31 0.00 0.00 55.95 59.02 1wh4 s SER 3 Cb 0.00 -2.25 1.25 0.00 0.21 0.00 0.00 66.02 65.24 1wh4 s SER 3 CO 0.00 -2.73 2.07 1.23 0.41 0.00 0.00 173.24 174.22 1wh4 h GLY 4 N -1.61 0.12 -1.82 3.44 0.00 -2.08 -3.46 103.07 97.66 1wh4 h GLY 4 Ca -0.49 -0.04 -0.23 0.00 0.00 0.00 0.00 47.33 46.56 1wh4 h GLY 4 CO 0.53 0.03 -0.31 1.44 0.00 0.00 0.00 176.54 178.23 1wh4 n SER 5 N -4.47 -3.82 -4.64 0.19 7.64 -1.26 -5.02 113.62 102.24 1wh4 n SER 5 Ca 0.04 -0.03 -0.29 0.00 1.01 0.00 0.00 58.87 59.60 1wh4 n SER 5 Cb 0.31 -3.00 0.19 0.00 -1.01 0.00 0.00 64.21 60.69 1wh4 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh4 s SER 6 N -2.52 2.39 0.02 6.43 0.01 -1.26 -4.91 113.70 113.86 1wh4 s SER 6 Ca 0.02 1.38 -0.36 0.00 1.31 0.00 0.00 55.95 58.30 1wh4 s SER 6 Cb -0.01 -2.07 -0.15 0.00 0.21 0.00 0.00 66.02 64.00 1wh4 s SER 6 CO 0.03 -3.30 1.56 0.61 0.41 0.00 0.00 173.24 172.54 1wh4 n GLY 7 N -0.56 0.86 0.06 3.44 0.00 -1.26 -4.90 105.19 102.83 1wh4 n GLY 7 Ca 0.05 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 46.76 1wh4 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1wh4 n MET 8 N 3.88 1.80 -2.15 1.61 0.00 -1.26 -4.58 117.12 116.42 1wh4 n MET 8 Ca 0.20 0.01 -0.30 0.00 -0.00 0.00 0.00 57.70 57.61 1wh4 n MET 8 Cb 0.22 -1.30 -0.05 0.00 0.00 0.00 0.00 33.22 32.10 1wh4 n MET 8 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1wh4 s ASN 9 N -4.61 5.41 -0.22 6.12 0.01 -1.26 -4.85 114.94 115.54 1wh4 s ASN 9 Ca -0.08 -0.78 -0.09 0.00 -0.71 0.00 0.00 52.86 51.20 1wh4 s ASN 9 Cb 0.04 -2.56 0.09 0.00 0.41 0.00 0.00 41.25 39.23 1wh4 s ASN 9 CO 0.46 -2.49 0.48 -0.75 -1.51 0.00 0.00 177.10 173.29 1wh4 s LYS 10 N 6.62 0.42 0.00 -0.60 2.36 -1.26 -5.18 119.74 122.10 1wh4 s LYS 10 Ca 0.65 1.09 0.00 0.00 -2.55 0.00 0.00 55.97 55.16 1wh4 s LYS 10 Cb -0.06 0.36 0.00 0.00 -1.05 0.00 0.00 37.83 37.08 1wh4 s LYS 10 CO -0.02 -0.22 0.00 -0.35 1.55 0.00 0.00 175.35 176.32 1wh4 n PRO 11 N 5.11 0.78 -1.84 4.03 -0.04 -1.26 -4.99 135.00 136.79 1wh4 n PRO 11 Ca -0.13 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1wh4 n PRO 11 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 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 4.37 0.45 1.53 2.01 -1.21 -4.99 118.68 120.84 1wh4 s LEU 12 Ca 0.00 2.70 -0.20 0.00 0.01 0.00 0.00 54.13 56.64 1wh4 s LEU 12 Cb 0.00 -3.59 -0.10 0.00 0.01 0.00 0.00 46.19 42.51 1wh4 s LEU 12 CO 0.00 -0.90 0.96 0.42 1.01 0.00 0.00 176.35 177.84 1wh4 s THR 13 N 1.50 4.38 0.07 5.49 -4.23 -1.26 -4.55 115.64 117.04 1wh4 s THR 13 Ca 0.73 1.43 -0.26 0.00 -1.18 0.00 0.00 61.69 62.41 1wh4 s THR 13 Cb -0.45 -3.61 -0.17 0.00 1.34 0.00 0.00 72.50 69.61 1wh4 s THR 13 CO 0.32 -0.37 1.64 1.55 -0.54 0.00 0.00 174.62 177.22 1wh4 h PRO 14 N 1.75 -0.30 0.00 3.99 0.13 -1.94 -2.49 132.00 133.13 1wh4 h PRO 14 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wh4 h PRO 14 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wh4 h PRO 14 CO 0.61 -0.16 0.00 0.43 -0.23 0.00 0.00 178.00 178.65 1wh4 n SER 15 N -5.20 0.00 -4.62 1.44 7.64 -1.26 -0.17 113.62 111.44 1wh4 n SER 15 Ca -0.09 -1.41 -0.41 0.00 1.01 0.00 0.00 58.87 57.97 1wh4 n SER 15 Cb 0.17 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.39 1wh4 n SER 15 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1wh4 n THR 16 N -0.58 2.69 -2.46 0.44 -1.04 -0.94 -4.85 114.28 107.55 1wh4 n THR 16 Ca 0.03 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.21 1wh4 n THR 16 Cb 0.01 -1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 67.27 1wh4 n THR 16 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1wh4 s TYR 17 N -1.32 3.15 0.12 -1.42 1.51 -1.26 -0.44 117.35 117.69 1wh4 s TYR 17 Ca 0.65 1.55 -0.20 0.00 -1.01 0.00 0.00 57.07 58.06 1wh4 s TYR 17 Cb -0.52 -2.95 -0.07 0.00 -0.11 0.00 0.00 41.96 38.31 1wh4 s TYR 17 CO 0.55 -0.65 1.74 0.82 -1.11 0.00 0.00 175.55 176.90 1wh4 h ILE 18 N 1.24 1.08 0.00 2.71 1.08 -1.82 -1.72 117.51 120.08 1wh4 h ILE 18 Ca -0.48 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 1wh4 h ILE 18 Cb 1.20 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1wh4 h ILE 18 CO 0.60 0.08 0.00 -2.11 -0.69 0.00 0.00 178.15 176.03 1wh4 n ARG 19 N -4.91 0.06 0.10 2.37 1.85 -1.26 -0.93 116.66 113.94 1wh4 n ARG 19 Ca -0.03 0.45 -0.02 0.00 -1.00 0.00 0.00 57.85 57.25 1wh4 n ARG 19 Cb 0.05 -1.65 -0.01 0.00 -1.05 0.00 0.00 32.46 29.79 1wh4 n ARG 19 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wh4 h ASN 20 N 0.00 0.00 -2.43 2.89 -0.73 -1.70 -3.45 115.58 110.16 1wh4 h ASN 20 Ca 0.00 0.00 -0.53 0.00 1.87 0.00 0.00 56.30 57.64 1wh4 h ASN 20 Cb 0.12 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.73 1wh4 h ASN 20 CO 0.00 0.74 1.19 -0.76 -0.37 0.00 0.00 177.43 178.23 1wh4 s LEU 21 N -6.69 4.42 0.79 0.34 1.43 -0.10 -4.93 118.68 113.93 1wh4 s LEU 21 Ca 0.02 2.67 -0.13 0.00 -1.03 0.00 0.00 54.13 55.66 1wh4 s LEU 21 Cb 0.09 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.85 1wh4 s LEU 21 CO 0.78 -1.03 1.16 0.21 0.23 0.00 0.00 176.35 177.70 1wh4 s ASN 22 N 3.90 3.90 0.53 2.29 2.47 -1.26 -4.70 114.94 122.07 1wh4 s ASN 22 Ca 0.85 2.19 0.22 0.00 0.42 0.00 0.00 52.86 56.55 1wh4 s ASN 22 Cb -0.43 -2.57 1.35 0.00 -1.45 0.00 0.00 41.25 38.15 1wh4 s ASN 22 CO 0.39 -2.45 2.04 1.62 -3.72 0.00 0.00 177.10 174.99 1wh4 h VAL 23 N -0.91 0.82 -0.66 -5.21 3.04 -1.97 0.63 116.25 112.00 1wh4 h VAL 23 Ca -0.45 -0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.27 1wh4 h VAL 23 Cb 1.27 0.81 -0.05 0.00 -2.01 0.00 0.00 31.29 31.32 1wh4 h VAL 23 CO 0.48 0.00 0.39 1.23 -1.01 0.00 0.00 177.57 178.66 1wh4 h GLY 24 N 0.01 0.95 1.26 3.17 0.00 -2.00 0.55 103.07 107.01 1wh4 h GLY 24 Ca 0.17 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1wh4 h GLY 24 CO -0.00 0.22 -0.48 -2.22 0.00 0.00 0.00 176.54 174.06 1wh4 h ILE 25 N 0.75 1.29 -0.61 2.60 1.08 -1.26 -2.41 117.51 118.95 1wh4 h ILE 25 Ca 0.27 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.06 1wh4 h ILE 25 Cb 0.08 1.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1wh4 h ILE 25 CO -0.13 0.54 0.32 -0.07 -0.69 0.00 0.00 178.15 178.12 1wh4 h LEU 26 N 0.62 0.76 -0.29 1.44 3.38 -0.70 0.12 115.31 120.64 1wh4 h LEU 26 Ca 0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1wh4 h LEU 26 Cb 1.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1wh4 h LEU 26 CO 0.11 0.62 0.10 0.03 0.09 0.00 0.00 178.44 179.38 1wh4 h ARG 27 N 0.86 0.45 0.59 1.13 2.47 -0.79 -1.90 114.38 117.19 1wh4 h ARG 27 Ca 0.22 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1wh4 h ARG 27 Cb 0.04 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1wh4 h ARG 27 CO -0.03 0.50 -0.38 0.87 0.56 0.00 0.00 179.97 181.48 1wh4 h LYS 28 N 0.32 -0.89 -0.44 0.04 1.57 -0.81 -2.64 116.57 113.72 1wh4 h LYS 28 Ca 0.10 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1wh4 h LYS 28 Cb 0.23 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 32.67 1wh4 h LYS 28 CO -0.00 -0.59 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.17 1wh4 h LEU 29 N -0.92 -0.27 -2.30 2.94 -0.00 -0.86 -1.18 115.31 112.71 1wh4 h LEU 29 Ca -0.07 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1wh4 h LEU 29 Cb 0.76 0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1wh4 h LEU 29 CO 0.06 -0.09 -0.01 -1.28 -0.00 0.00 0.00 178.44 177.11 1wh4 h SER 30 N 0.06 0.00 0.37 -0.43 0.87 -1.22 -1.29 113.55 111.92 1wh4 h SER 30 Ca 0.22 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1wh4 h SER 30 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1wh4 h SER 30 CO -0.40 0.01 -0.16 -0.78 -0.53 0.00 0.00 176.83 174.97 1wh4 h ASP 31 N 0.00 0.00 0.00 6.23 1.82 -0.84 -0.60 116.42 123.03 1wh4 h ASP 31 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1wh4 h ASP 31 Cb 0.02 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 1wh4 h ASP 31 CO 0.00 0.16 -1.66 0.49 -1.61 0.00 0.00 179.24 176.62 1wh4 n PHE 32 N -3.77 0.00 -0.03 0.28 3.72 -0.58 -4.51 117.46 112.56 1wh4 n PHE 32 Ca -0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 1wh4 n PHE 32 Cb 0.27 -0.34 -0.16 0.00 -0.94 0.00 0.00 39.48 38.30 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 -2.02 0.34 0.17 4.37 2.08 -0.62 -4.29 119.36 119.38 1wh4 n ILE 33 Ca -0.04 -0.57 -0.14 0.00 0.56 0.00 0.00 62.75 62.57 1wh4 n ILE 33 Cb 0.41 -0.11 -0.07 0.00 -0.75 0.00 0.00 39.64 39.12 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 -0.58 -3.98 4.38 3.58 -1.33 0.13 116.42 118.63 1wh4 h ASP 34 Ca -0.13 0.05 -0.46 0.00 0.42 0.00 0.00 57.03 56.90 1wh4 h ASP 34 Cb 1.27 0.20 0.15 0.00 1.72 0.00 0.00 39.33 42.67 1wh4 h ASP 34 CO 0.01 -0.33 0.22 -2.16 -2.88 0.00 0.00 179.24 174.10 1wh4 s PRO 35 N -6.09 0.78 -0.83 0.28 0.04 -1.26 -3.54 135.00 124.37 1wh4 s PRO 35 Ca -0.16 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1wh4 s PRO 35 Cb 0.06 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1wh4 s PRO 35 CO 0.65 -2.51 0.00 1.04 0.04 0.00 0.00 177.00 176.21 1wh4 n GLN 36 N -4.04 -1.68 -3.80 4.56 6.02 -1.26 -1.30 117.38 115.88 1wh4 n GLN 36 Ca 0.06 0.66 -0.30 0.00 -0.01 0.00 0.00 57.00 57.41 1wh4 n GLN 36 Cb 0.57 -4.81 -0.01 0.00 1.02 0.00 0.00 30.24 27.01 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 -0.62 -3.76 -0.29 -1.09 1.02 -1.23 -4.86 120.64 109.81 1wh4 n GLU 37 Ca -0.08 0.46 0.18 0.00 -0.02 0.00 0.00 57.16 57.70 1wh4 n GLU 37 Cb 0.45 -5.22 0.46 0.00 -0.02 0.00 0.00 31.44 27.11 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 -1.40 1.16 0.98 0.62 0.00 -0.36 -0.22 103.07 103.86 1wh4 h GLY 38 Ca -0.52 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1wh4 h GLY 38 CO 0.65 -0.04 0.06 0.11 0.00 0.00 0.00 176.54 177.32 1wh4 h TRP 39 N 0.50 0.88 -0.60 5.60 5.08 -1.28 0.99 115.95 127.12 1wh4 h TRP 39 Ca 0.52 -0.13 -0.03 0.00 1.08 0.00 0.00 58.89 60.33 1wh4 h TRP 39 Cb 1.16 -0.24 -0.03 0.00 -3.00 0.00 0.00 29.16 27.06 1wh4 h TRP 39 CO -0.00 0.81 0.25 0.87 -1.28 0.00 0.00 178.44 179.09 1wh4 h LYS 40 N 0.69 0.86 0.14 0.12 1.57 -1.39 -1.56 116.57 117.00 1wh4 h LYS 40 Ca 0.15 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1wh4 h LYS 40 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wh4 h LYS 40 CO 0.01 0.69 -0.07 0.87 -0.57 0.00 0.00 179.45 180.39 1wh4 h LYS 41 N 0.85 -0.18 0.19 3.15 1.57 -0.89 -2.29 116.57 118.98 1wh4 h LYS 41 Ca 0.20 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1wh4 h LYS 41 Cb 0.14 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1wh4 h LYS 41 CO -0.02 0.22 -0.09 1.25 -0.57 0.00 0.00 179.45 180.24 1wh4 h LEU 42 N -0.63 -0.21 -0.38 2.94 7.12 -0.77 -1.17 115.31 122.20 1wh4 h LEU 42 Ca -0.02 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.05 1wh4 h LEU 42 Cb 0.48 0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 40.60 1wh4 h LEU 42 CO 0.03 -0.13 0.01 0.00 -0.13 0.00 0.00 178.44 178.22 1wh4 h ALA 43 N 0.53 0.35 0.00 1.25 0.00 -1.37 -1.73 119.26 118.30 1wh4 h ALA 43 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wh4 h ALA 43 Cb 0.22 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wh4 h ALA 43 CO 0.04 -0.39 0.00 -0.24 0.00 0.00 0.00 179.25 178.66 1wh4 h VAL 44 N 0.11 0.00 -0.01 0.00 3.04 -1.24 -2.56 116.25 115.59 1wh4 h VAL 44 Ca 0.19 -0.56 -0.21 0.00 -1.01 0.00 0.00 66.70 65.11 1wh4 h VAL 44 Cb 0.26 1.53 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1wh4 h VAL 44 CO -0.30 0.00 -0.89 0.00 -1.01 0.00 0.00 177.57 175.37 1wh4 h ALA 45 N 2.03 0.44 -1.97 3.17 0.00 -0.38 -3.44 119.26 119.11 1wh4 h ALA 45 Ca 0.00 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 1wh4 h ALA 45 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1wh4 h ALA 45 CO 0.00 0.83 1.17 0.42 0.00 0.00 0.00 179.25 181.67 1wh4 s ILE 46 N -3.31 3.64 0.17 0.00 1.01 -0.75 -5.00 121.20 116.97 1wh4 s ILE 46 Ca -0.05 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.36 1wh4 s ILE 46 Cb 0.09 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1wh4 s ILE 46 CO 0.85 -0.36 0.09 -0.54 0.00 0.00 0.00 174.94 174.98 1wh4 s LYS 47 N 4.98 2.73 1.05 2.79 -0.14 -1.26 -2.81 119.74 127.08 1wh4 s LYS 47 Ca 0.73 -0.96 -0.12 0.00 -1.36 0.00 0.00 55.97 54.26 1wh4 s LYS 47 Cb -0.23 -2.54 0.22 0.00 -1.68 0.00 0.00 37.83 33.59 1wh4 s LYS 47 CO 0.31 0.47 1.08 0.15 -0.76 0.00 0.00 175.35 176.59 1wh4 s LYS 48 N -3.10 0.00 0.00 1.68 1.02 0.58 -4.77 119.74 115.16 1wh4 s LYS 48 Ca 0.30 1.07 0.22 0.00 0.02 0.00 0.00 55.97 57.58 1wh4 s LYS 48 Cb -0.10 -1.64 1.02 0.00 -0.52 0.00 0.00 37.83 36.59 1wh4 s LYS 48 CO 0.22 -3.17 1.71 -0.35 -0.92 0.00 0.00 175.35 172.84 1wh4 n PRO 49 N -4.56 0.15 0.14 -1.68 -0.04 -1.26 -0.51 135.00 127.24 1wh4 n PRO 49 Ca 0.06 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1wh4 n PRO 49 Cb 0.54 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1wh4 n PRO 49 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wh4 h SER 50 N 0.00 0.00 0.00 3.54 0.02 -2.05 -3.48 113.55 111.58 1wh4 h SER 50 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wh4 h SER 50 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1wh4 h SER 50 CO 0.00 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1wh4 n GLY 51 N 1.18 1.06 3.79 -3.77 0.00 0.33 -5.14 105.19 102.65 1wh4 n GLY 51 Ca 0.01 0.00 -0.30 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 -1.35 4.19 -0.14 1.61 1.01 -1.25 -4.60 116.67 116.13 1wh4 s ASP 52 Ca 0.00 1.29 -0.29 0.00 0.71 0.00 0.00 52.55 54.26 1wh4 s ASP 52 Cb 0.00 -1.99 -0.05 0.00 1.01 0.00 0.00 42.92 41.89 1wh4 s ASP 52 CO 0.00 -2.16 1.87 -1.81 0.21 0.00 0.00 175.17 173.28 1wh4 s ASP 53 N -3.85 6.17 0.07 0.27 1.11 -1.26 -0.30 116.67 118.88 1wh4 s ASP 53 Ca 0.62 2.01 -0.22 0.00 0.18 0.00 0.00 52.55 55.13 1wh4 s ASP 53 Cb -0.15 -2.53 -0.12 0.00 1.07 0.00 0.00 42.92 41.19 1wh4 s ASP 53 CO 0.54 -1.37 1.60 0.03 1.18 0.00 0.00 175.17 177.15 1wh4 h ARG 54 N 11.77 0.17 -2.15 8.23 3.08 -1.82 -3.37 114.38 130.28 1wh4 h ARG 54 Ca -0.40 -0.03 -0.59 0.00 0.07 0.00 0.00 59.98 59.03 1wh4 h ARG 54 Cb 1.20 -0.03 -0.41 0.00 0.08 0.00 0.00 29.97 30.81 1wh4 h ARG 54 CO 0.97 0.29 -0.70 0.66 -1.07 0.00 0.00 179.97 180.12 1wh4 n TYR 55 N -4.90 2.79 -0.65 3.04 4.01 -1.26 -5.01 117.16 115.17 1wh4 n TYR 55 Ca -0.06 -4.03 -0.31 0.00 -0.16 0.00 0.00 57.90 53.35 1wh4 n TYR 55 Cb 0.12 -0.51 0.28 0.00 -0.31 0.00 0.00 39.34 38.91 1wh4 n TYR 55 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1wh4 s ASN 56 N -2.20 -0.54 0.40 7.72 4.22 -1.26 -4.45 114.94 118.83 1wh4 s ASN 56 Ca 0.39 0.67 0.12 0.00 -2.14 0.00 0.00 52.86 51.90 1wh4 s ASN 56 Cb 0.15 -0.90 0.94 0.00 1.28 0.00 0.00 41.25 42.73 1wh4 s ASN 56 CO -0.03 -5.02 1.92 1.56 -2.04 0.00 0.00 177.10 173.48 1wh4 h GLN 57 N -3.19 0.52 -0.76 3.55 4.20 -1.98 0.13 115.11 117.58 1wh4 h GLN 57 Ca -0.42 -0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.40 1wh4 h GLN 57 Cb 1.32 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.88 1wh4 h GLN 57 CO 0.27 0.34 0.31 0.35 -0.67 0.00 0.00 178.83 179.43 1wh4 h PHE 58 N 0.54 0.53 0.04 2.96 3.57 -2.00 -0.88 116.94 121.68 1wh4 h PHE 58 Ca 0.37 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.66 1wh4 h PHE 58 Cb 0.68 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.33 1wh4 h PHE 58 CO -0.00 0.07 -0.97 0.45 -2.23 0.00 0.00 178.31 175.63 1wh4 h HIS 59 N 0.45 0.90 -0.91 0.41 3.86 -1.07 -3.28 115.15 115.51 1wh4 h HIS 59 Ca 0.41 -0.52 0.11 0.00 -1.16 0.00 0.00 60.37 59.21 1wh4 h HIS 59 Cb 0.62 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 28.93 1wh4 h HIS 59 CO -0.16 1.36 0.58 0.82 0.86 0.00 0.00 177.93 181.39 1wh4 h ILE 60 N 0.19 0.95 -0.26 2.45 1.08 -0.77 -1.35 117.51 119.79 1wh4 h ILE 60 Ca -0.13 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 1wh4 h ILE 60 Cb 1.65 -0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 1wh4 h ILE 60 CO 0.19 0.16 -0.10 0.03 -0.69 0.00 0.00 178.15 177.74 1wh4 h ARG 61 N 0.88 0.43 0.12 2.37 2.47 -1.24 0.18 114.38 119.59 1wh4 h ARG 61 Ca 0.43 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.03 1wh4 h ARG 61 Cb 0.46 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1wh4 h ARG 61 CO -0.19 0.54 -0.06 0.00 0.56 0.00 0.00 179.97 180.82 1wh4 h ARG 62 N 0.41 -0.16 -0.62 0.04 2.47 -1.37 -2.92 114.38 112.23 1wh4 h ARG 62 Ca 0.08 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1wh4 h ARG 62 Cb 0.43 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 1wh4 h ARG 62 CO 0.02 0.12 0.41 0.74 0.56 0.00 0.00 179.97 181.82 1wh4 h PHE 63 N -0.42 0.71 -0.16 3.04 0.04 -0.61 0.04 116.94 119.59 1wh4 h PHE 63 Ca -0.02 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1wh4 h PHE 63 Cb 0.34 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 1wh4 h PHE 63 CO 0.01 0.42 -0.12 0.93 -0.60 0.00 0.00 178.31 178.95 1wh4 h GLU 64 N 0.74 -0.13 -0.94 1.51 5.08 -0.71 -2.71 114.58 117.42 1wh4 h GLU 64 Ca 0.25 0.01 0.23 0.00 -1.00 0.00 0.00 59.36 58.84 1wh4 h GLU 64 Cb 0.07 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 1wh4 h GLU 64 CO -0.07 -0.09 0.63 0.00 -1.00 0.00 0.00 179.01 178.48 1wh4 h ALA 65 N 0.98 2.30 0.93 3.43 0.00 -0.78 0.29 119.26 126.42 1wh4 h ALA 65 Ca 0.10 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wh4 h ALA 65 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1wh4 h ALA 65 CO -0.24 -0.61 -0.49 -0.07 0.00 0.00 0.00 179.25 177.84 1wh4 h LEU 66 N 0.35 -1.18 -1.84 0.00 3.38 -1.40 -2.30 115.31 112.32 1wh4 h LEU 66 Ca 0.49 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.49 1wh4 h LEU 66 Cb 1.33 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1wh4 h LEU 66 CO -0.18 -0.80 -0.13 0.17 0.09 0.00 0.00 178.44 177.59 1wh4 h LEU 67 N -1.30 0.00 0.60 1.67 8.10 -0.64 0.17 115.31 123.90 1wh4 h LEU 67 Ca -0.13 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.83 1wh4 h LEU 67 Cb 1.01 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.24 1wh4 h LEU 67 CO 0.18 0.13 -0.29 1.56 -4.11 0.00 0.00 178.44 175.92 1wh4 h GLN 68 N 0.00 -0.77 0.00 0.17 1.08 -0.96 -2.67 115.11 111.96 1wh4 h GLN 68 Ca -0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1wh4 h GLN 68 Cb 0.26 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1wh4 h GLN 68 CO 0.02 -0.46 0.00 -2.37 -0.95 0.00 0.00 178.83 175.06 1wh4 n THR 69 N -5.37 0.85 0.00 -0.54 5.66 -0.87 -4.89 114.28 109.12 1wh4 n THR 69 Ca -0.12 0.24 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1wh4 n THR 69 Cb 0.35 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 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 -0.03 0.75 3.78 1.09 0.00 0.22 -5.09 105.19 105.91 1wh4 n GLY 70 Ca 0.02 0.00 -0.36 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 -0.85 4.20 0.03 1.61 1.02 0.34 -4.89 119.74 121.21 1wh4 s LYS 71 Ca 0.00 1.48 -0.30 0.00 0.02 0.00 0.00 55.97 57.17 1wh4 s LYS 71 Cb 0.00 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.68 1wh4 s LYS 71 CO 0.00 -0.10 1.71 -1.12 -0.92 0.00 0.00 175.35 174.92 1wh4 s SER 72 N -1.59 6.58 0.24 2.83 0.01 -1.26 -2.37 113.70 118.14 1wh4 s SER 72 Ca 0.57 2.47 -0.02 0.00 1.31 0.00 0.00 55.95 60.28 1wh4 s SER 72 Cb -0.21 -2.55 0.28 0.00 0.21 0.00 0.00 66.02 63.75 1wh4 s SER 72 CO 0.27 -0.93 1.68 1.55 0.41 0.00 0.00 173.24 176.22 1wh4 h PRO 73 N 9.02 0.68 -0.33 12.44 0.13 -1.88 -3.28 132.00 148.78 1wh4 h PRO 73 Ca -0.43 -0.25 0.03 0.00 -0.87 0.00 0.00 66.00 64.47 1wh4 h PRO 73 Cb 1.20 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1wh4 h PRO 73 CO 0.94 0.83 0.14 1.15 -0.23 0.00 0.00 178.00 180.83 1wh4 h THR 74 N 0.60 0.96 -0.04 1.56 2.02 -1.92 0.12 112.91 116.21 1wh4 h THR 74 Ca 0.09 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1wh4 h THR 74 Cb 0.67 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1wh4 h THR 74 CO 0.05 0.06 0.03 0.00 0.37 0.00 0.00 175.52 176.02 1wh4 h GLU 76 N 0.05 -0.26 -0.11 0.00 4.39 -1.56 -1.16 114.58 115.93 1wh4 h GLU 76 Ca 0.01 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1wh4 h GLU 76 Cb -0.00 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 1wh4 h GLU 76 CO -0.00 -0.18 -0.36 1.25 -1.16 0.00 0.00 179.01 178.56 1wh4 h LEU 77 N -0.27 -1.11 -1.01 1.33 5.85 -0.59 -1.06 115.31 118.44 1wh4 h LEU 77 Ca -0.02 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1wh4 h LEU 77 Cb 0.23 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1wh4 h LEU 77 CO 0.01 -0.39 0.21 -0.07 -0.34 0.00 0.00 178.44 177.86 1wh4 h LEU 78 N -0.45 0.85 0.03 2.25 3.38 -1.02 0.17 115.31 120.52 1wh4 h LEU 78 Ca 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1wh4 h LEU 78 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1wh4 h LEU 78 CO -0.36 0.79 -0.02 0.15 0.09 0.00 0.00 178.44 179.09 1wh4 h PHE 79 N 0.89 -0.04 -0.33 1.13 3.04 -0.53 -0.15 116.94 120.95 1wh4 h PHE 79 Ca 0.20 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.01 1wh4 h PHE 79 Cb 0.23 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 1wh4 h PHE 79 CO 0.02 0.19 -0.37 0.22 -2.02 0.00 0.00 178.31 176.35 1wh4 h ASP 80 N -0.27 0.90 0.57 0.41 3.58 -1.11 -1.96 116.42 118.54 1wh4 h ASP 80 Ca -0.00 -0.48 -0.03 0.00 0.42 0.00 0.00 57.03 56.94 1wh4 h ASP 80 Cb 0.25 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 1wh4 h ASP 80 CO 0.01 1.20 -0.13 -0.25 -2.88 0.00 0.00 179.24 177.19 1wh4 h TRP 81 N 0.62 0.00 0.15 0.28 7.01 -0.70 0.56 115.95 123.87 1wh4 h TRP 81 Ca 0.05 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1wh4 h TRP 81 Cb 0.95 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.99 1wh4 h TRP 81 CO 0.07 0.13 -0.18 0.78 -2.79 0.00 0.00 178.44 176.44 1wh4 h GLY 82 N 1.26 -0.36 2.00 2.65 0.00 -0.39 -2.97 103.07 105.26 1wh4 h GLY 82 Ca -0.00 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.51 1wh4 h GLY 82 CO 0.02 -0.18 -0.12 0.00 0.00 0.00 0.00 176.54 176.26 1wh4 h THR 83 N -0.38 0.46 0.00 4.70 1.03 -0.38 -1.76 112.91 116.59 1wh4 h THR 83 Ca 0.01 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.80 1wh4 h THR 83 Cb 0.37 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 68.87 1wh4 h THR 83 CO -0.07 0.12 0.00 0.74 -0.01 0.00 0.00 175.52 176.30 1wh4 h THR 84 N 0.00 0.00 -3.98 0.00 2.02 -0.80 -3.48 112.91 106.68 1wh4 h THR 84 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1wh4 h THR 84 Cb 0.41 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1wh4 h THR 84 CO 0.02 0.00 -0.02 0.59 0.37 0.00 0.00 175.52 176.47 1wh4 n ASN 85 N -2.40 -4.43 -3.90 4.18 4.13 -0.66 -5.09 115.26 107.10 1wh4 n ASN 85 Ca 0.01 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.02 1wh4 n ASN 85 Cb 0.17 -2.80 -0.06 0.00 -1.54 0.00 0.00 39.78 35.55 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 -2.71 1.20 0.28 0.00 -4.23 -1.26 -3.26 115.64 105.67 1wh4 s THR 87 Ca 0.09 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1wh4 s THR 87 Cb 0.00 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.44 1wh4 s THR 87 CO 0.06 -0.19 1.80 0.58 -0.54 0.00 0.00 174.62 176.32 1wh4 h VAL 88 N 2.30 1.23 -0.50 2.29 2.07 -0.23 -0.84 116.25 122.57 1wh4 h VAL 88 Ca -0.39 -0.93 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 1wh4 h VAL 88 Cb 1.23 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1wh4 h VAL 88 CO 0.67 0.33 0.16 1.23 0.02 0.00 0.00 177.57 179.97 1wh4 h GLY 89 N 0.94 0.78 1.00 2.17 0.00 -0.80 0.55 103.07 107.71 1wh4 h GLY 89 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1wh4 h GLY 89 CO 0.02 0.39 0.07 -1.80 0.00 0.00 0.00 176.54 175.21 1wh4 h ASP 90 N 0.72 0.12 0.33 0.19 1.82 -1.47 -1.36 116.42 116.77 1wh4 h ASP 90 Ca 0.17 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1wh4 h ASP 90 Cb 0.21 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1wh4 h ASP 90 CO -0.01 0.09 -0.40 0.25 -1.61 0.00 0.00 179.24 177.57 1wh4 h LEU 91 N 0.14 -1.10 -0.55 2.28 5.85 -0.45 -2.01 115.31 119.47 1wh4 h LEU 91 Ca 0.04 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.97 1wh4 h LEU 91 Cb -0.01 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 1wh4 h LEU 91 CO -0.01 -0.53 -0.20 0.58 -0.34 0.00 0.00 178.44 177.95 1wh4 h VAL 92 N -0.77 0.36 -0.05 1.05 2.07 -0.90 0.67 116.25 118.68 1wh4 h VAL 92 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1wh4 h VAL 92 Cb 0.71 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 1wh4 h VAL 92 CO -0.11 0.00 -0.18 -0.78 0.02 0.00 0.00 177.57 176.52 1wh4 h ASP 93 N -0.07 -0.54 -0.69 0.57 1.82 -0.72 -0.87 116.42 115.93 1wh4 h ASP 93 Ca 0.26 0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 56.92 1wh4 h ASP 93 Cb 0.46 0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 1wh4 h ASP 93 CO -0.60 -0.24 0.19 -0.07 -1.61 0.00 0.00 179.24 176.91 1wh4 h LEU 94 N -0.27 1.03 -0.30 2.28 3.38 -1.12 -2.70 115.31 117.61 1wh4 h LEU 94 Ca 0.07 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1wh4 h LEU 94 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1wh4 h LEU 94 CO -0.21 0.98 0.16 -0.07 0.09 0.00 0.00 178.44 179.39 1wh4 h LEU 95 N 1.02 0.24 -1.38 1.67 3.38 0.00 -1.08 115.31 119.17 1wh4 h LEU 95 Ca 0.22 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1wh4 h LEU 95 Cb 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1wh4 h LEU 95 CO -0.00 0.18 0.34 0.58 0.09 0.00 0.00 178.44 179.63 1wh4 h VAL 96 N 0.33 1.16 -0.30 1.22 2.07 -1.14 0.79 116.25 120.37 1wh4 h VAL 96 Ca 0.12 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 1wh4 h VAL 96 Cb 0.02 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1wh4 h VAL 96 CO -0.07 0.17 -0.17 -0.61 0.02 0.00 0.00 177.57 176.90 1wh4 h GLN 97 N 0.78 0.54 -0.16 1.57 4.15 -0.90 -2.48 115.11 118.62 1wh4 h GLN 97 Ca 0.21 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1wh4 h GLN 97 Cb -0.04 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1wh4 h GLN 97 CO -0.04 0.70 0.00 0.44 -1.93 0.00 0.00 178.83 178.00 1wh4 n ILE 98 N -4.16 0.20 -0.65 2.39 -5.35 -0.62 -4.92 119.36 106.25 1wh4 n ILE 98 Ca 0.00 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1wh4 n ILE 98 Cb 0.36 0.36 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 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 0.29 0.00 -2.82 6.28 2.13 -0.93 -5.00 120.64 120.59 1wh4 n GLU 99 Ca 0.16 0.01 -0.43 0.00 0.66 0.00 0.00 57.16 57.56 1wh4 n GLU 99 Cb 0.33 -1.96 0.01 0.00 0.27 0.00 0.00 31.44 30.08 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 0.00 6.45 -0.09 4.31 7.99 0.25 -4.79 117.00 131.12 1wh4 n LEU 100 Ca 0.00 -5.04 -0.13 0.00 -0.01 0.00 0.00 56.01 50.83 1wh4 n LEU 100 Cb 0.00 -1.34 -0.04 0.00 -0.11 0.00 0.00 43.42 41.92 1wh4 n LEU 100 CO 0.00 1.58 0.56 -0.26 -1.51 0.00 0.00 177.39 177.76 1wh4 h PHE 101 N 5.59 0.85 -0.40 -1.77 0.04 -1.89 -3.05 116.94 116.31 1wh4 h PHE 101 Ca 0.26 -0.26 0.08 0.00 2.80 0.00 0.00 57.97 60.84 1wh4 h PHE 101 Cb 0.63 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 38.51 1wh4 h PHE 101 CO 1.08 1.01 -0.33 0.00 -0.60 0.00 0.00 178.31 179.47 1wh4 h ALA 102 N 0.70 -0.19 -0.11 2.45 0.00 -1.96 0.16 119.26 120.31 1wh4 h ALA 102 Ca 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1wh4 h ALA 102 Cb 0.87 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1wh4 h ALA 102 CO 0.07 -0.73 -0.46 -1.00 0.00 0.00 0.00 179.25 177.14 1wh4 h PRO 103 N -0.26 0.27 -0.41 0.00 0.13 -1.93 -2.14 132.00 127.67 1wh4 h PRO 103 Ca 0.17 -0.14 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 1wh4 h PRO 103 Cb 0.54 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.62 1wh4 h PRO 103 CO -0.54 0.68 0.12 0.00 -0.23 0.00 0.00 178.00 178.03 1wh4 h ALA 104 N 1.30 0.47 -0.39 -0.56 0.00 -1.14 -2.40 119.26 116.54 1wh4 h ALA 104 Ca 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1wh4 h ALA 104 Cb 0.90 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1wh4 h ALA 104 CO 0.07 -0.28 -0.22 1.15 0.00 0.00 0.00 179.25 179.97 1wh4 h THR 105 N 0.26 1.27 -0.80 0.00 2.02 -0.57 -0.13 112.91 114.96 1wh4 h THR 105 Ca 0.19 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 1wh4 h THR 105 Cb 0.21 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1wh4 h THR 105 CO -0.22 0.44 0.46 0.25 0.37 0.00 0.00 175.52 176.82 1wh4 h LEU 106 N 0.68 0.98 0.08 2.58 5.85 -1.05 -2.01 115.31 122.42 1wh4 h LEU 106 Ca 0.09 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1wh4 h LEU 106 Cb 0.73 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1wh4 h LEU 106 CO 0.06 0.78 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.82 1wh4 h LEU 107 N 1.12 -0.09 -6.25 2.25 3.38 -1.16 -3.45 115.31 111.10 1wh4 h LEU 107 Ca 0.29 -0.51 -0.33 0.00 0.09 0.00 0.00 57.88 57.42 1wh4 h LEU 107 Cb -0.00 0.02 -0.29 0.00 0.09 0.00 0.00 40.66 40.48 1wh4 h LEU 107 CO -0.05 0.56 -0.66 -0.22 0.09 0.00 0.00 178.44 178.15 1wh4 s LEU 108 N -8.79 -0.22 0.36 1.67 0.20 -0.09 -3.31 118.68 108.51 1wh4 s LEU 108 Ca -0.14 -1.58 0.15 0.00 0.69 0.00 0.00 54.13 53.26 1wh4 s LEU 108 Cb -0.00 0.74 0.68 0.00 -0.43 0.00 0.00 46.19 47.18 1wh4 s LEU 108 CO 0.52 -0.23 1.77 1.55 -0.29 0.00 0.00 176.35 179.66 1wh4 h PRO 109 N 6.87 0.00 -0.23 0.98 0.13 -1.55 -2.78 132.00 135.42 1wh4 h PRO 109 Ca 0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1wh4 h PRO 109 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1wh4 h PRO 109 CO 0.18 0.41 -0.45 -0.44 -0.23 0.00 0.00 178.00 177.48 1wh4 h ASP 110 N 0.00 0.61 0.65 1.44 5.19 -1.93 -3.36 116.42 119.02 1wh4 h ASP 110 Ca -0.00 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 1wh4 h ASP 110 Cb 0.81 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 40.15 1wh4 h ASP 110 CO 0.05 0.97 -0.31 0.00 -3.12 0.00 0.00 179.24 176.84 1wh4 h ALA 111 N 1.05 -0.87 -2.46 3.45 0.00 -1.86 -3.44 119.26 115.13 1wh4 h ALA 111 Ca 0.03 -0.20 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 1wh4 h ALA 111 Cb 0.96 0.34 0.06 0.00 0.00 0.00 0.00 17.79 19.14 1wh4 h ALA 111 CO 0.09 -0.83 0.94 1.55 0.00 0.00 0.00 179.25 181.00 1wh4 n VAL 112 N -5.36 0.06 -1.90 0.00 3.14 -1.24 -4.90 118.33 108.12 1wh4 n VAL 112 Ca -0.11 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.84 1wh4 n VAL 112 Cb 0.35 -1.82 -0.03 0.00 -1.06 0.00 0.00 33.84 31.29 1wh4 n VAL 112 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1wh4 s PRO 113 N 1.32 4.19 1.06 1.45 0.04 -1.26 -5.01 135.00 136.79 1wh4 s PRO 113 Ca 0.78 2.38 -0.14 0.00 0.04 0.00 0.00 61.00 64.06 1wh4 s PRO 113 Cb -0.58 -3.46 0.22 0.00 0.04 0.00 0.00 34.50 30.72 1wh4 s PRO 113 CO 0.36 -0.71 1.09 -0.65 0.04 0.00 0.00 177.00 177.12 1wh4 s GLN 114 N 2.19 -0.07 -0.03 4.56 -0.21 -1.26 -5.09 119.66 119.75 1wh4 s GLN 114 Ca 0.74 0.40 0.07 0.00 0.02 0.00 0.00 55.36 56.59 1wh4 s GLN 114 Cb -0.42 -1.69 -0.02 0.00 1.00 0.00 0.00 33.01 31.88 1wh4 s GLN 114 CO 0.32 -3.04 -0.24 0.99 -2.12 0.00 0.00 175.29 171.20 1wh4 s THR 115 N -2.94 1.93 -0.37 -0.19 2.01 -1.26 -5.07 115.64 109.75 1wh4 s THR 115 Ca 0.67 -1.03 -0.34 0.00 0.31 0.00 0.00 61.69 61.30 1wh4 s THR 115 Cb -0.17 -1.61 -0.11 0.00 0.01 0.00 0.00 72.50 70.62 1wh4 s THR 115 CO 0.58 0.54 2.23 0.55 -0.69 0.00 0.00 174.62 177.83 1wh4 n VAL 116 N 2.61 0.18 -1.65 3.82 3.14 -1.26 -4.93 118.33 120.24 1wh4 n VAL 116 Ca -0.16 -0.31 -0.46 0.00 -2.96 0.00 0.00 64.34 60.45 1wh4 n VAL 116 Cb 0.52 -1.78 -0.03 0.00 -1.06 0.00 0.00 33.84 31.48 1wh4 n VAL 116 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1wh4 n LYS 117 N 8.33 1.90 -3.46 1.45 0.00 -1.26 -3.20 118.16 121.92 1wh4 n LYS 117 Ca 0.41 0.68 -0.15 0.00 -0.00 0.00 0.00 58.31 59.25 1wh4 n LYS 117 Cb 0.27 -2.34 0.01 0.00 -0.00 0.00 0.00 35.03 32.97 1wh4 n LYS 117 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1wh4 n SER 118 N 2.40 -6.20 -4.63 -5.58 7.64 -1.26 -4.93 113.62 101.06 1wh4 n SER 118 Ca 0.13 -0.58 -0.47 0.00 1.01 0.00 0.00 58.87 58.95 1wh4 n SER 118 Cb 0.29 -3.47 -0.04 0.00 -1.01 0.00 0.00 64.21 59.99 1wh4 n SER 118 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wh4 n LEU 119 N -2.44 2.45 -4.78 -3.43 7.94 -1.19 -4.95 117.00 110.60 1wh4 n LEU 119 Ca -0.15 1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 55.55 1wh4 n LEU 119 Cb 0.60 -1.33 0.08 0.00 0.53 0.00 0.00 43.42 43.29 1wh4 n LEU 119 CO 0.59 -0.72 0.71 -2.16 -1.11 0.00 0.00 177.39 174.70 1wh4 s PRO 120 N 0.16 2.48 -0.97 1.96 0.04 -1.26 -4.94 135.00 132.46 1wh4 s PRO 120 Ca 0.76 1.14 -0.24 0.00 0.04 0.00 0.00 61.00 62.70 1wh4 s PRO 120 Cb -0.77 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 31.85 1wh4 s PRO 120 CO 0.46 -1.47 1.71 -1.25 0.04 0.00 0.00 177.00 176.50 1wh4 s PRO 121 N -4.84 3.06 -0.65 0.56 0.04 -1.26 -4.94 135.00 126.96 1wh4 s PRO 121 Ca 0.61 -0.73 -0.30 0.00 0.04 0.00 0.00 61.00 60.63 1wh4 s PRO 121 Cb -0.17 -5.21 -0.13 0.00 0.04 0.00 0.00 34.50 29.03 1wh4 s PRO 121 CO 0.54 -2.83 2.48 0.43 0.04 0.00 0.00 177.00 177.66 1wh4 n SER 122 N 11.53 1.52 -2.64 6.66 7.64 -1.26 -4.92 113.62 132.14 1wh4 n SER 122 Ca 0.37 -0.07 -0.07 0.00 1.01 0.00 0.00 58.87 60.12 1wh4 n SER 122 Cb 0.49 -1.27 0.04 0.00 -1.01 0.00 0.00 64.21 62.45 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 6.31 0.27 3.63 0.23 0.00 -1.26 -5.09 105.19 109.27 1wh4 n GLY 123 Ca 0.49 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.27 0.00 -0.17 1.61 0.04 -1.26 -5.09 135.00 126.86 1wh4 s PRO 124 Ca 0.18 0.57 -0.09 0.00 0.04 0.00 0.00 61.00 61.70 1wh4 s PRO 124 Cb -0.01 -1.68 0.06 0.00 0.04 0.00 0.00 34.50 32.91 1wh4 s PRO 124 CO 0.12 -3.03 0.42 -1.54 0.04 0.00 0.00 177.00 173.01 1wh4 s SER 125 N -3.23 -0.53 0.23 6.66 1.04 -1.26 -5.10 113.70 111.51 1wh4 s SER 125 Ca 0.66 0.91 0.00 0.00 0.48 0.00 0.00 55.95 58.00 1wh4 s SER 125 Cb -0.20 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1wh4 s SER 125 CO 0.59 -0.19 0.00 -0.24 0.98 0.00 0.00 173.24 174.38 1wh4 n SER 126 N 4.25 -4.99 -0.28 7.02 2.88 -1.26 -5.36 113.62 115.88 1wh4 n SER 126 Ca -0.23 0.43 0.04 0.00 -1.33 0.00 0.00 58.87 57.77 1wh4 n SER 126 Cb 0.55 -2.59 0.03 0.00 -0.75 0.00 0.00 64.21 61.45 1wh4 n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42