#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg4 h GLN 3 N 0.00 -0.28 -0.02 4.33 4.15 -1.99 -3.20 115.11 118.09 1sg4 h GLN 3 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1sg4 h GLN 3 Cb 0.00 0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1sg4 h GLN 3 CO 0.00 -0.19 -0.21 0.54 -1.93 0.00 0.00 178.83 177.04 1sg4 n ARG 4 N -5.35 1.56 -3.90 1.69 5.12 -1.26 -4.70 116.66 109.82 1sg4 n ARG 4 Ca -0.03 -1.19 -0.29 0.00 -1.93 0.00 0.00 57.85 54.41 1sg4 n ARG 4 Cb 0.26 -1.48 -0.16 0.00 -1.16 0.00 0.00 32.46 29.92 1sg4 n ARG 4 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sg4 s VAL 5 N -2.26 1.19 -0.28 1.55 1.01 -1.21 -0.40 120.40 120.01 1sg4 s VAL 5 Ca 0.26 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.29 1sg4 s VAL 5 Cb 0.19 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1sg4 s VAL 5 CO 0.44 0.06 0.52 -0.22 0.00 0.00 0.00 175.10 175.90 1sg4 s LEU 6 N 1.58 4.10 -0.30 3.92 2.96 -0.09 -3.49 118.68 127.36 1sg4 s LEU 6 Ca -0.01 0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 54.20 1sg4 s LEU 6 Cb -0.16 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.84 1sg4 s LEU 6 CO -0.07 -0.33 0.20 -0.69 -1.32 0.00 0.00 176.35 174.13 1sg4 s VAL 7 N 2.34 5.18 -0.47 1.68 1.01 -1.26 0.11 120.40 128.98 1sg4 s VAL 7 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1sg4 s VAL 7 Cb -0.16 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.79 1sg4 s VAL 7 CO 0.10 0.16 0.37 -1.61 0.00 0.00 0.00 175.10 174.12 1sg4 s GLU 8 N 1.73 2.70 0.11 2.72 2.02 0.87 -4.95 118.70 123.89 1sg4 s GLU 8 Ca 0.06 -1.62 -0.22 0.00 0.02 0.00 0.00 54.97 53.21 1sg4 s GLU 8 Cb -0.16 -4.01 -0.07 0.00 0.10 0.00 0.00 34.13 29.99 1sg4 s GLU 8 CO 0.10 -1.15 0.66 -1.25 0.02 0.00 0.00 175.26 173.65 1sg4 s PRO 9 N 1.47 4.37 -0.62 0.39 0.04 -1.26 -1.00 135.00 138.39 1sg4 s PRO 9 Ca 0.04 0.92 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1sg4 s PRO 9 Cb -0.26 -3.26 0.16 0.00 0.04 0.00 0.00 34.50 31.19 1sg4 s PRO 9 CO 0.02 0.59 0.43 0.34 0.04 0.00 0.00 177.00 178.42 1sg4 s ASP 10 N -1.05 4.05 0.48 6.66 -1.08 0.70 -4.96 116.67 121.47 1sg4 s ASP 10 Ca 0.32 -3.56 0.18 0.00 -0.52 0.00 0.00 52.55 48.98 1sg4 s ASP 10 Cb -0.21 -1.36 1.20 0.00 -1.46 0.00 0.00 42.92 41.09 1sg4 s ASP 10 CO 0.22 -0.12 2.02 0.00 0.52 0.00 0.00 175.17 177.80 1sg4 h ALA 11 N 5.62 2.18 -0.45 3.66 0.00 -1.91 -0.95 119.26 127.41 1sg4 h ALA 11 Ca 0.14 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1sg4 h ALA 11 Cb 0.81 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1sg4 h ALA 11 CO 0.63 -0.30 -0.16 0.78 0.00 0.00 0.00 179.25 180.20 1sg4 h GLY 12 N 0.19 0.93 2.00 0.00 0.00 -1.92 -2.64 103.07 101.63 1sg4 h GLY 12 Ca 0.22 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1sg4 h GLY 12 CO -0.04 0.69 0.00 0.00 0.00 0.00 0.00 176.54 177.20 1sg4 h ALA 13 N 1.06 1.00 -0.06 3.60 0.00 -1.76 -3.47 119.26 119.62 1sg4 h ALA 13 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1sg4 h ALA 13 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1sg4 h ALA 13 CO 0.05 0.00 -0.03 0.41 0.00 0.00 0.00 179.25 179.68 1sg4 n GLY 14 N 1.19 0.51 3.36 0.00 0.00 -0.43 -4.96 105.19 104.85 1sg4 n GLY 14 Ca 0.05 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1sg4 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sg4 s VAL 15 N -2.01 2.24 0.11 1.61 1.01 -1.07 -1.03 120.40 121.27 1sg4 s VAL 15 Ca 0.00 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.79 1sg4 s VAL 15 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1sg4 s VAL 15 CO 0.00 0.43 -0.17 0.00 0.00 0.00 0.00 175.10 175.37 1sg4 s ALA 16 N -0.76 1.60 -0.16 5.51 0.00 -0.84 -0.21 121.76 126.90 1sg4 s ALA 16 Ca 0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1sg4 s ALA 16 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1sg4 s ALA 16 CO 0.02 0.21 -0.05 0.08 0.00 0.00 0.00 175.76 176.02 1sg4 s VAL 17 N -1.65 3.69 -0.35 0.00 1.01 -0.17 -1.29 120.40 121.63 1sg4 s VAL 17 Ca 0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 1sg4 s VAL 17 Cb -0.08 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1sg4 s VAL 17 CO 0.04 0.49 0.18 -0.32 0.00 0.00 0.00 175.10 175.49 1sg4 s MET 18 N 0.49 2.92 -0.21 2.72 1.75 0.01 -0.09 119.30 126.89 1sg4 s MET 18 Ca -0.04 -1.01 -0.07 0.00 -1.25 0.00 0.00 55.69 53.32 1sg4 s MET 18 Cb -0.15 -3.65 -0.03 0.00 2.84 0.00 0.00 34.83 33.84 1sg4 s MET 18 CO 0.03 -0.63 0.05 0.15 -0.65 0.00 0.00 175.02 173.97 1sg4 s LYS 19 N 1.55 3.74 0.11 4.11 1.02 0.12 -1.70 119.74 128.67 1sg4 s LYS 19 Ca 0.02 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 1sg4 s LYS 19 Cb -0.19 -3.21 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 1sg4 s LYS 19 CO 0.06 0.01 1.12 -0.06 -0.92 0.00 0.00 175.35 175.56 1sg4 s PHE 20 N 1.05 3.55 -0.37 3.18 0.08 0.33 -0.92 117.98 124.88 1sg4 s PHE 20 Ca 0.03 1.50 0.13 0.00 0.12 0.00 0.00 56.93 58.72 1sg4 s PHE 20 Cb -0.14 -3.31 0.41 0.00 -0.57 0.00 0.00 43.02 39.41 1sg4 s PHE 20 CO 0.03 -0.77 0.90 1.17 -0.10 0.00 0.00 175.22 176.44 1sg4 n LYS 21 N 3.18 1.53 -3.53 0.44 3.00 0.46 -1.13 118.16 122.11 1sg4 n LYS 21 Ca 0.06 -3.57 -0.27 0.00 -0.00 0.00 0.00 58.31 54.52 1sg4 n LYS 21 Cb 0.47 -1.59 -0.09 0.00 0.00 0.00 0.00 35.03 33.82 1sg4 n LYS 21 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1sg4 n ASN 22 N -0.02 3.57 -4.71 3.14 5.15 -1.25 -4.42 115.26 116.72 1sg4 n ASN 22 Ca 0.19 -3.39 -0.31 0.00 -0.60 0.00 0.00 54.58 50.48 1sg4 n ASN 22 Cb 0.72 -0.69 0.13 0.00 -0.53 0.00 0.00 39.78 39.41 1sg4 n ASN 22 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1sg4 s PRO 23 N -2.24 1.51 0.10 1.20 0.04 -1.26 -0.27 135.00 134.08 1sg4 s PRO 23 Ca 0.36 1.25 0.27 0.00 0.04 0.00 0.00 61.00 62.93 1sg4 s PRO 23 Cb 0.10 -1.81 0.96 0.00 0.04 0.00 0.00 34.50 33.80 1sg4 s PRO 23 CO -0.05 -2.19 1.80 -0.35 0.04 0.00 0.00 177.00 176.24 1sg4 n PRO 24 N -3.91 0.13 -0.43 0.56 -0.04 -1.26 -4.73 135.00 125.32 1sg4 n PRO 24 Ca 0.10 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1sg4 n PRO 24 Cb 0.53 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1sg4 n PRO 24 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1sg4 n VAL 25 N -1.86 0.00 -3.99 0.52 0.24 -1.21 -4.94 118.33 107.09 1sg4 n VAL 25 Ca 0.06 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.06 1sg4 n VAL 25 Cb 0.38 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 1sg4 n VAL 25 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sg4 n ASN 26 N 0.00 -3.29 -4.76 -1.34 3.02 0.63 -1.06 115.26 108.46 1sg4 n ASN 26 Ca 0.00 -0.89 -0.39 0.00 -0.03 0.00 0.00 54.58 53.28 1sg4 n ASN 26 Cb 0.67 -3.45 0.03 0.00 -0.61 0.00 0.00 39.78 36.42 1sg4 n ASN 26 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sg4 s SER 27 N -3.58 5.58 -1.42 6.41 0.15 -1.25 -3.93 113.70 115.65 1sg4 s SER 27 Ca 0.52 2.77 -0.12 0.00 0.70 0.00 0.00 55.95 59.81 1sg4 s SER 27 Cb -0.27 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.47 1sg4 s SER 27 CO 0.87 -1.36 2.21 0.18 1.20 0.00 0.00 173.24 176.33 1sg4 n LEU 28 N -0.67 7.02 -4.70 3.45 4.77 0.53 -4.89 117.00 122.51 1sg4 n LEU 28 Ca 0.08 -4.31 -0.31 0.00 -0.03 0.00 0.00 56.01 51.45 1sg4 n LEU 28 Cb 0.44 -1.60 0.14 0.00 -2.33 0.00 0.00 43.42 40.08 1sg4 n LEU 28 CO 0.54 1.29 0.67 -0.94 -1.33 0.00 0.00 177.39 177.63 1sg4 s SER 29 N 2.43 3.43 0.27 -1.43 1.04 -1.26 -3.52 113.70 114.66 1sg4 s SER 29 Ca 0.47 1.90 -0.04 0.00 0.48 0.00 0.00 55.95 58.76 1sg4 s SER 29 Cb 0.13 -2.47 0.33 0.00 0.10 0.00 0.00 66.02 64.12 1sg4 s SER 29 CO -0.06 -2.73 1.93 0.25 0.98 0.00 0.00 173.24 173.60 1sg4 h LEU 30 N -1.61 1.09 -0.78 2.42 5.85 -1.96 0.08 115.31 120.40 1sg4 h LEU 30 Ca -0.46 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 1sg4 h LEU 30 Cb 1.26 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1sg4 h LEU 30 CO 0.48 0.77 0.35 -0.08 -0.34 0.00 0.00 178.44 179.61 1sg4 h GLU 31 N 1.27 1.14 -0.18 1.25 4.81 -1.98 0.98 114.58 121.88 1sg4 h GLU 31 Ca 0.37 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1sg4 h GLU 31 Cb -0.08 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1sg4 h GLU 31 CO -0.10 0.90 -0.05 0.35 -0.73 0.00 0.00 179.01 179.39 1sg4 h PHE 32 N 1.11 0.39 -0.85 0.92 3.57 -1.78 0.26 116.94 120.56 1sg4 h PHE 32 Ca 0.26 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.71 1sg4 h PHE 32 Cb 0.16 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1sg4 h PHE 32 CO 0.01 0.61 0.55 -0.07 -2.23 0.00 0.00 178.31 177.19 1sg4 h LEU 33 N 0.05 0.90 -0.05 0.59 3.38 -0.78 -0.17 115.31 119.23 1sg4 h LEU 33 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sg4 h LEU 33 Cb 0.49 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sg4 h LEU 33 CO 0.02 0.62 -0.01 0.74 0.09 0.00 0.00 178.44 179.90 1sg4 h THR 34 N 1.06 1.28 -0.47 0.22 2.02 -0.67 -2.33 112.91 114.02 1sg4 h THR 34 Ca 0.34 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1sg4 h THR 34 Cb 0.02 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1sg4 h THR 34 CO -0.12 0.24 0.14 -0.33 0.37 0.00 0.00 175.52 175.81 1sg4 h GLU 35 N -0.24 0.69 -0.23 6.66 5.08 -0.17 -2.09 114.58 124.28 1sg4 h GLU 35 Ca 0.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1sg4 h GLU 35 Cb 0.38 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1sg4 h GLU 35 CO 0.00 0.61 0.10 -0.07 -1.00 0.00 0.00 179.01 178.65 1sg4 h LEU 36 N 0.67 0.32 -0.53 1.33 3.38 -0.95 -1.85 115.31 117.68 1sg4 h LEU 36 Ca 0.16 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1sg4 h LEU 36 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1sg4 h LEU 36 CO -0.01 0.39 -0.26 0.58 0.09 0.00 0.00 178.44 179.23 1sg4 h VAL 37 N 0.23 1.27 -0.55 1.22 2.07 -1.19 -0.46 116.25 118.84 1sg4 h VAL 37 Ca 0.08 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1sg4 h VAL 37 Cb 0.17 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1sg4 h VAL 37 CO -0.01 0.48 0.29 0.40 0.02 0.00 0.00 177.57 178.76 1sg4 h ILE 38 N 0.78 1.19 -0.29 4.57 1.08 -1.33 0.63 117.51 124.14 1sg4 h ILE 38 Ca 0.09 -0.48 -0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1sg4 h ILE 38 Cb 0.82 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 1sg4 h ILE 38 CO 0.07 0.20 0.03 -1.28 -0.69 0.00 0.00 178.15 176.48 1sg4 h SER 39 N 0.73 0.47 -0.36 1.72 0.87 -1.17 -1.32 113.55 114.50 1sg4 h SER 39 Ca 0.19 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1sg4 h SER 39 Cb 0.06 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1sg4 h SER 39 CO -0.03 0.63 0.22 0.25 -0.53 0.00 0.00 176.83 177.37 1sg4 h LEU 40 N 0.30 0.43 -0.91 2.23 5.85 -0.87 -2.44 115.31 119.90 1sg4 h LEU 40 Ca 0.09 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1sg4 h LEU 40 Cb 0.37 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1sg4 h LEU 40 CO 0.01 0.36 0.59 -0.33 -0.34 0.00 0.00 178.44 178.72 1sg4 h GLU 41 N 0.47 1.08 -0.38 1.25 5.08 -0.65 0.49 114.58 121.92 1sg4 h GLU 41 Ca 0.13 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1sg4 h GLU 41 Cb 0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1sg4 h GLU 41 CO -0.02 0.72 -0.09 0.87 -1.00 0.00 0.00 179.01 179.49 1sg4 h LYS 42 N 1.11 0.66 -0.22 2.33 1.57 -1.07 -0.25 116.57 120.70 1sg4 h LYS 42 Ca 0.37 -0.19 -0.18 0.00 -1.87 0.00 0.00 60.65 58.78 1sg4 h LYS 42 Cb 0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1sg4 h LYS 42 CO -0.14 0.74 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.81 1sg4 h LEU 43 N 0.61 0.82 -0.06 2.94 3.38 -0.91 -0.94 115.31 121.15 1sg4 h LEU 43 Ca 0.11 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1sg4 h LEU 43 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1sg4 h LEU 43 CO 0.03 1.23 -0.09 -0.33 0.09 0.00 0.00 178.44 179.37 1sg4 h GLU 44 N 0.54 -0.13 0.00 1.13 5.08 -0.68 -3.09 114.58 117.43 1sg4 h GLU 44 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sg4 h GLU 44 Cb 1.19 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1sg4 h GLU 44 CO 0.12 -0.09 0.00 0.09 -1.00 0.00 0.00 179.01 178.14 1sg4 n ASN 45 N -5.23 0.67 -4.56 1.42 3.02 -0.13 -4.47 115.26 105.98 1sg4 n ASN 45 Ca -0.05 0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 54.67 1sg4 n ASN 45 Cb 0.15 -0.75 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 1sg4 n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sg4 s ASP 46 N -4.26 6.32 0.10 6.41 -1.08 -0.37 -4.88 116.67 118.91 1sg4 s ASP 46 Ca 0.10 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 52.05 1sg4 s ASP 46 Cb 0.13 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.47 1sg4 s ASP 46 CO 0.55 -1.62 1.26 0.29 0.52 0.00 0.00 175.17 176.17 1sg4 n LYS 47 N 8.78 0.05 0.26 4.34 5.02 -1.26 -1.22 118.16 134.12 1sg4 n LYS 47 Ca 0.06 0.50 0.14 0.00 -2.02 0.00 0.00 58.31 56.99 1sg4 n LYS 47 Cb 0.49 -1.64 0.62 0.00 -0.02 0.00 0.00 35.03 34.48 1sg4 n LYS 47 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sg4 h SER 48 N 0.00 0.00 -3.31 4.39 0.02 -1.89 -3.43 113.55 109.32 1sg4 h SER 48 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 1sg4 h SER 48 Cb 0.05 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.30 1sg4 h SER 48 CO 0.00 0.10 -0.76 -0.36 -1.14 0.00 0.00 176.83 174.67 1sg4 s PHE 49 N -3.72 2.87 0.00 3.45 0.08 -0.36 -4.10 117.98 116.20 1sg4 s PHE 49 Ca 0.00 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1sg4 s PHE 49 Cb 0.10 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1sg4 s PHE 49 CO 0.58 -0.47 0.11 0.54 -0.10 0.00 0.00 175.22 175.88 1sg4 n ARG 50 N 4.30 4.61 -3.88 0.44 1.74 -0.20 -4.78 116.66 118.89 1sg4 n ARG 50 Ca -0.19 -0.11 -0.11 0.00 -0.77 0.00 0.00 57.85 56.67 1sg4 n ARG 50 Cb 0.51 -0.58 -0.12 0.00 -1.02 0.00 0.00 32.46 31.25 1sg4 n ARG 50 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sg4 s GLY 51 N -0.69 0.04 -0.03 -0.13 0.00 -0.95 -1.22 107.32 104.34 1sg4 s GLY 51 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.67 1sg4 s GLY 51 CO 0.00 -0.13 -0.08 0.14 0.00 0.00 0.00 173.10 173.03 1sg4 s VAL 52 N -0.68 0.70 -0.21 1.40 1.01 0.02 -1.98 120.40 120.66 1sg4 s VAL 52 Ca -0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1sg4 s VAL 52 Cb -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1sg4 s VAL 52 CO 0.00 0.23 0.12 -0.63 0.00 0.00 0.00 175.10 174.82 1sg4 s ILE 53 N 0.29 5.17 -0.15 2.22 1.01 -0.41 -1.28 121.20 128.05 1sg4 s ILE 53 Ca -0.04 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.66 1sg4 s ILE 53 Cb -0.09 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1sg4 s ILE 53 CO 0.00 0.41 0.05 -0.76 0.00 0.00 0.00 174.94 174.64 1sg4 s LEU 54 N 0.65 3.80 0.19 2.97 1.02 0.18 -0.81 118.68 126.68 1sg4 s LEU 54 Ca 0.06 0.14 -0.23 0.00 0.02 0.00 0.00 54.13 54.12 1sg4 s LEU 54 Cb -0.12 -1.93 0.05 0.00 0.02 0.00 0.00 46.19 44.21 1sg4 s LEU 54 CO 0.01 0.26 0.73 0.28 0.02 0.00 0.00 176.35 177.65 1sg4 s THR 55 N -0.13 0.00 0.20 5.49 -1.32 -0.69 -0.85 115.64 118.34 1sg4 s THR 55 Ca 0.07 -0.50 -0.25 0.00 -1.21 0.00 0.00 61.69 59.80 1sg4 s THR 55 Cb -0.12 -1.54 -0.08 0.00 -1.51 0.00 0.00 72.50 69.24 1sg4 s THR 55 CO 0.01 0.00 0.80 -0.55 -2.21 0.00 0.00 174.62 172.68 1sg4 s SER 56 N -2.82 7.35 0.23 8.08 0.15 -1.26 -0.52 113.70 124.92 1sg4 s SER 56 Ca 0.07 1.66 -0.07 0.00 0.70 0.00 0.00 55.95 58.31 1sg4 s SER 56 Cb -0.03 -2.51 0.21 0.00 -1.71 0.00 0.00 66.02 61.98 1sg4 s SER 56 CO -0.02 0.14 1.87 -0.78 1.20 0.00 0.00 173.24 175.64 1sg4 h ASP 57 N 4.00 1.10 -3.49 5.45 3.58 -1.39 -3.40 116.42 122.27 1sg4 h ASP 57 Ca -0.47 -0.08 -0.65 0.00 0.42 0.00 0.00 57.03 56.24 1sg4 h ASP 57 Cb 1.20 -0.28 -0.26 0.00 1.72 0.00 0.00 39.33 41.72 1sg4 h ASP 57 CO 0.66 0.86 -0.68 -0.60 -2.88 0.00 0.00 179.24 176.59 1sg4 s ARG 58 N -5.91 3.49 0.64 0.28 3.52 -1.26 -5.05 118.95 114.65 1sg4 s ARG 58 Ca -0.13 -0.57 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 1sg4 s ARG 58 Cb 0.17 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1sg4 s ARG 58 CO 0.82 -0.18 1.20 -1.25 -0.81 0.00 0.00 175.30 175.09 1sg4 s PRO 59 N 1.49 2.69 0.00 5.12 0.04 -1.26 -4.40 135.00 138.68 1sg4 s PRO 59 Ca 0.06 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1sg4 s PRO 59 Cb -0.15 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1sg4 s PRO 59 CO -0.01 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1sg4 n GLY 60 N 0.41 3.58 2.87 0.56 0.00 0.11 -4.99 105.19 107.73 1sg4 n GLY 60 Ca 0.13 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 1sg4 n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sg4 s VAL 61 N 0.00 0.99 0.00 1.61 1.01 -1.26 -0.94 120.40 121.81 1sg4 s VAL 61 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 1sg4 s VAL 61 Cb 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 36.38 35.11 1sg4 s VAL 61 CO 0.00 0.18 1.02 0.15 0.00 0.00 0.00 175.10 176.45 1sg4 h PHE 62 N 8.16 -0.81 -2.43 5.22 3.57 -1.09 -3.44 116.94 126.12 1sg4 h PHE 62 Ca -0.25 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 1sg4 h PHE 62 Cb 1.12 0.27 -0.24 0.00 2.79 0.00 0.00 35.95 39.89 1sg4 h PHE 62 CO 0.45 -0.51 -0.15 0.45 -2.23 0.00 0.00 178.31 176.32 1sg4 s SER 63 N -4.48 -0.63 0.31 0.41 0.15 -1.21 -4.73 113.70 103.52 1sg4 s SER 63 Ca -0.13 1.10 0.25 0.00 0.70 0.00 0.00 55.95 57.87 1sg4 s SER 63 Cb 0.01 1.03 1.11 0.00 -1.71 0.00 0.00 66.02 66.46 1sg4 s SER 63 CO 0.38 -0.20 1.75 0.00 1.20 0.00 0.00 173.24 176.37 1sg4 h ALA 64 N 6.43 1.00 0.00 5.45 0.00 -1.22 -3.30 119.26 127.62 1sg4 h ALA 64 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sg4 h ALA 64 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1sg4 h ALA 64 CO 0.22 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1sg4 n GLY 65 N -0.33 -1.19 3.67 0.00 0.00 -1.26 -4.68 105.19 101.41 1sg4 n GLY 65 Ca 0.01 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1sg4 n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sg4 n LEU 66 N 0.00 3.25 -4.71 0.99 4.77 -1.26 -0.35 117.00 119.69 1sg4 n LEU 66 Ca 0.00 1.18 -0.37 0.00 -0.03 0.00 0.00 56.01 56.79 1sg4 n LEU 66 Cb 0.00 -1.44 -0.07 0.00 -2.33 0.00 0.00 43.42 39.58 1sg4 n LEU 66 CO 0.00 -0.73 0.04 -0.62 -1.33 0.00 0.00 177.39 174.75 1sg4 s ASP 67 N -0.41 6.47 0.18 -1.43 -1.08 -1.23 -4.67 116.67 114.50 1sg4 s ASP 67 Ca 0.57 0.55 -0.09 0.00 -0.52 0.00 0.00 52.55 53.06 1sg4 s ASP 67 Cb -0.58 -2.21 0.05 0.00 -1.46 0.00 0.00 42.92 38.72 1sg4 s ASP 67 CO 0.61 0.04 1.61 -0.07 0.52 0.00 0.00 175.17 177.88 1sg4 h LEU 68 N 6.92 1.05 -1.72 -1.34 3.38 -1.94 -2.75 115.31 118.91 1sg4 h LEU 68 Ca -0.40 -0.34 0.19 0.00 0.09 0.00 0.00 57.88 57.42 1sg4 h LEU 68 Cb 1.17 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 1sg4 h LEU 68 CO 0.75 1.14 0.54 0.71 0.09 0.00 0.00 178.44 181.66 1sg4 h THR 69 N 0.94 0.70 0.00 0.22 1.35 -1.94 0.14 112.91 114.32 1sg4 h THR 69 Ca 0.15 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1sg4 h THR 69 Cb 0.65 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 1sg4 h THR 69 CO 0.04 0.05 0.00 -0.33 -0.25 0.00 0.00 175.52 175.03 1sg4 h GLU 70 N 0.25 0.00 -0.09 4.72 4.39 -1.89 -3.29 114.58 118.68 1sg4 h GLU 70 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1sg4 h GLU 70 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1sg4 h GLU 70 CO -0.09 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.43 1sg4 n MET 71 N -3.00 1.45 -3.83 2.33 0.00 0.42 -4.61 117.12 109.89 1sg4 n MET 71 Ca 0.03 -1.31 -0.36 0.00 0.00 0.00 0.00 57.70 56.06 1sg4 n MET 71 Cb 0.44 -1.11 -0.13 0.00 0.00 0.00 0.00 33.22 32.42 1sg4 n MET 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sg4 n GLY 73 N 4.77 -0.31 2.57 0.00 0.00 -1.26 -4.82 105.19 106.14 1sg4 n GLY 73 Ca -0.14 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1sg4 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg4 n ARG 74 N -2.60 3.31 0.00 1.61 3.00 -1.26 -5.10 116.66 115.62 1sg4 n ARG 74 Ca -0.20 -4.34 0.00 0.00 -0.01 0.00 0.00 57.85 53.31 1sg4 n ARG 74 Cb 0.65 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.85 1sg4 n ARG 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1sg4 n SER 75 N -0.49 0.00 0.00 0.55 3.41 -1.26 -2.40 113.62 113.43 1sg4 n SER 75 Ca 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1sg4 n SER 75 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1sg4 n SER 75 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1sg4 n PRO 76 N 0.00 0.00 -0.23 4.33 -0.01 -1.26 -1.93 135.00 135.90 1sg4 n PRO 76 Ca 0.00 0.08 -0.06 0.00 -0.01 0.00 0.00 63.50 63.51 1sg4 n PRO 76 Cb 0.00 -0.16 0.05 0.00 -0.01 0.00 0.00 33.50 33.38 1sg4 n PRO 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1sg4 h ALA 77 N -0.32 0.81 -0.31 3.55 0.00 -2.00 -2.61 119.26 118.39 1sg4 h ALA 77 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1sg4 h ALA 77 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sg4 h ALA 77 CO 0.00 0.24 -0.31 1.25 0.00 0.00 0.00 179.25 180.43 1sg4 h HIS 78 N 0.86 0.78 -0.50 0.00 -0.00 -1.69 0.15 115.15 114.75 1sg4 h HIS 78 Ca 0.24 -0.20 0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1sg4 h HIS 78 Cb -0.09 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 1sg4 h HIS 78 CO -0.03 0.90 0.30 1.88 -0.00 0.00 0.00 177.93 180.98 1sg4 h TYR 79 N 0.57 0.56 -0.28 5.26 0.99 -1.02 0.34 116.97 123.38 1sg4 h TYR 79 Ca 0.07 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 1sg4 h TYR 79 Cb 0.81 -0.18 -0.01 0.00 1.00 0.00 0.00 36.73 38.35 1sg4 h TYR 79 CO 0.04 0.32 0.18 0.00 -0.00 0.00 0.00 178.16 178.70 1sg4 h ALA 80 N 1.22 0.36 -0.13 3.88 0.00 -1.07 -2.75 119.26 120.77 1sg4 h ALA 80 Ca 0.20 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1sg4 h ALA 80 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sg4 h ALA 80 CO -0.09 -0.15 -0.30 0.78 0.00 0.00 0.00 179.25 179.50 1sg4 h GLY 81 N 0.37 0.27 2.00 0.00 0.00 -0.58 -2.43 103.07 102.70 1sg4 h GLY 81 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.18 1sg4 h GLY 81 CO -0.02 0.20 -0.14 -1.82 0.00 0.00 0.00 176.54 174.76 1sg4 h TYR 82 N 0.22 0.00 0.04 5.60 3.20 -0.65 -3.17 116.97 122.21 1sg4 h TYR 82 Ca 0.03 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.54 1sg4 h TYR 82 Cb 0.65 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 1sg4 h TYR 82 CO 0.01 0.14 -2.17 1.87 -1.64 0.00 0.00 178.16 176.37 1sg4 n TRP 83 N -3.74 0.56 -0.37 -3.82 -0.00 -0.94 -2.65 117.44 106.47 1sg4 n TRP 83 Ca -0.02 0.15 0.02 0.00 -0.00 0.00 0.00 57.50 57.65 1sg4 n TRP 83 Cb 0.25 -1.08 0.17 0.00 -0.00 0.00 0.00 31.31 30.64 1sg4 n TRP 83 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1sg4 h LYS 84 N 0.02 1.16 -0.07 5.87 3.64 -1.49 -0.50 116.57 125.20 1sg4 h LYS 84 Ca -0.47 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 58.67 1sg4 h LYS 84 Cb 2.04 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.59 1sg4 h LYS 84 CO 0.02 0.77 -0.67 0.00 -2.27 0.00 0.00 179.45 177.30 1sg4 h ALA 85 N 1.44 0.72 0.20 5.00 0.00 -1.60 0.62 119.26 125.64 1sg4 h ALA 85 Ca 0.42 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1sg4 h ALA 85 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sg4 h ALA 85 CO -0.16 0.76 -0.10 0.28 0.00 0.00 0.00 179.25 180.03 1sg4 h VAL 86 N 0.22 0.82 -0.78 0.00 2.07 -1.20 -1.69 116.25 115.70 1sg4 h VAL 86 Ca -0.02 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1sg4 h VAL 86 Cb 1.21 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1sg4 h VAL 86 CO 0.11 0.03 0.47 1.56 0.02 0.00 0.00 177.57 179.76 1sg4 h GLN 87 N -0.33 0.85 -0.60 1.57 4.20 -1.04 -2.46 115.11 117.30 1sg4 h GLN 87 Ca -0.03 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1sg4 h GLN 87 Cb 0.25 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 1sg4 h GLN 87 CO 0.05 0.56 0.37 1.49 -0.67 0.00 0.00 178.83 180.63 1sg4 h GLU 88 N 0.87 0.72 -0.42 1.46 4.57 -0.64 0.85 114.58 121.98 1sg4 h GLU 88 Ca 0.34 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1sg4 h GLU 88 Cb 0.15 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1sg4 h GLU 88 CO -0.16 0.47 0.24 1.25 -1.18 0.00 0.00 179.01 179.63 1sg4 h LEU 89 N 0.74 0.52 -0.20 1.64 5.85 -0.96 0.12 115.31 123.02 1sg4 h LEU 89 Ca 0.24 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1sg4 h LEU 89 Cb 0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1sg4 h LEU 89 CO -0.09 0.44 0.10 -0.25 -0.34 0.00 0.00 178.44 178.30 1sg4 h TRP 90 N 0.55 0.19 -0.42 1.25 7.01 -1.00 -0.96 115.95 122.58 1sg4 h TRP 90 Ca 0.15 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1sg4 h TRP 90 Cb 0.03 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1sg4 h TRP 90 CO -0.03 0.11 0.16 -0.07 -2.79 0.00 0.00 178.44 175.83 1sg4 h LEU 91 N 0.22 0.58 -0.43 0.65 3.38 -0.55 0.20 115.31 119.36 1sg4 h LEU 91 Ca 0.08 -0.17 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1sg4 h LEU 91 Cb 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1sg4 h LEU 91 CO -0.05 0.59 -0.43 0.03 0.09 0.00 0.00 178.44 178.67 1sg4 h ARG 92 N 0.53 0.84 -0.11 1.13 2.47 -0.87 -1.60 114.38 116.77 1sg4 h ARG 92 Ca 0.14 -0.46 -0.01 0.00 -1.26 0.00 0.00 59.98 58.39 1sg4 h ARG 92 Cb 0.20 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1sg4 h ARG 92 CO -0.01 1.10 0.03 -0.07 0.56 0.00 0.00 179.97 181.58 1sg4 h LEU 93 N 0.68 0.16 -1.14 3.04 3.38 -1.09 -2.06 115.31 118.27 1sg4 h LEU 93 Ca 0.05 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1sg4 h LEU 93 Cb 1.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1sg4 h LEU 93 CO 0.10 0.33 -0.33 0.22 0.09 0.00 0.00 178.44 178.84 1sg4 h TYR 94 N -0.02 0.19 -0.61 1.13 3.20 -0.85 -2.43 116.97 117.59 1sg4 h TYR 94 Ca 0.03 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1sg4 h TYR 94 Cb 0.23 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1sg4 h TYR 94 CO -0.00 0.49 0.00 1.04 -1.64 0.00 0.00 178.16 178.05 1sg4 n GLN 95 N -4.10 2.77 -1.86 1.82 6.02 -0.61 -5.00 117.38 116.41 1sg4 n GLN 95 Ca -0.01 -2.47 -0.39 0.00 -0.01 0.00 0.00 57.00 54.12 1sg4 n GLN 95 Cb 0.41 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.21 1sg4 n GLN 95 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1sg4 s SER 96 N -1.00 5.79 0.02 1.08 0.15 -0.78 -4.89 113.70 114.07 1sg4 s SER 96 Ca 0.41 2.80 0.28 0.00 0.70 0.00 0.00 55.95 60.14 1sg4 s SER 96 Cb 0.21 -2.64 1.02 0.00 -1.71 0.00 0.00 66.02 62.90 1sg4 s SER 96 CO 0.28 -1.22 1.79 0.59 1.20 0.00 0.00 173.24 175.87 1sg4 n ASN 97 N -0.39 0.18 -4.80 5.45 3.02 -1.26 -4.83 115.26 112.63 1sg4 n ASN 97 Ca 0.06 0.32 -0.32 0.00 -0.03 0.00 0.00 54.58 54.62 1sg4 n ASN 97 Cb 0.43 -0.33 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1sg4 n ASN 97 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sg4 s LEU 98 N -3.12 3.35 -0.02 3.41 1.43 -1.26 -4.85 118.68 117.61 1sg4 s LEU 98 Ca 0.13 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1sg4 s LEU 98 Cb 0.18 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 1sg4 s LEU 98 CO 0.58 -1.36 1.20 -0.69 0.23 0.00 0.00 176.35 176.31 1sg4 s VAL 99 N -2.64 4.19 -0.15 -1.59 1.01 -0.36 -4.97 120.40 115.90 1sg4 s VAL 99 Ca 0.62 1.54 0.02 0.00 0.00 0.00 0.00 61.98 64.16 1sg4 s VAL 99 Cb -0.16 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1sg4 s VAL 99 CO 0.44 0.03 -0.21 -0.76 0.00 0.00 0.00 175.10 174.60 1sg4 s LEU 100 N 1.91 2.15 -0.12 3.92 1.43 -1.26 -0.80 118.68 125.91 1sg4 s LEU 100 Ca 0.57 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1sg4 s LEU 100 Cb -0.26 -1.46 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1sg4 s LEU 100 CO 0.24 0.07 -0.19 -0.69 0.23 0.00 0.00 176.35 176.01 1sg4 s VAL 101 N 0.87 1.79 -0.23 -1.59 1.01 -0.41 -0.06 120.40 121.78 1sg4 s VAL 101 Ca -0.05 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1sg4 s VAL 101 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1sg4 s VAL 101 CO -0.03 0.50 0.47 -0.44 0.00 0.00 0.00 175.10 175.60 1sg4 s SER 102 N 0.80 6.44 -0.82 3.32 0.01 -0.33 -0.65 113.70 122.47 1sg4 s SER 102 Ca -0.09 0.53 -0.16 0.00 1.31 0.00 0.00 55.95 57.54 1sg4 s SER 102 Cb -0.16 -2.26 0.19 0.00 0.21 0.00 0.00 66.02 64.00 1sg4 s SER 102 CO 0.00 -0.19 0.84 0.00 0.41 0.00 0.00 173.24 174.30 1sg4 s ALA 103 N 1.85 3.85 -0.73 1.44 0.00 -0.03 -1.59 121.76 126.55 1sg4 s ALA 103 Ca 0.21 -3.08 -0.22 0.00 0.00 0.00 0.00 51.96 48.86 1sg4 s ALA 103 Cb -0.15 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.42 1sg4 s ALA 103 CO 0.09 -2.44 1.01 0.42 0.00 0.00 0.00 175.76 174.84 1sg4 s ILE 104 N 0.99 4.41 -0.46 0.00 1.01 0.85 -4.38 121.20 123.62 1sg4 s ILE 104 Ca 0.20 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1sg4 s ILE 104 Cb -0.11 -4.72 0.48 0.00 0.01 0.00 0.00 42.46 38.13 1sg4 s ILE 104 CO -0.08 -1.48 1.65 -0.46 0.00 0.00 0.00 174.94 174.57 1sg4 n ASN 105 N 7.46 5.54 -3.75 3.58 6.94 -1.26 -1.54 115.26 132.24 1sg4 n ASN 105 Ca 0.04 -3.77 0.02 0.00 -0.02 0.00 0.00 54.58 50.85 1sg4 n ASN 105 Cb 0.46 -0.70 0.01 0.00 -2.36 0.00 0.00 39.78 37.20 1sg4 n ASN 105 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1sg4 s GLY 106 N -2.51 -0.22 0.46 4.83 0.00 -1.26 -0.71 107.32 107.91 1sg4 s GLY 106 Ca 0.56 0.25 -0.24 0.00 0.00 0.00 0.00 44.72 45.30 1sg4 s GLY 106 CO 0.02 3.81 1.20 0.00 0.00 0.00 0.00 173.10 178.13 1sg4 n ALA 107 N -0.77 0.99 -3.20 3.20 0.00 -0.12 -4.00 120.51 116.62 1sg4 n ALA 107 Ca -0.00 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.41 1sg4 n ALA 107 Cb 0.60 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.76 1sg4 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sg4 n PRO 109 N 1.57 -0.45 -0.07 0.00 -0.04 -1.26 -1.75 135.00 133.00 1sg4 n PRO 109 Ca 0.22 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1sg4 n PRO 109 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1sg4 n PRO 109 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sg4 h ALA 110 N -2.00 -0.13 0.00 0.55 0.00 -1.67 0.25 119.26 116.27 1sg4 h ALA 110 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1sg4 h ALA 110 Cb 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1sg4 h ALA 110 CO 0.00 -0.68 -0.38 0.78 0.00 0.00 0.00 179.25 178.97 1sg4 h GLY 111 N -0.25 0.00 1.49 0.00 0.00 -1.87 0.51 103.07 102.95 1sg4 h GLY 111 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1sg4 h GLY 111 CO -0.43 0.00 0.12 -1.33 0.00 0.00 0.00 176.54 174.89 1sg4 h GLY 112 N 1.26 0.70 2.00 4.60 0.00 -1.14 -2.34 103.07 108.14 1sg4 h GLY 112 Ca -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1sg4 h GLY 112 CO 0.05 0.35 -0.21 0.00 0.00 0.00 0.00 176.54 176.73 1sg4 h LEU 114 N 0.00 0.79 0.00 0.00 6.46 -0.75 0.21 115.31 122.03 1sg4 h LEU 114 Ca -0.00 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1sg4 h LEU 114 Cb 0.67 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1sg4 h LEU 114 CO 0.03 0.38 -0.00 0.58 -0.62 0.00 0.00 178.44 178.81 1sg4 h VAL 115 N 0.83 1.55 -0.32 1.05 2.07 -1.40 -3.27 116.25 116.76 1sg4 h VAL 115 Ca 0.50 -2.12 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1sg4 h VAL 115 Cb 0.67 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.34 1sg4 h VAL 115 CO -0.26 0.52 0.17 0.00 0.02 0.00 0.00 177.57 178.02 1sg4 h ALA 116 N -0.11 0.41 0.00 1.67 0.00 -1.02 -2.58 119.26 117.63 1sg4 h ALA 116 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sg4 h ALA 116 Cb 0.85 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1sg4 h ALA 116 CO 0.00 -0.06 -0.06 -0.07 0.00 0.00 0.00 179.25 179.06 1sg4 h LEU 117 N 0.39 0.00 -0.10 0.00 3.38 -1.13 -2.35 115.31 115.51 1sg4 h LEU 117 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1sg4 h LEU 117 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1sg4 h LEU 117 CO -0.02 0.06 -0.32 0.35 0.09 0.00 0.00 178.44 178.60 1sg4 n THR 118 N -3.23 0.00 -1.62 0.22 -2.24 -0.98 -4.89 114.28 101.53 1sg4 n THR 118 Ca -0.00 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.46 1sg4 n THR 118 Cb 0.28 0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.73 1sg4 n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg4 h ASP 120 N -1.51 0.00 -4.00 0.00 3.32 -0.78 -3.47 116.42 109.99 1sg4 h ASP 120 Ca -0.48 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 1sg4 h ASP 120 Cb 1.32 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.65 1sg4 h ASP 120 CO 0.58 0.21 0.00 -0.47 -1.72 0.00 0.00 179.24 177.84 1sg4 s TYR 121 N -3.15 -0.66 -0.10 4.55 5.04 -1.18 -5.04 117.35 116.81 1sg4 s TYR 121 Ca 0.03 1.61 0.01 0.00 -2.44 0.00 0.00 57.07 56.27 1sg4 s TYR 121 Cb 0.07 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.64 1sg4 s TYR 121 CO 0.74 -0.33 -0.11 1.03 -1.34 0.00 0.00 175.55 175.54 1sg4 s ARG 122 N 0.27 1.75 -0.13 4.97 0.52 -1.26 -1.19 118.95 123.88 1sg4 s ARG 122 Ca -0.00 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 1sg4 s ARG 122 Cb -0.04 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.79 1sg4 s ARG 122 CO 0.01 -0.16 -0.20 0.42 0.02 0.00 0.00 175.30 175.39 1sg4 s ILE 123 N 1.31 2.33 -0.13 1.52 1.01 -0.62 -0.66 121.20 125.96 1sg4 s ILE 123 Ca -0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1sg4 s ILE 123 Cb -0.14 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1sg4 s ILE 123 CO -0.05 0.54 -0.09 -0.22 0.00 0.00 0.00 174.94 175.13 1sg4 s LEU 124 N 0.60 2.99 0.32 2.97 2.96 0.16 -0.11 118.68 128.57 1sg4 s LEU 124 Ca -0.11 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 1sg4 s LEU 124 Cb -0.16 -1.69 -0.10 0.00 0.50 0.00 0.00 46.19 44.73 1sg4 s LEU 124 CO 0.03 0.19 1.36 0.00 -1.32 0.00 0.00 176.35 176.60 1sg4 s ALA 125 N 0.25 3.53 -1.32 5.97 0.00 -0.59 -1.85 121.76 127.75 1sg4 s ALA 125 Ca -0.06 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.10 1sg4 s ALA 125 Cb -0.15 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.59 1sg4 s ALA 125 CO 0.04 -0.72 1.92 -3.47 0.00 0.00 0.00 175.76 173.53 1sg4 n ASP 126 N 1.08 4.75 -4.14 0.00 2.03 0.78 -4.84 116.55 116.21 1sg4 n ASP 126 Ca 0.02 -3.01 -0.33 0.00 0.52 0.00 0.00 54.79 51.99 1sg4 n ASP 126 Cb 0.41 -1.56 -0.16 0.00 -0.72 0.00 0.00 41.12 39.09 1sg4 n ASP 126 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1sg4 s ASN 127 N 1.97 3.10 0.61 1.67 3.84 -1.26 -4.59 114.94 120.28 1sg4 s ASN 127 Ca 0.43 -0.62 0.39 0.00 0.21 0.00 0.00 52.86 53.26 1sg4 s ASN 127 Cb 0.09 -1.45 2.10 0.00 -0.55 0.00 0.00 41.25 41.45 1sg4 s ASN 127 CO -0.02 0.03 2.18 1.55 -2.79 0.00 0.00 177.10 178.06 1sg4 h PRO 128 N 7.66 0.00 0.00 0.43 0.13 -2.02 0.95 132.00 139.15 1sg4 h PRO 128 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1sg4 h PRO 128 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1sg4 h PRO 128 CO 0.60 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.91 1sg4 n ARG 129 N -2.91 0.07 -2.82 0.86 1.74 -1.26 -4.52 116.66 107.82 1sg4 n ARG 129 Ca -0.03 0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.71 1sg4 n ARG 129 Cb 0.12 -1.59 0.01 0.00 -1.02 0.00 0.00 32.46 29.98 1sg4 n ARG 129 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1sg4 n TYR 130 N -1.72 3.12 -3.45 -1.55 4.02 0.33 -4.38 117.16 113.52 1sg4 n TYR 130 Ca 0.06 -2.89 -0.31 0.00 -0.01 0.00 0.00 57.90 54.75 1sg4 n TYR 130 Cb 0.35 -1.63 -0.05 0.00 -0.02 0.00 0.00 39.34 37.99 1sg4 n TYR 130 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sg4 s ILE 132 N -1.82 0.53 -3.42 0.00 2.07 -0.28 -0.56 121.20 117.72 1sg4 s ILE 132 Ca 0.46 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 1sg4 s ILE 132 Cb -0.11 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1sg4 s ILE 132 CO 0.23 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 1sg4 n GLY 133 N 3.56 -2.33 3.34 1.50 0.00 -0.72 -0.43 105.19 110.12 1sg4 n GLY 133 Ca -0.21 -1.22 -0.47 0.00 0.00 0.00 0.00 46.02 44.12 1sg4 n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg4 s LEU 134 N 0.00 6.59 -0.33 0.99 1.43 -1.23 -1.82 118.68 124.31 1sg4 s LEU 134 Ca 0.00 -2.70 0.09 0.00 -1.03 0.00 0.00 54.13 50.49 1sg4 s LEU 134 Cb 0.00 -2.23 0.71 0.00 0.03 0.00 0.00 46.19 44.71 1sg4 s LEU 134 CO 0.00 -0.60 1.78 -0.46 0.23 0.00 0.00 176.35 177.31 1sg4 n ASN 135 N 4.12 4.65 -0.29 2.29 6.94 -1.26 -4.21 115.26 127.50 1sg4 n ASN 135 Ca 0.15 -3.21 0.08 0.00 -0.02 0.00 0.00 54.58 51.59 1sg4 n ASN 135 Cb 0.47 -0.75 0.24 0.00 -2.36 0.00 0.00 39.78 37.37 1sg4 n ASN 135 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1sg4 h GLU 136 N 2.42 0.46 0.00 -3.83 3.07 -1.86 -1.38 114.58 113.47 1sg4 h GLU 136 Ca 0.30 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1sg4 h GLU 136 Cb 2.35 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 30.15 1sg4 h GLU 136 CO 0.76 0.31 -0.16 1.79 -1.40 0.00 0.00 179.01 180.31 1sg4 h THR 137 N 0.48 0.67 -0.04 1.13 1.35 -1.73 -0.27 112.91 114.50 1sg4 h THR 137 Ca 0.48 -0.68 0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1sg4 h THR 137 Cb 0.78 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1sg4 h THR 137 CO -0.44 0.16 0.04 1.56 -0.25 0.00 0.00 175.52 176.59 1sg4 h GLN 138 N 0.00 0.00 -0.07 4.72 1.08 -1.53 -1.27 115.11 118.04 1sg4 h GLN 138 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sg4 h GLN 138 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1sg4 h GLN 138 CO 0.02 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.18 1sg4 n LEU 139 N -4.04 2.94 0.00 1.46 7.99 -0.15 -4.95 117.00 120.25 1sg4 n LEU 139 Ca -0.02 -1.02 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 1sg4 n LEU 139 Cb 0.13 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1sg4 n LEU 139 CO 0.29 0.51 0.00 0.61 -1.51 0.00 0.00 177.39 177.29 1sg4 n GLY 140 N 1.35 0.69 3.21 -0.72 0.00 -0.48 -5.05 105.19 104.19 1sg4 n GLY 140 Ca 0.15 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1sg4 n GLY 140 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sg4 n ILE 141 N -2.57 0.00 -4.22 -0.61 -5.35 -0.96 -5.00 119.36 100.65 1sg4 n ILE 141 Ca 0.00 -2.23 -0.15 0.00 -0.27 0.00 0.00 62.75 60.10 1sg4 n ILE 141 Cb 0.00 0.69 -0.11 0.00 -1.74 0.00 0.00 39.64 38.48 1sg4 n ILE 141 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1sg4 s ILE 142 N -2.89 1.13 0.36 7.28 -4.36 -1.26 -2.57 121.20 118.89 1sg4 s ILE 142 Ca 0.13 -1.84 -0.27 0.00 -0.26 0.00 0.00 60.65 58.41 1sg4 s ILE 142 Cb 0.01 -1.61 -0.09 0.00 1.25 0.00 0.00 42.46 42.01 1sg4 s ILE 142 CO 0.09 -0.61 1.24 0.00 0.24 0.00 0.00 174.94 175.90 1sg4 s ALA 143 N -2.76 3.33 0.62 2.27 0.00 -1.26 -4.98 121.76 118.97 1sg4 s ALA 143 Ca 0.11 1.12 -0.19 0.00 0.00 0.00 0.00 51.96 53.00 1sg4 s ALA 143 Cb -0.01 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1sg4 s ALA 143 CO 0.01 -0.58 1.18 -2.30 0.00 0.00 0.00 175.76 174.06 1sg4 n PRO 144 N 0.48 1.10 -0.23 0.00 -0.02 -1.26 -4.74 135.00 130.32 1sg4 n PRO 144 Ca 0.02 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 1sg4 n PRO 144 Cb 0.44 -2.40 0.32 0.00 -0.02 0.00 0.00 33.50 31.84 1sg4 n PRO 144 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1sg4 h PHE 145 N 0.62 0.86 -0.01 6.00 -5.15 -1.99 -0.73 116.94 116.54 1sg4 h PHE 145 Ca -0.50 0.02 -0.13 0.00 -0.20 0.00 0.00 57.97 57.16 1sg4 h PHE 145 Cb 1.35 -0.28 -0.02 0.00 0.22 0.00 0.00 35.95 37.22 1sg4 h PHE 145 CO 0.40 0.43 -0.61 0.11 -2.00 0.00 0.00 178.31 176.64 1sg4 h TRP 146 N 0.83 0.02 -0.03 6.09 5.08 -1.96 0.10 115.95 126.09 1sg4 h TRP 146 Ca 0.36 -0.01 -0.23 0.00 1.08 0.00 0.00 58.89 60.09 1sg4 h TRP 146 Cb 0.31 -0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.48 1sg4 h TRP 146 CO -0.00 0.62 -0.86 1.25 -1.28 0.00 0.00 178.44 178.17 1sg4 h LEU 147 N 0.01 0.81 -0.48 0.11 5.85 -1.63 -1.79 115.31 118.19 1sg4 h LEU 147 Ca -0.01 -0.72 0.07 0.00 0.84 0.00 0.00 57.88 58.06 1sg4 h LEU 147 Cb 1.08 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 1sg4 h LEU 147 CO 0.08 1.42 0.16 0.50 -0.34 0.00 0.00 178.44 180.26 1sg4 h LYS 148 N 0.28 0.32 -0.95 1.25 3.11 -1.01 -0.66 116.57 118.90 1sg4 h LYS 148 Ca -0.10 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.75 1sg4 h LYS 148 Cb 1.53 -0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 32.63 1sg4 h LYS 148 CO 0.17 0.21 0.62 -0.44 -2.81 0.00 0.00 179.45 177.21 1sg4 h ASP 149 N 0.33 1.05 -0.53 4.20 3.32 -0.72 0.52 116.42 124.59 1sg4 h ASP 149 Ca 0.23 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1sg4 h ASP 149 Cb 0.26 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1sg4 h ASP 149 CO -0.25 0.73 0.23 0.74 -1.72 0.00 0.00 179.24 178.97 1sg4 h THR 150 N 1.23 1.21 -0.46 0.35 2.02 -0.79 -0.19 112.91 116.27 1sg4 h THR 150 Ca 0.37 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.87 1sg4 h THR 150 Cb -0.03 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1sg4 h THR 150 CO -0.11 0.25 0.10 0.25 0.37 0.00 0.00 175.52 176.37 1sg4 h LEU 151 N 0.72 0.71 -1.19 2.58 5.85 -0.57 -2.14 115.31 121.27 1sg4 h LEU 151 Ca 0.18 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1sg4 h LEU 151 Cb 0.17 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1sg4 h LEU 151 CO -0.02 0.77 0.56 -0.08 -0.34 0.00 0.00 178.44 179.33 1sg4 h GLU 152 N 0.62 1.03 0.00 1.25 4.81 -0.64 0.19 114.58 121.84 1sg4 h GLU 152 Ca 0.14 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1sg4 h GLU 152 Cb 0.35 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1sg4 h GLU 152 CO 0.00 0.68 -0.05 -0.91 -0.73 0.00 0.00 179.01 178.00 1sg4 h ASN 153 N 1.06 0.00 0.08 1.04 2.35 -0.66 -0.10 115.58 119.35 1sg4 h ASN 153 Ca 0.33 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.74 1sg4 h ASN 153 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1sg4 h ASN 153 CO -0.10 0.05 -1.92 0.41 -1.65 0.00 0.00 177.43 174.23 1sg4 n THR 154 N -3.27 1.69 -0.21 2.81 -1.04 -0.13 -4.72 114.28 109.41 1sg4 n THR 154 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 1sg4 n THR 154 Cb 0.24 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 66.97 1sg4 n THR 154 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1sg4 n ILE 155 N -3.70 0.17 0.00 12.58 -5.35 -0.16 -4.75 119.36 118.14 1sg4 n ILE 155 Ca -0.35 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.65 1sg4 n ILE 155 Cb 0.95 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.93 1sg4 n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sg4 n GLY 156 N -0.08 -0.64 0.05 3.28 0.00 -0.05 -4.38 105.19 103.36 1sg4 n GLY 156 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1sg4 n GLY 156 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1sg4 h HIS 157 N 0.00 0.01 0.15 1.61 -0.00 -1.94 -1.87 115.15 113.11 1sg4 h HIS 157 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1sg4 h HIS 157 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1sg4 h HIS 157 CO 0.00 0.22 -0.07 -0.09 -0.00 0.00 0.00 177.93 177.99 1sg4 h ARG 158 N -0.20 -0.20 -0.65 5.26 1.12 -1.97 0.21 114.38 117.95 1sg4 h ARG 158 Ca 0.00 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 1sg4 h ARG 158 Cb 0.21 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.19 1sg4 h ARG 158 CO -0.00 -0.10 0.22 0.00 -3.11 0.00 0.00 179.97 176.98 1sg4 h ALA 159 N 0.60 1.18 -0.65 2.80 0.00 -1.76 -2.29 119.26 119.14 1sg4 h ALA 159 Ca -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1sg4 h ALA 159 Cb 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1sg4 h ALA 159 CO 0.03 0.58 0.17 0.00 0.00 0.00 0.00 179.25 180.03 1sg4 h ALA 160 N 1.30 1.06 -0.35 0.00 0.00 -0.95 0.85 119.26 121.17 1sg4 h ALA 160 Ca 0.21 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1sg4 h ALA 160 Cb 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1sg4 h ALA 160 CO -0.01 0.63 0.10 1.49 0.00 0.00 0.00 179.25 181.46 1sg4 h GLU 161 N 0.98 0.24 -0.01 0.00 4.81 -0.43 -0.03 114.58 120.14 1sg4 h GLU 161 Ca 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1sg4 h GLU 161 Cb 0.34 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1sg4 h GLU 161 CO -0.00 0.16 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.34 1sg4 h ARG 162 N 0.24 0.02 -0.70 1.92 2.43 -1.25 -1.94 114.38 115.10 1sg4 h ARG 162 Ca 0.16 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1sg4 h ARG 162 Cb 0.15 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1sg4 h ARG 162 CO -0.18 0.40 0.44 0.00 -1.51 0.00 0.00 179.97 179.12 1sg4 h ALA 163 N 0.62 0.91 -0.06 2.80 0.00 -0.64 -1.20 119.26 121.69 1sg4 h ALA 163 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1sg4 h ALA 163 Cb 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sg4 h ALA 163 CO 0.00 0.23 -0.21 -0.07 0.00 0.00 0.00 179.25 179.20 1sg4 h LEU 164 N 0.87 0.29 -0.46 0.00 3.38 -1.04 -0.74 115.31 117.61 1sg4 h LEU 164 Ca 0.28 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1sg4 h LEU 164 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1sg4 h LEU 164 CO -0.10 0.87 0.26 1.56 0.09 0.00 0.00 178.44 181.12 1sg4 h GLN 165 N -0.27 0.64 0.00 1.13 4.20 -1.23 -2.32 115.11 117.26 1sg4 h GLN 165 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1sg4 h GLN 165 Cb 0.85 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1sg4 h GLN 165 CO 0.04 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.98 1sg4 n LEU 166 N -4.69 0.00 -3.84 1.46 4.77 -0.46 -4.84 117.00 109.39 1sg4 n LEU 166 Ca 0.01 0.37 -0.27 0.00 -0.03 0.00 0.00 56.01 56.09 1sg4 n LEU 166 Cb 0.08 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1sg4 n LEU 166 CO 0.36 -0.04 0.02 0.61 -1.33 0.00 0.00 177.39 177.01 1sg4 n GLY 167 N 1.10 -0.40 3.75 -0.72 0.00 -0.39 -4.79 105.19 103.74 1sg4 n GLY 167 Ca 0.10 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 1sg4 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg4 s LEU 168 N -7.04 4.48 -0.41 0.99 1.43 -0.61 -4.27 118.68 113.25 1sg4 s LEU 168 Ca 0.38 2.35 -0.08 0.00 -1.03 0.00 0.00 54.13 55.74 1sg4 s LEU 168 Cb -0.19 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.49 1sg4 s LEU 168 CO 0.83 -0.34 0.23 -0.76 0.23 0.00 0.00 176.35 176.55 1sg4 s LEU 169 N -0.95 5.05 -0.07 1.79 1.43 -1.26 -3.58 118.68 121.09 1sg4 s LEU 169 Ca 0.49 -1.52 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 1sg4 s LEU 169 Cb -0.34 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1sg4 s LEU 169 CO 0.41 -0.51 1.24 -0.36 0.23 0.00 0.00 176.35 177.37 1sg4 s PHE 170 N 1.39 3.06 0.91 0.29 0.08 0.43 -4.59 117.98 119.55 1sg4 s PHE 170 Ca 0.03 1.11 -0.11 0.00 0.12 0.00 0.00 56.93 58.08 1sg4 s PHE 170 Cb -0.23 -3.47 0.14 0.00 -0.57 0.00 0.00 43.02 38.89 1sg4 s PHE 170 CO 0.01 -1.57 1.10 -2.14 -0.10 0.00 0.00 175.22 172.52 1sg4 s PRO 171 N 2.56 1.12 0.19 0.24 0.02 -1.26 -1.13 135.00 136.74 1sg4 s PRO 171 Ca 0.57 1.08 -0.13 0.00 0.02 0.00 0.00 61.00 62.54 1sg4 s PRO 171 Cb -0.25 -1.77 0.20 0.00 0.02 0.00 0.00 34.50 32.70 1sg4 s PRO 171 CO 0.21 -2.41 1.69 -1.35 -0.33 0.00 0.00 177.00 174.81 1sg4 h PRO 172 N -1.68 0.15 -0.80 5.54 0.11 -1.83 0.11 132.00 133.60 1sg4 h PRO 172 Ca -0.48 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1sg4 h PRO 172 Cb 1.27 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1sg4 h PRO 172 CO 0.50 0.10 0.37 0.00 -0.21 0.00 0.00 178.00 178.76 1sg4 h ALA 173 N 1.43 1.15 -0.12 -0.75 0.00 -1.97 -1.11 119.26 117.88 1sg4 h ALA 173 Ca 0.26 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1sg4 h ALA 173 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1sg4 h ALA 173 CO -0.39 0.64 -0.53 0.93 0.00 0.00 0.00 179.25 179.90 1sg4 h GLU 174 N 1.14 0.33 -0.63 0.00 3.07 -1.68 -1.48 114.58 115.33 1sg4 h GLU 174 Ca 0.27 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 1sg4 h GLU 174 Cb 0.13 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1sg4 h GLU 174 CO -0.03 0.78 0.13 0.00 -1.40 0.00 0.00 179.01 178.49 1sg4 h ALA 175 N 1.19 0.83 -0.30 3.43 0.00 -0.24 -0.31 119.26 123.87 1sg4 h ALA 175 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1sg4 h ALA 175 Cb 1.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1sg4 h ALA 175 CO 0.09 0.57 0.08 1.25 0.00 0.00 0.00 179.25 181.24 1sg4 h LEU 176 N 0.94 0.44 -0.73 0.00 5.85 -1.07 -1.79 115.31 118.94 1sg4 h LEU 176 Ca 0.20 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1sg4 h LEU 176 Cb 0.39 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1sg4 h LEU 176 CO 0.01 0.54 0.33 -0.61 -0.34 0.00 0.00 178.44 178.37 1sg4 h GLN 177 N 0.32 1.07 0.00 1.25 5.75 -0.90 -2.38 115.11 120.22 1sg4 h GLN 177 Ca 0.09 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1sg4 h GLN 177 Cb 0.26 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1sg4 h GLN 177 CO -0.00 0.85 0.00 -0.24 -2.65 0.00 0.00 178.83 176.79 1sg4 h VAL 178 N 1.04 0.00 0.00 2.39 3.04 -1.05 -3.47 116.25 118.20 1sg4 h VAL 178 Ca 0.25 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1sg4 h VAL 178 Cb 0.15 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1sg4 h VAL 178 CO -0.03 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.14 1sg4 n GLY 179 N 0.75 0.89 0.20 3.17 0.00 -0.74 -4.75 105.19 104.72 1sg4 n GLY 179 Ca 0.03 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1sg4 n GLY 179 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sg4 h ILE 180 N 0.00 0.45 -2.56 -0.61 2.10 -1.63 -3.43 117.51 111.82 1sg4 h ILE 180 Ca 0.00 -1.36 -0.52 0.00 1.08 0.00 0.00 64.86 64.07 1sg4 h ILE 180 Cb 0.00 2.00 -0.14 0.00 -1.09 0.00 0.00 36.82 37.59 1sg4 h ILE 180 CO 0.00 0.22 -0.72 0.68 -1.08 0.00 0.00 178.15 177.25 1sg4 s VAL 181 N -3.33 1.94 -0.13 2.19 -7.23 -1.19 -4.94 120.40 107.69 1sg4 s VAL 181 Ca 0.03 -2.23 0.16 0.00 -1.81 0.00 0.00 61.98 58.13 1sg4 s VAL 181 Cb 0.08 -2.28 -0.24 0.00 0.56 0.00 0.00 36.38 34.50 1sg4 s VAL 181 CO 0.67 -0.43 0.34 0.47 -0.31 0.00 0.00 175.10 175.84 1sg4 n ASP 182 N -0.53 0.38 -3.80 4.85 8.00 0.17 -4.56 116.55 121.06 1sg4 n ASP 182 Ca -0.06 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 1sg4 n ASP 182 Cb 0.61 0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 42.18 1sg4 n ASP 182 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1sg4 s GLN 183 N -2.57 0.49 -0.13 -1.24 -0.21 -1.10 -5.04 119.66 109.86 1sg4 s GLN 183 Ca -0.08 -0.06 0.02 0.00 0.02 0.00 0.00 55.36 55.27 1sg4 s GLN 183 Cb 0.07 0.22 0.01 0.00 1.00 0.00 0.00 33.01 34.30 1sg4 s GLN 183 CO 0.83 -0.11 -0.22 0.08 -2.12 0.00 0.00 175.29 173.75 1sg4 s VAL 184 N -0.84 2.14 0.08 1.09 1.01 -1.26 -0.67 120.40 121.96 1sg4 s VAL 184 Ca -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1sg4 s VAL 184 Cb -0.05 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1sg4 s VAL 184 CO 0.02 0.55 -0.07 0.68 0.00 0.00 0.00 175.10 176.28 1sg4 s VAL 185 N 0.73 0.64 0.47 2.92 -7.23 -0.77 -4.94 120.40 112.21 1sg4 s VAL 185 Ca -0.09 -1.73 -0.23 0.00 -1.81 0.00 0.00 61.98 58.12 1sg4 s VAL 185 Cb -0.16 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.26 1sg4 s VAL 185 CO 0.00 -0.77 1.02 -2.65 -0.31 0.00 0.00 175.10 172.40 1sg4 n PRO 186 N 0.31 1.30 -0.33 4.82 -0.02 -1.26 -0.15 135.00 139.66 1sg4 n PRO 186 Ca -0.15 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1sg4 n PRO 186 Cb 0.59 -2.11 0.24 0.00 -0.02 0.00 0.00 33.50 32.20 1sg4 n PRO 186 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1sg4 h GLU 187 N 1.32 0.78 0.00 -0.52 5.08 -1.90 0.31 114.58 119.65 1sg4 h GLU 187 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1sg4 h GLU 187 Cb 1.34 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1sg4 h GLU 187 CO 0.55 0.52 0.00 -0.85 -1.00 0.00 0.00 179.01 178.23 1sg4 n GLU 188 N -4.74 0.04 -0.15 2.33 0.00 -1.26 -2.63 120.64 114.22 1sg4 n GLU 188 Ca 0.18 0.28 0.07 0.00 0.00 0.00 0.00 57.16 57.69 1sg4 n GLU 188 Cb 0.41 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.50 1sg4 n GLU 188 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1sg4 n GLN 189 N -1.45 2.29 -0.22 3.44 6.02 0.11 -4.68 117.38 122.88 1sg4 n GLN 189 Ca 0.03 -1.92 -0.09 0.00 -0.01 0.00 0.00 57.00 55.02 1sg4 n GLN 189 Cb 0.12 -1.30 0.03 0.00 1.02 0.00 0.00 30.24 30.11 1sg4 n GLN 189 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1sg4 h VAL 190 N 2.48 1.26 -0.04 5.09 2.07 -1.44 -1.67 116.25 124.00 1sg4 h VAL 190 Ca 0.00 -1.08 -0.21 0.00 0.82 0.00 0.00 66.70 66.24 1sg4 h VAL 190 Cb 0.72 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1sg4 h VAL 190 CO 0.00 0.40 -0.84 1.56 0.02 0.00 0.00 177.57 178.70 1sg4 h GLN 191 N 0.95 0.44 -0.45 1.57 1.08 -1.83 -1.67 115.11 115.20 1sg4 h GLN 191 Ca 0.18 -0.41 -0.10 0.00 -1.45 0.00 0.00 58.65 56.87 1sg4 h GLN 191 Cb 0.49 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1sg4 h GLN 191 CO 0.02 1.06 -0.12 0.66 -0.95 0.00 0.00 178.83 179.50 1sg4 h SER 192 N 0.27 0.81 -0.70 1.46 4.64 -1.84 -1.18 113.55 117.01 1sg4 h SER 192 Ca -0.06 -0.25 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 1sg4 h SER 192 Cb 1.45 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 1sg4 h SER 192 CO 0.15 0.95 0.17 0.74 -0.87 0.00 0.00 176.83 177.97 1sg4 h THR 193 N 0.73 1.26 -0.29 2.95 2.02 -1.18 -1.06 112.91 117.34 1sg4 h THR 193 Ca 0.12 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.25 1sg4 h THR 193 Cb 0.62 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1sg4 h THR 193 CO 0.04 0.37 -0.19 0.00 0.37 0.00 0.00 175.52 176.12 1sg4 h ALA 194 N 1.11 1.15 -0.39 6.16 0.00 -0.93 0.26 119.26 126.61 1sg4 h ALA 194 Ca 0.22 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1sg4 h ALA 194 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1sg4 h ALA 194 CO 0.00 0.54 0.06 1.25 0.00 0.00 0.00 179.25 181.09 1sg4 h LEU 195 N 0.47 0.62 -0.68 0.00 5.85 -0.81 0.38 115.31 121.14 1sg4 h LEU 195 Ca 0.08 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1sg4 h LEU 195 Cb 0.59 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1sg4 h LEU 195 CO 0.04 0.73 0.34 -1.28 -0.34 0.00 0.00 178.44 177.93 1sg4 h SER 196 N 0.49 0.88 -0.04 1.25 0.87 -0.88 -1.19 113.55 114.93 1sg4 h SER 196 Ca 0.12 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1sg4 h SER 196 Cb 0.38 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1sg4 h SER 196 CO 0.01 0.76 0.02 0.00 -0.53 0.00 0.00 176.83 177.08 1sg4 h ALA 197 N 1.16 0.05 0.00 6.23 0.00 -0.79 -2.71 119.26 123.20 1sg4 h ALA 197 Ca 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1sg4 h ALA 197 Cb 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sg4 h ALA 197 CO -0.03 -0.38 -0.37 0.97 0.00 0.00 0.00 179.25 179.44 1sg4 h ILE 198 N -0.08 1.09 -0.76 0.00 2.10 -0.76 -1.57 117.51 117.53 1sg4 h ILE 198 Ca 0.01 -1.33 0.06 0.00 1.08 0.00 0.00 64.86 64.69 1sg4 h ILE 198 Cb 0.14 1.75 -0.06 0.00 -1.09 0.00 0.00 36.82 37.57 1sg4 h ILE 198 CO -0.00 0.36 0.45 0.00 -1.08 0.00 0.00 178.15 177.88 1sg4 h ALA 199 N 1.63 1.05 -0.27 0.18 0.00 -1.03 0.22 119.26 121.04 1sg4 h ALA 199 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1sg4 h ALA 199 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1sg4 h ALA 199 CO 0.05 0.14 -0.17 1.96 0.00 0.00 0.00 179.25 181.24 1sg4 h GLN 200 N 0.81 0.59 -0.21 0.00 4.20 -1.00 -2.74 115.11 116.76 1sg4 h GLN 200 Ca 0.34 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 1sg4 h GLN 200 Cb 0.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1sg4 h GLN 200 CO -0.19 0.85 -0.46 -1.49 -0.67 0.00 0.00 178.83 176.88 1sg4 h TRP 201 N 0.33 0.66 0.00 2.96 4.06 -1.10 -2.96 115.95 119.89 1sg4 h TRP 201 Ca 0.06 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.80 1sg4 h TRP 201 Cb 0.69 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1sg4 h TRP 201 CO 0.07 0.90 0.00 0.52 -3.56 0.00 0.00 178.44 176.37 1sg4 h MET 202 N 0.44 0.00 0.00 0.49 2.86 -0.93 -2.99 114.93 114.80 1sg4 h MET 202 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1sg4 h MET 202 Cb 0.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1sg4 h MET 202 CO 0.09 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.06 1sg4 h ALA 203 N 2.06 1.00 -2.82 6.32 0.00 -1.31 -3.45 119.26 121.06 1sg4 h ALA 203 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1sg4 h ALA 203 Cb 0.58 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.43 1sg4 h ALA 203 CO 0.00 0.00 0.67 0.42 0.00 0.00 0.00 179.25 180.34 1sg4 s ILE 204 N -3.37 2.76 -0.09 0.00 -1.09 -1.13 -4.91 121.20 113.36 1sg4 s ILE 204 Ca 0.05 0.71 -0.38 0.00 -2.23 0.00 0.00 60.65 58.80 1sg4 s ILE 204 Cb 0.08 -3.45 -0.16 0.00 -1.58 0.00 0.00 42.46 37.35 1sg4 s ILE 204 CO 0.57 0.15 1.54 -2.65 -1.23 0.00 0.00 174.94 173.32 1sg4 n PRO 205 N 1.39 1.15 -0.03 2.79 -0.02 -1.26 -4.85 135.00 134.18 1sg4 n PRO 205 Ca 0.02 0.42 -0.12 0.00 -2.02 0.00 0.00 63.50 61.80 1sg4 n PRO 205 Cb 0.41 -2.08 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 1sg4 n PRO 205 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1sg4 h ASP 206 N 5.88 0.15 -0.67 2.55 3.58 -1.91 -1.38 116.42 124.62 1sg4 h ASP 206 Ca -0.47 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 56.62 1sg4 h ASP 206 Cb 1.33 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 1sg4 h ASP 206 CO 0.87 0.47 0.39 -0.74 -2.88 0.00 0.00 179.24 177.34 1sg4 h HIS 207 N -0.16 0.90 -0.72 0.28 2.76 -1.99 -0.04 115.15 116.18 1sg4 h HIS 207 Ca 0.02 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 1sg4 h HIS 207 Cb 0.40 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.03 1sg4 h HIS 207 CO 0.05 0.62 0.29 0.00 -1.30 0.00 0.00 177.93 177.59 1sg4 h ALA 208 N 1.20 0.93 -0.25 5.26 0.00 -1.91 0.17 119.26 124.66 1sg4 h ALA 208 Ca 0.24 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sg4 h ALA 208 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1sg4 h ALA 208 CO -0.04 0.55 0.11 -0.09 0.00 0.00 0.00 179.25 179.78 1sg4 h ARG 209 N 1.02 0.24 -0.56 0.00 2.43 -0.93 -1.27 114.38 115.31 1sg4 h ARG 209 Ca 0.24 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1sg4 h ARG 209 Cb 0.20 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1sg4 h ARG 209 CO -0.02 0.16 0.35 1.96 -1.51 0.00 0.00 179.97 180.91 1sg4 h GLN 210 N 0.25 0.75 -0.58 0.20 4.20 -0.49 -0.40 115.11 119.05 1sg4 h GLN 210 Ca 0.11 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1sg4 h GLN 210 Cb 0.04 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1sg4 h GLN 210 CO -0.08 0.52 0.17 -0.07 -0.67 0.00 0.00 178.83 178.70 1sg4 h LEU 211 N 0.76 0.82 -0.25 1.46 3.38 -0.82 -1.50 115.31 119.14 1sg4 h LEU 211 Ca 0.20 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1sg4 h LEU 211 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1sg4 h LEU 211 CO -0.04 0.78 -0.06 0.74 0.09 0.00 0.00 178.44 179.94 1sg4 h THR 212 N 0.85 1.28 -0.46 0.22 2.02 -0.73 -1.14 112.91 114.96 1sg4 h THR 212 Ca 0.19 -1.08 0.05 0.00 0.77 0.00 0.00 66.41 66.34 1sg4 h THR 212 Cb 0.26 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1sg4 h THR 212 CO -0.01 0.34 0.20 0.50 0.37 0.00 0.00 175.52 176.92 1sg4 h LYS 213 N 0.24 0.39 -0.61 6.66 3.64 -0.93 -2.48 116.57 123.48 1sg4 h LYS 213 Ca 0.06 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1sg4 h LYS 213 Cb 0.53 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 1sg4 h LYS 213 CO 0.03 0.26 0.19 0.00 -2.27 0.00 0.00 179.45 177.65 1sg4 h ALA 214 N 1.27 0.80 -0.38 5.00 0.00 -1.14 -2.04 119.26 122.76 1sg4 h ALA 214 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sg4 h ALA 214 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1sg4 h ALA 214 CO -0.17 0.47 0.17 1.98 0.00 0.00 0.00 179.25 181.69 1sg4 h MET 215 N 0.87 0.54 -0.01 0.00 1.85 -0.85 -0.35 114.93 116.98 1sg4 h MET 215 Ca 0.20 -0.06 -0.15 0.00 -0.61 0.00 0.00 59.70 59.08 1sg4 h MET 215 Cb 0.29 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 1sg4 h MET 215 CO -0.01 0.44 -0.69 0.52 -0.40 0.00 0.00 176.91 176.77 1sg4 h MET 216 N 0.54 0.03 0.00 0.39 2.86 -1.01 -3.37 114.93 114.37 1sg4 h MET 216 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1sg4 h MET 216 Cb 0.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1sg4 h MET 216 CO -0.02 0.71 -0.70 0.54 1.06 0.00 0.00 176.91 178.50 1sg4 n ARG 217 N -3.73 2.99 -0.26 1.72 1.74 -0.81 -4.70 116.66 113.60 1sg4 n ARG 217 Ca -0.01 -0.02 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1sg4 n ARG 217 Cb 0.68 -1.01 0.12 0.00 -1.02 0.00 0.00 32.46 31.23 1sg4 n ARG 217 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1sg4 h LYS 218 N 0.00 1.11 -0.57 5.56 2.10 -1.23 -1.57 116.57 121.97 1sg4 h LYS 218 Ca 0.00 -0.18 -0.07 0.00 -2.00 0.00 0.00 60.65 58.40 1sg4 h LYS 218 Cb 0.27 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 1sg4 h LYS 218 CO 0.00 0.88 0.07 0.00 -2.00 0.00 0.00 179.45 178.40 1sg4 h ALA 219 N 1.27 1.04 -0.26 0.07 0.00 -1.84 0.78 119.26 120.33 1sg4 h ALA 219 Ca 0.26 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1sg4 h ALA 219 Cb 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1sg4 h ALA 219 CO -0.03 0.61 -0.25 1.15 0.00 0.00 0.00 179.25 180.73 1sg4 h THR 220 N 0.88 1.31 -0.60 0.00 2.02 -1.76 -2.80 112.91 111.96 1sg4 h THR 220 Ca 0.18 -1.41 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 1sg4 h THR 220 Cb 0.42 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1sg4 h THR 220 CO 0.01 0.44 0.09 0.00 0.37 0.00 0.00 175.52 176.44 1sg4 h ALA 221 N 0.69 1.03 -0.32 6.16 0.00 -1.10 -2.81 119.26 122.90 1sg4 h ALA 221 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sg4 h ALA 221 Cb 0.81 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1sg4 h ALA 221 CO 0.06 0.62 0.06 1.03 0.00 0.00 0.00 179.25 181.02 1sg4 h SER 222 N 0.92 0.43 -0.77 0.00 0.87 -0.70 -0.55 113.55 113.75 1sg4 h SER 222 Ca 0.19 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1sg4 h SER 222 Cb 0.41 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 1sg4 h SER 222 CO 0.01 0.45 0.43 0.03 -0.53 0.00 0.00 176.83 177.22 1sg4 h ARG 223 N 0.46 1.07 0.07 2.24 3.08 -1.23 -0.23 114.38 119.85 1sg4 h ARG 223 Ca 0.11 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1sg4 h ARG 223 Cb 0.21 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1sg4 h ARG 223 CO -0.00 0.78 -0.53 1.25 -1.07 0.00 0.00 179.97 180.40 1sg4 h LEU 224 N 1.08 0.34 -0.85 3.04 5.85 -1.38 -3.27 115.31 120.11 1sg4 h LEU 224 Ca 0.27 -0.91 0.10 0.00 0.84 0.00 0.00 57.88 58.18 1sg4 h LEU 224 Cb 0.02 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1sg4 h LEU 224 CO -0.05 1.22 0.49 0.58 -0.34 0.00 0.00 178.44 180.35 1sg4 h VAL 225 N -0.49 0.92 0.00 1.05 2.07 -0.74 -1.26 116.25 117.78 1sg4 h VAL 225 Ca -0.09 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sg4 h VAL 225 Cb 1.37 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1sg4 h VAL 225 CO 0.10 0.15 0.00 0.35 0.02 0.00 0.00 177.57 178.19 1sg4 n THR 226 N -4.72 0.51 -1.30 2.57 -2.24 -0.13 -3.21 114.28 105.77 1sg4 n THR 226 Ca 0.14 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1sg4 n THR 226 Cb 0.28 -0.73 0.13 0.00 -2.10 0.00 0.00 70.33 67.92 1sg4 n THR 226 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sg4 n GLN 227 N -1.90 1.15 -0.18 -0.78 6.02 -0.79 -4.88 117.38 116.02 1sg4 n GLN 227 Ca 0.05 -2.51 -0.09 0.00 -0.01 0.00 0.00 57.00 54.45 1sg4 n GLN 227 Cb 0.33 -1.37 0.04 0.00 1.02 0.00 0.00 30.24 30.26 1sg4 n GLN 227 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1sg4 h ARG 228 N 0.19 1.00 -0.39 -1.09 2.43 -1.22 0.58 114.38 115.87 1sg4 h ARG 228 Ca -0.01 -0.34 -0.16 0.00 -0.81 0.00 0.00 59.98 58.66 1sg4 h ARG 228 Cb 1.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1sg4 h ARG 228 CO 0.00 1.02 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.66 1sg4 h ASP 229 N 0.90 1.01 -0.66 -3.80 3.32 -1.87 -0.72 116.42 114.60 1sg4 h ASP 229 Ca 0.15 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1sg4 h ASP 229 Cb 0.61 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1sg4 h ASP 229 CO 0.04 1.27 0.37 0.00 -1.72 0.00 0.00 179.24 179.20 1sg4 h ALA 230 N 0.78 1.39 -0.32 3.45 0.00 -1.86 -0.46 119.26 122.25 1sg4 h ALA 230 Ca 0.06 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1sg4 h ALA 230 Cb 0.98 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1sg4 h ALA 230 CO 0.10 0.50 -0.35 0.22 0.00 0.00 0.00 179.25 179.72 1sg4 h ASP 231 N 0.94 0.77 -0.50 0.00 3.58 -0.45 -0.51 116.42 120.25 1sg4 h ASP 231 Ca 0.24 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1sg4 h ASP 231 Cb 0.01 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1sg4 h ASP 231 CO -0.04 1.05 0.27 0.58 -2.88 0.00 0.00 179.24 178.21 1sg4 h VAL 232 N 0.61 1.18 -0.37 2.25 2.07 -0.54 -1.89 116.25 119.54 1sg4 h VAL 232 Ca 0.06 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1sg4 h VAL 232 Cb 0.89 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1sg4 h VAL 232 CO 0.08 0.19 0.09 1.56 0.02 0.00 0.00 177.57 179.51 1sg4 h GLN 233 N 0.66 0.55 -0.48 1.57 1.08 -0.73 0.11 115.11 117.87 1sg4 h GLN 233 Ca 0.17 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1sg4 h GLN 233 Cb 0.07 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1sg4 h GLN 233 CO -0.03 0.51 0.18 -0.91 -0.95 0.00 0.00 178.83 177.63 1sg4 h ASN 234 N 0.54 0.68 -0.17 1.46 2.35 -0.78 0.19 115.58 119.85 1sg4 h ASN 234 Ca 0.13 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1sg4 h ASN 234 Cb 0.21 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1sg4 h ASN 234 CO -0.00 0.68 0.06 0.15 -1.65 0.00 0.00 177.43 176.66 1sg4 h PHE 235 N 0.64 0.27 -0.49 1.19 3.57 -0.48 -2.69 116.94 118.95 1sg4 h PHE 235 Ca 0.16 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1sg4 h PHE 235 Cb 0.22 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1sg4 h PHE 235 CO 0.01 0.36 0.27 0.28 -2.23 0.00 0.00 178.31 176.99 1sg4 h VAL 236 N 0.11 1.17 -0.16 1.41 2.07 -0.54 -0.54 116.25 119.77 1sg4 h VAL 236 Ca 0.06 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1sg4 h VAL 236 Cb 0.21 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1sg4 h VAL 236 CO -0.00 0.19 0.02 0.77 0.02 0.00 0.00 177.57 178.57 1sg4 h SER 237 N 0.66 0.20 0.08 0.57 4.64 -0.61 0.18 113.55 119.28 1sg4 h SER 237 Ca 0.17 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1sg4 h SER 237 Cb 0.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1sg4 h SER 237 CO -0.03 0.23 -0.04 0.15 -0.87 0.00 0.00 176.83 176.27 1sg4 h PHE 238 N 0.23 -0.11 0.00 4.77 3.57 -0.88 -3.21 116.94 121.31 1sg4 h PHE 238 Ca 0.06 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sg4 h PHE 238 Cb 0.12 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1sg4 h PHE 238 CO 0.00 0.34 0.00 0.97 -2.23 0.00 0.00 178.31 177.39 1sg4 h ILE 239 N -0.95 0.00 0.00 1.41 6.09 -1.18 -2.73 117.51 120.14 1sg4 h ILE 239 Ca -0.01 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1sg4 h ILE 239 Cb 0.49 1.32 0.00 0.00 0.47 0.00 0.00 36.82 39.10 1sg4 h ILE 239 CO 0.02 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 173.90 1sg4 n SER 240 N -2.44 0.00 -4.77 2.19 7.64 0.64 -4.21 113.62 112.67 1sg4 n SER 240 Ca 0.03 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.83 1sg4 n SER 240 Cb 0.34 -0.44 -0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1sg4 n SER 240 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1sg4 s LYS 241 N -2.88 4.10 0.26 1.43 1.02 -1.03 -4.86 119.74 117.78 1sg4 s LYS 241 Ca 0.17 2.60 -0.03 0.00 0.02 0.00 0.00 55.97 58.73 1sg4 s LYS 241 Cb 0.19 -2.98 0.38 0.00 -0.52 0.00 0.00 37.83 34.90 1sg4 s LYS 241 CO 0.50 -0.59 1.89 -0.44 -0.92 0.00 0.00 175.35 175.79 1sg4 h ASP 242 N 3.57 1.04 0.63 2.83 3.32 -1.91 0.13 116.42 126.03 1sg4 h ASP 242 Ca -0.50 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 1sg4 h ASP 242 Cb 1.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1sg4 h ASP 242 CO 0.69 0.68 -0.44 0.77 -1.72 0.00 0.00 179.24 179.21 1sg4 h SER 243 N 1.19 0.00 0.24 6.45 4.64 -1.95 0.12 113.55 124.23 1sg4 h SER 243 Ca 0.42 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.41 1sg4 h SER 243 Cb 0.12 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1sg4 h SER 243 CO -0.16 0.44 -1.48 0.40 -0.87 0.00 0.00 176.83 175.16 1sg4 h ILE 244 N 0.00 1.24 -0.50 0.95 1.08 -1.64 -1.37 117.51 117.27 1sg4 h ILE 244 Ca -0.00 -2.65 0.10 0.00 -0.39 0.00 0.00 64.86 61.92 1sg4 h ILE 244 Cb 0.88 3.01 -0.10 0.00 -3.07 0.00 0.00 36.82 37.54 1sg4 h ILE 244 CO 0.06 0.81 -0.14 1.56 -0.69 0.00 0.00 178.15 179.75 1sg4 h GLN 245 N 0.09 -0.01 -0.74 2.37 4.20 -0.69 0.43 115.11 120.76 1sg4 h GLN 245 Ca -0.27 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.56 1sg4 h GLN 245 Cb 2.12 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.82 1sg4 h GLN 245 CO 0.25 -0.01 0.36 -0.22 -0.67 0.00 0.00 178.83 178.54 1sg4 h LYS 246 N -0.01 0.56 0.00 1.46 3.11 -0.76 -2.33 116.57 118.60 1sg4 h LYS 246 Ca 0.24 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1sg4 h LYS 246 Cb 0.38 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.48 1sg4 h LYS 246 CO -0.52 0.37 -0.03 1.03 -2.81 0.00 0.00 179.45 177.49 1sg4 h SER 247 N 0.58 0.00 -0.67 4.20 0.87 0.88 -0.88 113.55 118.52 1sg4 h SER 247 Ca 0.38 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 61.04 1sg4 h SER 247 Cb 0.46 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1sg4 h SER 247 CO -0.31 0.03 0.45 -0.07 -0.53 0.00 0.00 176.83 176.40 1sg4 h LEU 248 N 0.00 0.45 -2.48 2.23 3.38 -0.10 -0.38 115.31 118.41 1sg4 h LEU 248 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sg4 h LEU 248 Cb 0.87 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1sg4 h LEU 248 CO 0.00 0.27 0.16 1.56 0.09 0.00 0.00 178.44 180.53 1sg4 h GLN 249 N 0.50 0.00 0.00 1.13 7.50 -1.02 -3.52 115.11 119.69 1sg4 h GLN 249 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1sg4 h GLN 249 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 1sg4 h GLN 249 CO -0.10 0.00 0.00 -0.12 -1.50 0.00 0.00 178.83 177.11