#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg4 h ARG 4 N 0.00 0.00 -3.92 3.69 2.47 -1.95 -3.43 114.38 111.24 1sg4 h ARG 4 Ca 0.00 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 58.20 1sg4 h ARG 4 Cb 0.00 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 27.94 1sg4 h ARG 4 CO 0.00 0.03 -0.78 0.08 0.56 0.00 0.00 179.97 179.86 1sg4 s VAL 5 N -3.29 0.80 -0.21 2.04 1.01 -1.26 0.14 120.40 119.63 1sg4 s VAL 5 Ca 0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1sg4 s VAL 5 Cb 0.08 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1sg4 s VAL 5 CO 0.77 0.10 0.17 -0.76 0.00 0.00 0.00 175.10 175.38 1sg4 s LEU 6 N 1.77 4.18 -0.25 3.92 1.43 -0.15 -4.94 118.68 124.64 1sg4 s LEU 6 Ca 0.02 0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1sg4 s LEU 6 Cb -0.15 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1sg4 s LEU 6 CO -0.07 0.12 -0.01 -0.69 0.23 0.00 0.00 176.35 175.93 1sg4 s VAL 7 N 0.63 3.41 -0.38 -1.59 1.01 -1.26 -0.37 120.40 121.85 1sg4 s VAL 7 Ca 0.09 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1sg4 s VAL 7 Cb -0.12 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.67 1sg4 s VAL 7 CO 0.01 0.24 0.15 -1.61 0.00 0.00 0.00 175.10 173.88 1sg4 s GLU 8 N 1.44 2.07 0.31 2.72 2.02 0.29 -4.97 118.70 122.58 1sg4 s GLU 8 Ca 0.03 -1.69 -0.29 0.00 0.02 0.00 0.00 54.97 53.04 1sg4 s GLU 8 Cb -0.16 -3.47 -0.10 0.00 0.10 0.00 0.00 34.13 30.50 1sg4 s GLU 8 CO -0.02 -0.96 1.40 -2.14 0.02 0.00 0.00 175.26 173.56 1sg4 s PRO 9 N 1.16 4.27 0.57 0.39 0.02 -1.26 -1.04 135.00 139.11 1sg4 s PRO 9 Ca 0.05 2.33 -0.19 0.00 0.02 0.00 0.00 61.00 63.21 1sg4 s PRO 9 Cb -0.22 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 1sg4 s PRO 9 CO -0.04 -0.35 1.16 -0.51 -0.33 0.00 0.00 177.00 176.93 1sg4 s ASP 10 N -0.09 5.45 0.29 2.53 1.11 -0.32 -4.90 116.67 120.74 1sg4 s ASP 10 Ca 0.54 2.25 -0.29 0.00 0.18 0.00 0.00 52.55 55.23 1sg4 s ASP 10 Cb -0.42 -2.59 -0.13 0.00 1.07 0.00 0.00 42.92 40.86 1sg4 s ASP 10 CO 0.51 -1.41 1.35 0.00 1.18 0.00 0.00 175.17 176.81 1sg4 n ALA 11 N -1.50 1.27 -0.49 5.23 0.00 -1.26 -1.11 120.51 122.64 1sg4 n ALA 11 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1sg4 n ALA 11 Cb 0.50 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1sg4 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg4 n GLY 12 N 1.46 1.33 7.00 0.00 0.00 -1.26 -4.95 105.19 108.77 1sg4 n GLY 12 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1sg4 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg4 n ALA 13 N -0.04 0.00 0.00 4.61 0.00 -0.27 -4.89 120.51 119.92 1sg4 n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sg4 n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sg4 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg4 n GLY 14 N 0.00 1.53 3.41 0.00 0.00 -0.26 -4.69 105.19 105.18 1sg4 n GLY 14 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.67 0.18 1.61 1.01 -1.26 -0.84 120.40 123.77 1sg4 s VAL 15 Ca 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1sg4 s VAL 15 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1sg4 s VAL 15 CO 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 175.10 175.44 1sg4 s ALA 16 N -0.70 2.35 -0.23 5.51 0.00 -0.69 -1.17 121.76 126.83 1sg4 s ALA 16 Ca 0.11 -1.58 -0.07 0.00 0.00 0.00 0.00 51.96 50.42 1sg4 s ALA 16 Cb -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1sg4 s ALA 16 CO 0.00 0.37 0.06 0.08 0.00 0.00 0.00 175.76 176.27 1sg4 s VAL 17 N -1.76 4.36 -0.34 0.00 1.01 -0.20 -1.08 120.40 122.39 1sg4 s VAL 17 Ca 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1sg4 s VAL 17 Cb -0.07 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1sg4 s VAL 17 CO 0.09 0.38 0.22 -0.32 0.00 0.00 0.00 175.10 175.47 1sg4 s MET 18 N 1.23 3.40 -0.22 2.72 1.75 0.16 -0.55 119.30 127.80 1sg4 s MET 18 Ca 0.04 -0.70 -0.07 0.00 -1.25 0.00 0.00 55.69 53.72 1sg4 s MET 18 Cb -0.14 -3.75 -0.03 0.00 2.84 0.00 0.00 34.83 33.74 1sg4 s MET 18 CO 0.03 -0.46 0.05 0.15 -0.65 0.00 0.00 175.02 174.14 1sg4 s LYS 19 N 1.69 3.73 0.12 4.11 1.02 0.50 -1.61 119.74 129.29 1sg4 s LYS 19 Ca 0.05 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 1sg4 s LYS 19 Cb -0.17 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 1sg4 s LYS 19 CO 0.09 -0.03 1.17 -0.06 -0.92 0.00 0.00 175.35 175.61 1sg4 s PHE 20 N 1.18 3.47 -0.40 3.18 0.08 0.14 -0.98 117.98 124.66 1sg4 s PHE 20 Ca 0.04 1.40 0.09 0.00 0.12 0.00 0.00 56.93 58.58 1sg4 s PHE 20 Cb -0.14 -3.39 0.30 0.00 -0.57 0.00 0.00 43.02 39.22 1sg4 s PHE 20 CO 0.03 -1.10 0.70 1.17 -0.10 0.00 0.00 175.22 175.92 1sg4 n LYS 21 N 3.25 0.86 -3.84 0.44 4.81 0.12 -1.01 118.16 122.80 1sg4 n LYS 21 Ca 0.06 -3.05 -0.28 0.00 -0.87 0.00 0.00 58.31 54.17 1sg4 n LYS 21 Cb 0.46 -1.44 -0.12 0.00 0.02 0.00 0.00 35.03 33.95 1sg4 n LYS 21 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sg4 n ASN 22 N 0.82 2.98 -4.74 3.14 5.15 -1.25 -4.21 115.26 117.16 1sg4 n ASN 22 Ca 0.20 -3.21 -0.32 0.00 -0.60 0.00 0.00 54.58 50.65 1sg4 n ASN 22 Cb 0.61 -0.74 0.10 0.00 -0.53 0.00 0.00 39.78 39.22 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 -1.52 2.06 0.00 1.20 0.04 -1.26 -0.66 135.00 134.85 1sg4 s PRO 23 Ca 0.27 1.43 0.26 0.00 0.04 0.00 0.00 61.00 63.00 1sg4 s PRO 23 Cb -0.02 -1.86 0.69 0.00 0.04 0.00 0.00 34.50 33.36 1sg4 s PRO 23 CO -0.16 -1.83 1.55 -0.35 0.04 0.00 0.00 177.00 176.25 1sg4 n PRO 24 N -3.27 0.01 -0.51 0.56 -0.04 -1.26 -4.75 135.00 125.74 1sg4 n PRO 24 Ca 0.11 -0.01 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 1sg4 n PRO 24 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.49 0.29 -3.84 0.52 0.24 -1.21 -4.93 118.33 107.90 1sg4 n VAL 25 Ca 0.06 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.34 61.66 1sg4 n VAL 25 Cb 0.34 0.42 0.03 0.00 -1.47 0.00 0.00 33.84 33.16 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 -0.18 -4.10 -4.75 -1.34 3.02 0.16 -0.85 115.26 107.22 1sg4 n ASN 26 Ca 0.03 -0.77 -0.41 0.00 -0.03 0.00 0.00 54.58 53.39 1sg4 n ASN 26 Cb 0.72 -4.02 -0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1sg4 n ASN 26 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1sg4 n SER 27 N -2.90 3.55 -4.02 6.41 2.88 -1.25 -4.04 113.62 114.25 1sg4 n SER 27 Ca -0.04 1.22 -0.43 0.00 -1.33 0.00 0.00 58.87 58.29 1sg4 n SER 27 Cb 0.56 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1sg4 n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sg4 n LEU 28 N 0.63 6.23 -4.63 2.46 4.77 0.99 -4.84 117.00 122.59 1sg4 n LEU 28 Ca 0.02 -4.26 -0.30 0.00 -0.03 0.00 0.00 56.01 51.45 1sg4 n LEU 28 Cb 0.38 -1.63 0.18 0.00 -2.33 0.00 0.00 43.42 40.02 1sg4 n LEU 28 CO 0.64 0.94 0.62 -0.94 -1.33 0.00 0.00 177.39 177.32 1sg4 s SER 29 N 2.77 2.54 0.17 -1.43 1.04 -1.26 -3.46 113.70 114.06 1sg4 s SER 29 Ca 0.46 1.69 -0.15 0.00 0.48 0.00 0.00 55.95 58.44 1sg4 s SER 29 Cb 0.09 -2.33 0.09 0.00 0.10 0.00 0.00 66.02 63.98 1sg4 s SER 29 CO -0.02 -3.25 1.77 0.25 0.98 0.00 0.00 173.24 172.97 1sg4 h LEU 30 N -1.97 0.28 -0.64 2.42 5.85 -1.96 0.82 115.31 120.12 1sg4 h LEU 30 Ca -0.51 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.30 1sg4 h LEU 30 Cb 1.29 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1sg4 h LEU 30 CO 0.50 0.20 0.33 -0.08 -0.34 0.00 0.00 178.44 179.05 1sg4 h GLU 31 N 0.41 0.58 -0.48 1.25 4.81 -1.99 -1.41 114.58 117.75 1sg4 h GLU 31 Ca 0.19 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1sg4 h GLU 31 Cb 0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1sg4 h GLU 31 CO -0.15 0.39 -0.20 0.35 -0.73 0.00 0.00 179.01 178.66 1sg4 h PHE 32 N 0.60 1.14 -0.64 0.92 3.57 -1.73 -1.19 116.94 119.60 1sg4 h PHE 32 Ca 0.30 -0.27 0.10 0.00 3.53 0.00 0.00 57.97 61.62 1sg4 h PHE 32 Cb 0.24 -0.27 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 1sg4 h PHE 32 CO -0.10 1.10 0.27 -0.07 -2.23 0.00 0.00 178.31 177.28 1sg4 h LEU 33 N 0.85 0.29 -0.30 0.59 3.38 -0.34 -0.02 115.31 119.78 1sg4 h LEU 33 Ca 0.11 0.07 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 1sg4 h LEU 33 Cb 0.78 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1sg4 h LEU 33 CO 0.07 0.17 -0.87 0.71 0.09 0.00 0.00 178.44 178.61 1sg4 h THR 34 N 0.46 1.51 -0.77 0.22 1.35 -1.15 -1.58 112.91 112.96 1sg4 h THR 34 Ca 0.32 -2.66 -0.03 0.00 -0.55 0.00 0.00 66.41 63.49 1sg4 h THR 34 Cb 0.39 2.48 -0.04 0.00 -1.73 0.00 0.00 68.15 69.25 1sg4 h THR 34 CO -0.30 0.77 0.35 -0.33 -0.25 0.00 0.00 175.52 175.76 1sg4 h GLU 35 N 0.08 1.12 -0.41 4.72 5.08 -0.64 -1.19 114.58 123.35 1sg4 h GLU 35 Ca -0.04 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1sg4 h GLU 35 Cb 1.50 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1sg4 h GLU 35 CO 0.13 0.88 0.11 -0.07 -1.00 0.00 0.00 179.01 179.06 1sg4 h LEU 36 N 1.11 0.61 -0.25 1.33 3.38 -0.79 -1.10 115.31 119.60 1sg4 h LEU 36 Ca 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1sg4 h LEU 36 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1sg4 h LEU 36 CO -0.03 0.67 0.09 0.58 0.09 0.00 0.00 178.44 179.83 1sg4 h VAL 37 N 0.52 1.19 -0.57 1.22 2.07 -1.06 -0.85 116.25 118.76 1sg4 h VAL 37 Ca 0.13 -0.59 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1sg4 h VAL 37 Cb 0.29 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1sg4 h VAL 37 CO -0.00 0.19 0.26 0.40 0.02 0.00 0.00 177.57 178.45 1sg4 h ILE 38 N 0.25 1.21 -0.62 4.57 1.08 -1.18 -1.40 117.51 121.41 1sg4 h ILE 38 Ca 0.08 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.93 1sg4 h ILE 38 Cb 0.22 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1sg4 h ILE 38 CO -0.00 0.24 0.34 0.28 -0.69 0.00 0.00 178.15 178.32 1sg4 h SER 39 N 0.78 0.78 -0.37 1.72 0.02 -1.01 -0.41 113.55 115.06 1sg4 h SER 39 Ca 0.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1sg4 h SER 39 Cb 0.14 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1sg4 h SER 39 CO -0.02 0.66 0.19 0.25 -1.14 0.00 0.00 176.83 176.76 1sg4 h LEU 40 N 0.85 0.47 -0.87 5.07 5.85 -0.98 -2.13 115.31 123.56 1sg4 h LEU 40 Ca 0.22 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1sg4 h LEU 40 Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1sg4 h LEU 40 CO -0.03 0.44 0.58 -0.33 -0.34 0.00 0.00 178.44 178.76 1sg4 h GLU 41 N 0.46 1.15 -0.61 1.25 5.08 -0.96 0.90 114.58 121.86 1sg4 h GLU 41 Ca 0.13 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1sg4 h GLU 41 Cb 0.09 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1sg4 h GLU 41 CO -0.02 0.76 0.37 0.87 -1.00 0.00 0.00 179.01 180.00 1sg4 h LYS 42 N 1.19 0.72 -0.37 2.33 1.57 -0.85 0.21 116.57 121.37 1sg4 h LYS 42 Ca 0.32 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1sg4 h LYS 42 Cb -0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 1sg4 h LYS 42 CO -0.07 0.48 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.90 1sg4 h LEU 43 N 0.74 0.85 -0.04 2.94 3.38 -0.83 -0.61 115.31 121.73 1sg4 h LEU 43 Ca 0.24 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1sg4 h LEU 43 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1sg4 h LEU 43 CO -0.10 1.10 -0.05 -0.33 0.09 0.00 0.00 178.44 179.15 1sg4 h GLU 44 N 0.68 -0.07 0.00 1.13 5.08 -0.37 -3.08 114.58 117.96 1sg4 h GLU 44 Ca 0.07 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1sg4 h GLU 44 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1sg4 h GLU 44 CO 0.08 -0.04 -0.33 -0.91 -1.00 0.00 0.00 179.01 176.81 1sg4 h ASN 45 N -0.07 0.00 -2.97 1.42 2.35 -0.74 -3.42 115.58 112.15 1sg4 h ASN 45 Ca 0.04 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.22 1sg4 h ASN 45 Cb 0.12 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1sg4 h ASN 45 CO -0.08 0.33 1.00 -0.62 -1.65 0.00 0.00 177.43 176.40 1sg4 s ASP 46 N -6.53 6.66 0.07 5.81 -1.08 -0.26 -4.88 116.67 116.47 1sg4 s ASP 46 Ca -0.01 1.46 0.20 0.00 -0.52 0.00 0.00 52.55 53.68 1sg4 s ASP 46 Cb 0.12 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.86 1sg4 s ASP 46 CO 0.68 -1.05 1.62 0.29 0.52 0.00 0.00 175.17 177.23 1sg4 n LYS 47 N 7.24 0.06 0.03 4.34 5.02 -1.26 -2.02 118.16 131.57 1sg4 n LYS 47 Ca 0.16 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.81 1sg4 n LYS 47 Cb 0.46 -1.61 0.47 0.00 -0.02 0.00 0.00 35.03 34.32 1sg4 n LYS 47 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1sg4 n SER 48 N -1.73 0.18 -4.14 4.39 7.64 -1.26 -4.76 113.62 113.95 1sg4 n SER 48 Ca 0.04 0.53 -0.30 0.00 1.01 0.00 0.00 58.87 60.15 1sg4 n SER 48 Cb 0.23 -0.57 -0.17 0.00 -1.01 0.00 0.00 64.21 62.69 1sg4 n SER 48 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1sg4 s PHE 49 N -3.05 2.19 0.00 1.43 0.08 -0.86 -1.10 117.98 116.67 1sg4 s PHE 49 Ca 0.10 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.23 1sg4 s PHE 49 Cb 0.14 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1sg4 s PHE 49 CO 0.43 -0.41 0.11 0.54 -0.10 0.00 0.00 175.22 175.79 1sg4 n ARG 50 N 3.76 2.97 -3.95 0.44 1.74 -0.02 -4.78 116.66 116.83 1sg4 n ARG 50 Ca -0.20 -0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.67 1sg4 n ARG 50 Cb 0.52 -0.50 -0.11 0.00 -1.02 0.00 0.00 32.46 31.35 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 -0.46 0.18 -0.01 -0.13 0.00 -0.99 -1.23 107.32 104.68 1sg4 s GLY 51 Ca 0.00 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.28 1sg4 s GLY 51 CO 0.00 -0.53 -0.04 0.14 0.00 0.00 0.00 173.10 172.67 1sg4 s VAL 52 N -1.39 0.35 -0.22 1.40 1.01 0.27 -1.71 120.40 120.11 1sg4 s VAL 52 Ca -0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1sg4 s VAL 52 Cb -0.09 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1sg4 s VAL 52 CO -0.00 0.12 0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1sg4 s ILE 53 N 0.15 5.34 -0.19 2.22 1.01 -0.24 -1.29 121.20 128.20 1sg4 s ILE 53 Ca -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 1sg4 s ILE 53 Cb -0.05 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1sg4 s ILE 53 CO -0.00 0.35 0.10 -0.76 0.00 0.00 0.00 174.94 174.62 1sg4 s LEU 54 N 0.97 4.01 0.21 2.97 1.43 0.33 -0.66 118.68 127.94 1sg4 s LEU 54 Ca 0.10 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 1sg4 s LEU 54 Cb -0.13 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.11 1sg4 s LEU 54 CO 0.04 0.17 0.64 0.28 0.23 0.00 0.00 176.35 177.71 1sg4 s THR 55 N 0.38 0.00 0.23 5.49 -1.32 -0.63 -0.75 115.64 119.04 1sg4 s THR 55 Ca 0.05 -0.48 -0.26 0.00 -1.21 0.00 0.00 61.69 59.80 1sg4 s THR 55 Cb -0.12 -1.45 -0.09 0.00 -1.51 0.00 0.00 72.50 69.33 1sg4 s THR 55 CO -0.01 -0.01 0.86 -0.55 -2.21 0.00 0.00 174.62 172.70 1sg4 s SER 56 N -2.83 7.41 0.19 8.08 0.15 -1.26 -0.68 113.70 124.76 1sg4 s SER 56 Ca 0.06 1.75 -0.12 0.00 0.70 0.00 0.00 55.95 58.34 1sg4 s SER 56 Cb -0.03 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.92 1sg4 s SER 56 CO -0.04 0.11 1.79 -0.78 1.20 0.00 0.00 173.24 175.52 1sg4 h ASP 57 N 3.89 0.42 -3.32 5.45 3.58 -1.33 -3.40 116.42 121.71 1sg4 h ASP 57 Ca -0.46 0.03 -0.64 0.00 0.42 0.00 0.00 57.03 56.37 1sg4 h ASP 57 Cb 1.20 -0.05 -0.23 0.00 1.72 0.00 0.00 39.33 41.97 1sg4 h ASP 57 CO 0.66 0.28 -0.70 0.00 -2.88 0.00 0.00 179.24 176.61 1sg4 s ARG 58 N -6.12 3.58 0.61 0.28 1.70 -1.26 -5.06 118.95 112.68 1sg4 s ARG 58 Ca -0.13 -0.57 -0.18 0.00 -0.47 0.00 0.00 55.73 54.38 1sg4 s ARG 58 Cb 0.15 -2.85 -0.03 0.00 -0.57 0.00 0.00 34.95 31.65 1sg4 s ARG 58 CO 0.74 0.21 1.18 -1.25 -1.08 0.00 0.00 175.30 175.10 1sg4 s PRO 59 N 0.42 2.94 0.00 3.89 0.04 -1.26 -4.33 135.00 136.70 1sg4 s PRO 59 Ca -0.06 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1sg4 s PRO 59 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1sg4 s PRO 59 CO 0.03 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1sg4 n GLY 60 N 0.27 3.55 2.88 0.56 0.00 -0.26 -4.99 105.19 107.19 1sg4 n GLY 60 Ca 0.13 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 0.87 -0.00 1.61 1.01 -1.26 -1.05 120.40 121.58 1sg4 s VAL 61 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 1sg4 s VAL 61 Cb 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 36.38 35.35 1sg4 s VAL 61 CO 0.00 0.34 0.90 0.15 0.00 0.00 0.00 175.10 176.49 1sg4 h PHE 62 N 8.15 -0.66 -2.28 5.22 3.57 -0.96 -3.44 116.94 126.53 1sg4 h PHE 62 Ca -0.28 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.15 1sg4 h PHE 62 Cb 1.13 0.22 -0.23 0.00 2.79 0.00 0.00 35.95 39.86 1sg4 h PHE 62 CO 0.48 -0.41 -0.05 0.45 -2.23 0.00 0.00 178.31 176.54 1sg4 s SER 63 N -4.31 -0.68 0.00 0.41 0.15 -1.20 -4.69 113.70 103.38 1sg4 s SER 63 Ca -0.10 1.22 0.19 0.00 0.70 0.00 0.00 55.95 57.96 1sg4 s SER 63 Cb 0.01 1.19 0.82 0.00 -1.71 0.00 0.00 66.02 66.33 1sg4 s SER 63 CO 0.31 -0.21 1.59 0.00 1.20 0.00 0.00 173.24 176.13 1sg4 n ALA 64 N 3.34 1.87 0.00 5.45 0.00 -0.03 -3.78 120.51 127.36 1sg4 n ALA 64 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1sg4 n ALA 64 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1sg4 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg4 n GLY 65 N 0.39 -0.60 3.72 0.00 0.00 -1.26 -4.52 105.19 102.92 1sg4 n GLY 65 Ca 0.05 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 4.49 -4.56 0.99 4.77 -1.26 -0.01 117.00 121.42 1sg4 n LEU 66 Ca 0.00 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 1sg4 n LEU 66 Cb 0.00 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.52 1sg4 n LEU 66 CO 0.00 -0.50 1.01 -0.62 -1.33 0.00 0.00 177.39 175.95 1sg4 s ASP 67 N -0.55 6.37 0.60 -1.43 -1.08 -1.23 -4.63 116.67 114.73 1sg4 s ASP 67 Ca 0.62 -0.13 0.37 0.00 -0.52 0.00 0.00 52.55 52.89 1sg4 s ASP 67 Cb -0.48 -2.52 1.92 0.00 -1.46 0.00 0.00 42.92 40.38 1sg4 s ASP 67 CO 0.57 -1.48 2.21 -0.07 0.52 0.00 0.00 175.17 176.93 1sg4 h LEU 68 N 11.85 0.00 -1.36 -1.34 3.38 -1.94 0.56 115.31 126.46 1sg4 h LEU 68 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1sg4 h LEU 68 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1sg4 h LEU 68 CO 1.18 0.03 -0.06 0.71 0.09 0.00 0.00 178.44 180.39 1sg4 h THR 69 N 0.00 0.15 0.00 0.22 1.35 -1.98 -0.58 112.91 112.07 1sg4 h THR 69 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1sg4 h THR 69 Cb 0.19 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1sg4 h THR 69 CO 0.00 0.06 0.00 -0.62 -0.25 0.00 0.00 175.52 174.71 1sg4 n GLU 70 N -3.18 0.04 0.00 4.72 -0.58 0.19 -3.79 120.64 118.04 1sg4 n GLU 70 Ca 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sg4 n GLU 70 Cb 0.34 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1sg4 n GLU 70 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1sg4 n MET 71 N -1.47 1.23 0.01 3.49 2.81 -0.28 -4.61 117.12 118.29 1sg4 n MET 71 Ca 0.07 -1.06 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 1sg4 n MET 71 Cb 0.28 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1sg4 n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sg4 n GLY 73 N 2.85 -0.70 3.61 0.00 0.00 -1.26 -5.00 105.19 104.70 1sg4 n GLY 73 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1sg4 n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sg4 s ARG 74 N -1.91 2.04 0.62 1.61 1.81 -1.26 -5.11 118.95 116.74 1sg4 s ARG 74 Ca 0.00 -2.27 -0.11 0.00 -1.72 0.00 0.00 55.73 51.62 1sg4 s ARG 74 Cb 0.00 -0.97 -0.04 0.00 -0.45 0.00 0.00 34.95 33.49 1sg4 s ARG 74 CO 0.00 -0.44 1.03 -1.54 -0.68 0.00 0.00 175.30 173.67 1sg4 s SER 75 N -3.72 6.15 0.28 0.23 1.04 -1.26 -4.88 113.70 111.55 1sg4 s SER 75 Ca 0.17 1.46 -0.00 0.00 0.48 0.00 0.00 55.95 58.05 1sg4 s SER 75 Cb 0.02 -2.48 0.49 0.00 0.10 0.00 0.00 66.02 64.16 1sg4 s SER 75 CO 0.10 -0.92 1.88 -0.65 0.98 0.00 0.00 173.24 174.63 1sg4 h PRO 76 N -0.28 1.05 -0.34 4.02 0.11 -1.99 -1.54 132.00 133.02 1sg4 h PRO 76 Ca -0.44 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1sg4 h PRO 76 Cb 1.19 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1sg4 h PRO 76 CO 0.61 0.69 -0.26 0.00 -0.21 0.00 0.00 178.00 178.84 1sg4 h ALA 77 N 1.50 0.91 -0.38 -0.75 0.00 -1.99 -1.37 119.26 117.18 1sg4 h ALA 77 Ca 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sg4 h ALA 77 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1sg4 h ALA 77 CO -0.19 0.62 0.25 1.25 0.00 0.00 0.00 179.25 181.18 1sg4 h HIS 78 N 0.60 0.48 -0.59 0.00 6.17 -1.74 0.73 115.15 120.79 1sg4 h HIS 78 Ca 0.08 0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.22 1sg4 h HIS 78 Cb 0.75 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 30.47 1sg4 h HIS 78 CO 0.04 0.31 0.32 1.88 0.71 0.00 0.00 177.93 181.19 1sg4 h TYR 79 N 0.51 0.59 -0.50 5.26 0.05 -1.01 -0.86 116.97 121.02 1sg4 h TYR 79 Ca 0.14 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 1sg4 h TYR 79 Cb -0.05 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 1sg4 h TYR 79 CO -0.05 0.29 0.03 0.00 -1.05 0.00 0.00 178.16 177.38 1sg4 h ALA 80 N 1.30 0.68 -0.24 3.88 0.00 -0.86 -0.70 119.26 123.32 1sg4 h ALA 80 Ca 0.26 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1sg4 h ALA 80 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1sg4 h ALA 80 CO -0.16 0.46 -0.44 0.78 0.00 0.00 0.00 179.25 179.89 1sg4 h GLY 81 N 0.74 0.66 1.00 0.00 0.00 -0.61 -1.17 103.07 103.70 1sg4 h GLY 81 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1sg4 h GLY 81 CO 0.02 0.63 0.23 -1.82 0.00 0.00 0.00 176.54 175.60 1sg4 h TYR 82 N 0.49 0.45 -0.45 5.60 3.20 -1.05 -2.36 116.97 122.85 1sg4 h TYR 82 Ca 0.03 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1sg4 h TYR 82 Cb 0.97 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 1sg4 h TYR 82 CO 0.04 0.30 -0.14 2.35 -1.64 0.00 0.00 178.16 179.07 1sg4 h TRP 83 N 0.48 0.93 -0.94 -3.82 2.91 -0.87 -0.84 115.95 113.80 1sg4 h TRP 83 Ca 0.13 -0.19 0.08 0.00 1.13 0.00 0.00 58.89 60.05 1sg4 h TRP 83 Cb -0.04 -0.23 -0.07 0.00 -0.51 0.00 0.00 29.16 28.31 1sg4 h TRP 83 CO -0.05 0.92 0.60 -0.22 -1.03 0.00 0.00 178.44 178.67 1sg4 h LYS 84 N 0.75 0.98 -0.36 2.65 3.64 -1.10 0.20 116.57 123.33 1sg4 h LYS 84 Ca 0.12 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1sg4 h LYS 84 Cb 0.65 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1sg4 h LYS 84 CO 0.05 0.65 -0.31 0.00 -2.27 0.00 0.00 179.45 177.56 1sg4 h ALA 85 N 1.52 0.78 -0.26 5.00 0.00 -0.80 -0.82 119.26 124.68 1sg4 h ALA 85 Ca 0.42 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sg4 h ALA 85 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sg4 h ALA 85 CO -0.18 0.65 0.15 0.28 0.00 0.00 0.00 179.25 180.15 1sg4 h VAL 86 N 0.66 1.11 -0.53 0.00 2.07 -0.34 -1.49 116.25 117.72 1sg4 h VAL 86 Ca 0.07 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1sg4 h VAL 86 Cb 0.85 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1sg4 h VAL 86 CO 0.07 0.11 0.27 1.56 0.02 0.00 0.00 177.57 179.61 1sg4 h GLN 87 N 0.31 0.52 -0.70 1.57 4.20 -0.95 -2.10 115.11 117.96 1sg4 h GLN 87 Ca 0.09 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.80 1sg4 h GLN 87 Cb 0.04 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1sg4 h GLN 87 CO -0.02 0.34 0.44 1.49 -0.67 0.00 0.00 178.83 180.41 1sg4 h GLU 88 N 0.53 0.83 -0.41 1.46 4.57 -0.83 0.29 114.58 121.01 1sg4 h GLU 88 Ca 0.24 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1sg4 h GLU 88 Cb 0.14 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1sg4 h GLU 88 CO -0.16 0.55 0.20 1.25 -1.18 0.00 0.00 179.01 179.66 1sg4 h LEU 89 N 0.85 0.54 -0.34 1.64 5.85 -0.86 -0.31 115.31 122.69 1sg4 h LEU 89 Ca 0.28 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1sg4 h LEU 89 Cb 0.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1sg4 h LEU 89 CO -0.11 0.52 0.19 -0.25 -0.34 0.00 0.00 178.44 178.45 1sg4 h TRP 90 N 0.53 0.46 -0.57 1.25 7.01 -1.03 0.19 115.95 123.79 1sg4 h TRP 90 Ca 0.14 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.13 1sg4 h TRP 90 Cb 0.12 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 1sg4 h TRP 90 CO -0.01 0.36 0.37 -0.07 -2.79 0.00 0.00 178.44 176.29 1sg4 h LEU 91 N 0.43 0.67 -0.35 0.65 3.38 -0.74 0.24 115.31 119.59 1sg4 h LEU 91 Ca 0.12 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 1sg4 h LEU 91 Cb 0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1sg4 h LEU 91 CO -0.02 0.51 -0.48 0.03 0.09 0.00 0.00 178.44 178.57 1sg4 h ARG 92 N 0.78 0.89 0.08 1.13 2.47 -0.88 -2.14 114.38 116.70 1sg4 h ARG 92 Ca 0.21 -0.52 -0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1sg4 h ARG 92 Cb -0.06 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1sg4 h ARG 92 CO -0.04 1.16 -0.04 -0.07 0.56 0.00 0.00 179.97 181.54 1sg4 h LEU 93 N 0.71 -0.09 -1.53 3.04 3.38 -0.81 -2.05 115.31 117.95 1sg4 h LEU 93 Ca 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1sg4 h LEU 93 Cb 1.08 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1sg4 h LEU 93 CO 0.11 0.21 -0.01 0.22 0.09 0.00 0.00 178.44 179.06 1sg4 h TYR 94 N -0.40 0.29 -0.61 1.13 3.20 -0.53 -2.27 116.97 117.78 1sg4 h TYR 94 Ca -0.01 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1sg4 h TYR 94 Cb 0.34 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1sg4 h TYR 94 CO 0.02 0.31 0.00 1.04 -1.64 0.00 0.00 178.16 177.89 1sg4 n GLN 95 N -4.36 3.15 -1.77 1.82 6.02 -0.81 -5.00 117.38 116.43 1sg4 n GLN 95 Ca -0.00 -2.65 -0.41 0.00 -0.01 0.00 0.00 57.00 53.92 1sg4 n GLN 95 Cb 0.19 -1.65 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.02 6.33 0.32 1.08 0.15 -0.77 -4.87 113.70 114.92 1sg4 s SER 96 Ca 0.45 3.02 0.26 0.00 0.70 0.00 0.00 55.95 60.38 1sg4 s SER 96 Cb 0.26 -2.65 0.97 0.00 -1.71 0.00 0.00 66.02 62.89 1sg4 s SER 96 CO 0.26 -0.92 1.78 0.78 1.20 0.00 0.00 173.24 176.33 1sg4 h ASN 97 N 4.04 0.00 -4.16 5.45 2.35 -1.91 -3.45 115.58 117.90 1sg4 h ASN 97 Ca -0.49 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.76 1sg4 h ASN 97 Cb 1.23 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.69 1sg4 h ASN 97 CO 0.73 0.00 0.39 -0.76 -1.65 0.00 0.00 177.43 176.14 1sg4 s LEU 98 N -5.00 3.50 0.02 1.61 1.43 -1.26 -4.85 118.68 114.13 1sg4 s LEU 98 Ca 0.05 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 1sg4 s LEU 98 Cb 0.10 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.70 1sg4 s LEU 98 CO 0.50 -1.52 1.35 -0.69 0.23 0.00 0.00 176.35 176.22 1sg4 s VAL 99 N -2.15 3.74 -0.14 -1.59 1.01 -0.37 -4.96 120.40 115.94 1sg4 s VAL 99 Ca 0.69 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1sg4 s VAL 99 Cb -0.22 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1sg4 s VAL 99 CO 0.37 0.03 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 1sg4 s LEU 100 N 1.95 2.28 -0.08 3.92 1.43 -1.26 -0.57 118.68 126.35 1sg4 s LEU 100 Ca 0.62 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 1sg4 s LEU 100 Cb -0.31 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1sg4 s LEU 100 CO 0.27 0.09 -0.20 -0.69 0.23 0.00 0.00 176.35 176.04 1sg4 s VAL 101 N 0.79 1.77 -0.24 -1.59 1.01 -0.41 -0.09 120.40 121.65 1sg4 s VAL 101 Ca -0.07 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.91 1sg4 s VAL 101 Cb -0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1sg4 s VAL 101 CO -0.01 0.50 0.37 -0.44 0.00 0.00 0.00 175.10 175.52 1sg4 s SER 102 N 0.39 6.33 -0.75 3.32 0.01 -0.42 -0.51 113.70 122.06 1sg4 s SER 102 Ca -0.16 0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.33 1sg4 s SER 102 Cb -0.17 -2.21 0.17 0.00 0.21 0.00 0.00 66.02 64.02 1sg4 s SER 102 CO 0.07 -0.12 0.75 0.00 0.41 0.00 0.00 173.24 174.35 1sg4 s ALA 103 N 1.64 3.81 -0.75 1.44 0.00 0.07 -1.29 121.76 126.68 1sg4 s ALA 103 Ca 0.16 -2.94 -0.23 0.00 0.00 0.00 0.00 51.96 48.96 1sg4 s ALA 103 Cb -0.15 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.51 1sg4 s ALA 103 CO 0.08 -2.32 1.10 0.42 0.00 0.00 0.00 175.76 175.04 1sg4 s ILE 104 N 1.13 4.23 -0.40 0.00 1.01 0.50 -4.40 121.20 123.26 1sg4 s ILE 104 Ca 0.16 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1sg4 s ILE 104 Cb -0.16 -4.78 0.49 0.00 0.01 0.00 0.00 42.46 38.03 1sg4 s ILE 104 CO -0.04 -1.59 1.58 -0.46 0.00 0.00 0.00 174.94 174.42 1sg4 n ASN 105 N 7.98 4.63 -3.76 3.58 6.94 -1.26 -1.58 115.26 131.79 1sg4 n ASN 105 Ca 0.05 -3.77 0.02 0.00 -0.02 0.00 0.00 54.58 50.86 1sg4 n ASN 105 Cb 0.47 -0.66 0.01 0.00 -2.36 0.00 0.00 39.78 37.24 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 -2.55 -0.16 0.48 4.83 0.00 -1.26 -1.10 107.32 107.55 1sg4 s GLY 106 Ca 0.53 0.13 -0.22 0.00 0.00 0.00 0.00 44.72 45.15 1sg4 s GLY 106 CO 0.02 4.42 0.99 0.00 0.00 0.00 0.00 173.10 178.52 1sg4 n ALA 107 N -0.82 0.18 -3.10 3.20 0.00 -0.21 -3.94 120.51 115.82 1sg4 n ALA 107 Ca 0.01 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 1sg4 n ALA 107 Cb 0.59 -2.09 -0.04 0.00 0.00 0.00 0.00 19.45 17.92 1sg4 n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sg4 s PRO 109 N -1.05 0.61 0.00 0.00 0.04 -1.25 -2.23 135.00 131.12 1sg4 s PRO 109 Ca 0.35 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.18 1sg4 s PRO 109 Cb 0.22 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.93 1sg4 s PRO 109 CO -0.12 -2.46 0.00 0.00 0.04 0.00 0.00 177.00 174.45 1sg4 n ALA 110 N -3.85 0.00 0.27 8.56 0.00 -0.59 -0.19 120.51 124.71 1sg4 n ALA 110 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.69 1sg4 n ALA 110 Cb 0.60 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.81 1sg4 n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sg4 h GLY 111 N 0.00 0.00 1.18 0.00 0.00 -1.89 -0.41 103.07 101.95 1sg4 h GLY 111 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1sg4 h GLY 111 CO 0.00 0.00 -0.06 -1.33 0.00 0.00 0.00 176.54 175.15 1sg4 h GLY 112 N 0.32 1.05 1.51 4.60 0.00 -0.67 -2.79 103.07 107.09 1sg4 h GLY 112 Ca -0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 47.33 46.43 1sg4 h GLY 112 CO 0.01 0.73 -0.26 0.00 0.00 0.00 0.00 176.54 177.02 1sg4 h LEU 114 N 0.49 -1.25 -0.25 0.00 6.46 -0.98 0.20 115.31 119.98 1sg4 h LEU 114 Ca 0.07 0.18 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1sg4 h LEU 114 Cb 0.72 0.52 -0.05 0.00 -0.73 0.00 0.00 40.66 41.12 1sg4 h LEU 114 CO 0.05 -0.39 -0.09 0.58 -0.62 0.00 0.00 178.44 177.97 1sg4 h VAL 115 N -0.43 0.68 -0.51 1.05 2.07 -1.18 -1.97 116.25 115.96 1sg4 h VAL 115 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1sg4 h VAL 115 Cb 0.60 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1sg4 h VAL 115 CO -0.43 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.43 1sg4 h ALA 116 N 1.17 0.66 0.00 1.67 0.00 -0.66 -2.31 119.26 119.79 1sg4 h ALA 116 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1sg4 h ALA 116 Cb 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sg4 h ALA 116 CO -0.28 -0.07 -0.10 -0.07 0.00 0.00 0.00 179.25 178.73 1sg4 h LEU 117 N 0.53 0.00 -0.01 0.00 3.38 -0.13 -1.95 115.31 117.13 1sg4 h LEU 117 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1sg4 h LEU 117 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sg4 h LEU 117 CO -0.14 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.84 1sg4 n THR 118 N -3.39 0.15 -1.65 0.22 -2.24 -0.79 -4.87 114.28 101.72 1sg4 n THR 118 Ca -0.01 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 1sg4 n THR 118 Cb 0.28 -0.54 0.09 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.09 0.00 -4.33 0.00 3.32 -0.80 -3.47 116.42 110.05 1sg4 h ASP 120 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 1sg4 h ASP 120 Cb 1.28 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.62 1sg4 h ASP 120 CO 0.61 0.22 -0.01 -0.47 -1.72 0.00 0.00 179.24 177.87 1sg4 s TYR 121 N -3.10 -0.59 -0.10 4.55 5.04 -1.16 -5.03 117.35 116.96 1sg4 s TYR 121 Ca 0.06 1.30 -0.01 0.00 -2.44 0.00 0.00 57.07 55.98 1sg4 s TYR 121 Cb 0.06 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.64 1sg4 s TYR 121 CO 0.71 -0.39 -0.06 1.03 -1.34 0.00 0.00 175.55 175.49 1sg4 s ARG 122 N -0.25 1.37 -0.12 4.97 0.52 -1.26 -1.30 118.95 122.87 1sg4 s ARG 122 Ca -0.04 -0.19 0.01 0.00 -0.52 0.00 0.00 55.73 54.99 1sg4 s ARG 122 Cb -0.03 -1.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.96 1sg4 s ARG 122 CO 0.03 -0.27 -0.17 0.42 0.02 0.00 0.00 175.30 175.33 1sg4 s ILE 123 N 1.73 2.63 -0.14 1.52 1.01 -0.41 -0.66 121.20 126.87 1sg4 s ILE 123 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1sg4 s ILE 123 Cb -0.13 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1sg4 s ILE 123 CO -0.07 0.54 -0.14 -0.22 0.00 0.00 0.00 174.94 175.04 1sg4 s LEU 124 N 0.40 2.62 0.24 2.97 2.96 -0.08 -0.37 118.68 127.42 1sg4 s LEU 124 Ca -0.13 -0.38 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 1sg4 s LEU 124 Cb -0.17 -1.59 -0.09 0.00 0.50 0.00 0.00 46.19 44.84 1sg4 s LEU 124 CO 0.06 0.13 1.28 0.00 -1.32 0.00 0.00 176.35 176.51 1sg4 s ALA 125 N 0.54 3.50 -1.36 5.97 0.00 -0.61 -1.84 121.76 127.95 1sg4 s ALA 125 Ca -0.09 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1sg4 s ALA 125 Cb -0.16 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.56 1sg4 s ALA 125 CO 0.04 -0.51 1.94 -3.47 0.00 0.00 0.00 175.76 173.75 1sg4 n ASP 126 N 2.06 4.51 -4.14 0.00 2.03 0.16 -4.83 116.55 116.34 1sg4 n ASP 126 Ca 0.04 -2.89 -0.28 0.00 0.52 0.00 0.00 54.79 52.18 1sg4 n ASP 126 Cb 0.43 -1.70 -0.17 0.00 -0.72 0.00 0.00 41.12 38.96 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 3.71 2.40 0.24 1.67 3.84 -1.26 -4.50 114.94 121.03 1sg4 s ASN 127 Ca 0.51 -0.41 0.20 0.00 0.21 0.00 0.00 52.86 53.36 1sg4 s ASN 127 Cb 0.08 -0.94 0.93 0.00 -0.55 0.00 0.00 41.25 40.77 1sg4 s ASN 127 CO 0.01 0.13 1.61 -0.81 -2.79 0.00 0.00 177.10 175.24 1sg4 n PRO 128 N 3.45 0.14 0.04 0.43 -0.04 -1.26 -1.07 135.00 136.69 1sg4 n PRO 128 Ca -0.20 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1sg4 n PRO 128 Cb 0.52 -1.84 0.43 0.00 -0.04 0.00 0.00 33.50 32.57 1sg4 n PRO 128 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1sg4 n ARG 129 N -2.12 0.11 -2.90 0.54 1.74 -1.26 -4.58 116.66 108.20 1sg4 n ARG 129 Ca 0.01 0.07 -0.44 0.00 -0.77 0.00 0.00 57.85 56.72 1sg4 n ARG 129 Cb 0.13 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.79 4.02 -3.70 -1.55 4.02 -0.23 -4.29 117.16 113.64 1sg4 n TYR 130 Ca 0.06 -3.20 -0.33 0.00 -0.01 0.00 0.00 57.90 54.41 1sg4 n TYR 130 Cb 0.38 -1.84 -0.05 0.00 -0.02 0.00 0.00 39.34 37.81 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 -1.44 0.96 0.00 0.00 2.07 -0.31 -0.52 121.20 121.96 1sg4 s ILE 132 Ca 0.33 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1sg4 s ILE 132 Cb -0.13 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.62 1sg4 s ILE 132 CO 0.20 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 174.13 1sg4 n GLY 133 N 3.18 0.10 3.26 1.50 0.00 -0.95 -0.44 105.19 111.84 1sg4 n GLY 133 Ca -0.18 -1.10 -0.44 0.00 0.00 0.00 0.00 46.02 44.31 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 6.27 -0.31 0.99 1.43 -1.23 -1.53 118.68 124.29 1sg4 s LEU 134 Ca 0.00 -2.66 0.10 0.00 -1.03 0.00 0.00 54.13 50.54 1sg4 s LEU 134 Cb 0.00 -2.10 0.77 0.00 0.03 0.00 0.00 46.19 44.89 1sg4 s LEU 134 CO 0.00 -0.54 1.81 -0.46 0.23 0.00 0.00 176.35 177.40 1sg4 n ASN 135 N 3.94 5.05 -0.29 2.29 6.94 -1.26 -4.10 115.26 127.83 1sg4 n ASN 135 Ca 0.10 -3.17 0.10 0.00 -0.02 0.00 0.00 54.58 51.59 1sg4 n ASN 135 Cb 0.44 -0.74 0.26 0.00 -2.36 0.00 0.00 39.78 37.38 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 2.94 0.39 0.00 -3.83 3.07 -1.86 -0.66 114.58 114.62 1sg4 h GLU 136 Ca 0.23 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1sg4 h GLU 136 Cb 2.31 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 30.13 1sg4 h GLU 136 CO 0.71 0.26 0.00 1.79 -1.40 0.00 0.00 179.01 180.37 1sg4 h THR 137 N 0.40 0.00 -0.02 1.13 1.35 -1.68 -1.30 112.91 112.79 1sg4 h THR 137 Ca 0.51 -0.24 0.01 0.00 -0.55 0.00 0.00 66.41 66.14 1sg4 h THR 137 Cb 0.91 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1sg4 h THR 137 CO -0.50 0.00 0.02 1.56 -0.25 0.00 0.00 175.52 176.35 1sg4 h GLN 138 N 0.00 0.00 -0.33 4.72 1.08 -1.39 -0.88 115.11 118.31 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 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1sg4 h GLN 138 CO 0.00 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.16 1sg4 n LEU 139 N -4.16 3.36 0.00 1.46 4.77 -0.55 -4.94 117.00 116.94 1sg4 n LEU 139 Ca -0.02 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 1sg4 n LEU 139 Cb 0.11 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1sg4 n LEU 139 CO 0.31 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1sg4 n GLY 140 N 1.44 0.44 3.69 -0.72 0.00 -0.33 -4.90 105.19 104.81 1sg4 n GLY 140 Ca 0.18 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 1sg4 n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sg4 s ILE 141 N -2.00 2.70 0.15 -0.61 -1.09 -0.84 -4.98 121.20 114.53 1sg4 s ILE 141 Ca 0.00 -1.80 0.08 0.00 -2.23 0.00 0.00 60.65 56.70 1sg4 s ILE 141 Cb 0.00 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 1sg4 s ILE 141 CO 0.00 -0.15 -0.18 0.27 -1.23 0.00 0.00 174.94 173.66 1sg4 s ILE 142 N -2.50 1.71 0.38 2.92 -4.36 -1.26 -2.22 121.20 115.87 1sg4 s ILE 142 Ca 0.37 -1.84 -0.26 0.00 -0.26 0.00 0.00 60.65 58.66 1sg4 s ILE 142 Cb -0.00 -1.75 -0.09 0.00 1.25 0.00 0.00 42.46 41.87 1sg4 s ILE 142 CO 0.21 -0.31 1.19 0.00 0.24 0.00 0.00 174.94 176.27 1sg4 s ALA 143 N -1.99 3.23 0.79 2.27 0.00 -1.26 -4.98 121.76 119.82 1sg4 s ALA 143 Ca 0.13 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1sg4 s ALA 143 Cb -0.06 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 19.73 1sg4 s ALA 143 CO 0.06 -0.54 1.11 -1.25 0.00 0.00 0.00 175.76 175.13 1sg4 s PRO 144 N -2.16 2.06 0.35 0.00 0.04 -1.26 -4.72 135.00 129.31 1sg4 s PRO 144 Ca 0.55 1.29 0.07 0.00 0.04 0.00 0.00 61.00 62.95 1sg4 s PRO 144 Cb -0.33 -1.87 0.75 0.00 0.04 0.00 0.00 34.50 33.09 1sg4 s PRO 144 CO 0.42 -1.81 1.91 0.27 0.04 0.00 0.00 177.00 177.83 1sg4 h PHE 145 N -1.12 0.83 0.00 0.56 -5.15 -1.99 -0.84 116.94 109.23 1sg4 h PHE 145 Ca -0.44 0.02 -0.10 0.00 -0.20 0.00 0.00 57.97 57.25 1sg4 h PHE 145 Cb 1.24 -0.27 -0.01 0.00 0.22 0.00 0.00 35.95 37.13 1sg4 h PHE 145 CO 0.56 0.38 -0.48 0.11 -2.00 0.00 0.00 178.31 176.87 1sg4 h TRP 146 N 0.77 0.00 0.06 6.09 5.08 -1.96 0.23 115.95 126.22 1sg4 h TRP 146 Ca 0.39 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 60.08 1sg4 h TRP 146 Cb 0.46 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.65 1sg4 h TRP 146 CO -0.00 0.48 -1.12 1.25 -1.28 0.00 0.00 178.44 177.77 1sg4 h LEU 147 N 0.00 0.88 -0.56 0.11 5.85 -1.56 -1.60 115.31 118.42 1sg4 h LEU 147 Ca -0.00 -0.78 0.05 0.00 0.84 0.00 0.00 57.88 57.98 1sg4 h LEU 147 Cb 1.00 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1sg4 h LEU 147 CO 0.06 1.56 0.29 0.50 -0.34 0.00 0.00 178.44 180.51 1sg4 h LYS 148 N 0.30 0.53 -0.68 1.25 3.11 -1.00 0.08 116.57 120.17 1sg4 h LYS 148 Ca -0.16 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.61 1sg4 h LYS 148 Cb 1.78 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.86 1sg4 h LYS 148 CO 0.22 0.35 0.26 -0.44 -2.81 0.00 0.00 179.45 177.02 1sg4 h ASP 149 N 0.55 0.93 -0.62 4.20 3.32 -0.46 0.53 116.42 124.87 1sg4 h ASP 149 Ca 0.25 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1sg4 h ASP 149 Cb 0.16 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1sg4 h ASP 149 CO -0.17 0.84 0.35 0.74 -1.72 0.00 0.00 179.24 179.28 1sg4 h THR 150 N 0.98 1.19 -0.31 0.35 2.02 -0.67 -0.39 112.91 116.08 1sg4 h THR 150 Ca 0.23 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1sg4 h THR 150 Cb 0.21 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1sg4 h THR 150 CO -0.02 0.20 0.07 0.25 0.37 0.00 0.00 175.52 176.40 1sg4 h LEU 151 N 0.84 0.48 -1.25 2.58 5.85 -0.41 -2.25 115.31 121.15 1sg4 h LEU 151 Ca 0.22 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1sg4 h LEU 151 Cb 0.01 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1sg4 h LEU 151 CO -0.04 0.59 0.52 -0.08 -0.34 0.00 0.00 178.44 179.09 1sg4 h GLU 152 N 0.34 0.95 0.00 1.25 4.81 -0.69 0.75 114.58 121.99 1sg4 h GLU 152 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1sg4 h GLU 152 Cb 0.30 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1sg4 h GLU 152 CO 0.00 0.63 0.00 -0.91 -0.73 0.00 0.00 179.01 178.00 1sg4 h ASN 153 N 0.98 0.00 0.01 1.04 2.35 -0.72 -0.04 115.58 119.19 1sg4 h ASN 153 Ca 0.31 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.66 1sg4 h ASN 153 Cb 0.03 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 1sg4 h ASN 153 CO -0.09 0.00 -2.42 0.41 -1.65 0.00 0.00 177.43 173.68 1sg4 n THR 154 N -2.33 1.53 -0.26 2.81 -1.04 0.07 -4.79 114.28 110.26 1sg4 n THR 154 Ca 0.01 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1sg4 n THR 154 Cb 0.20 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 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 -3.57 0.18 0.00 12.58 -5.35 -0.11 -4.76 119.36 118.33 1sg4 n ILE 155 Ca -0.47 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 1sg4 n ILE 155 Cb 0.96 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.96 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 -0.09 -0.94 0.08 3.28 0.00 -0.03 -4.36 105.19 103.11 1sg4 n GLY 156 Ca 0.00 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.08 -0.16 1.61 -0.00 -1.94 -1.86 115.15 112.72 1sg4 h HIS 157 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1sg4 h HIS 157 Cb 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1sg4 h HIS 157 CO 0.00 0.10 0.09 -0.09 -0.00 0.00 0.00 177.93 178.03 1sg4 h ARG 158 N -0.25 0.22 -0.57 5.26 1.12 -1.97 0.13 114.38 118.32 1sg4 h ARG 158 Ca -0.01 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.77 1sg4 h ARG 158 Cb 0.22 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.11 1sg4 h ARG 158 CO 0.01 0.23 0.08 0.00 -3.11 0.00 0.00 179.97 177.19 1sg4 h ALA 159 N 0.98 1.06 -0.44 2.80 0.00 -1.75 -2.28 119.26 119.63 1sg4 h ALA 159 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1sg4 h ALA 159 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sg4 h ALA 159 CO -0.01 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.81 1sg4 h ALA 160 N 1.21 1.11 -0.26 0.00 0.00 -0.96 0.15 119.26 120.51 1sg4 h ALA 160 Ca 0.18 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1sg4 h ALA 160 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1sg4 h ALA 160 CO 0.01 0.56 0.10 1.49 0.00 0.00 0.00 179.25 181.41 1sg4 h GLU 161 N 0.69 0.21 -0.13 0.00 4.81 -0.43 -0.56 114.58 119.17 1sg4 h GLU 161 Ca 0.13 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1sg4 h GLU 161 Cb 0.48 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1sg4 h GLU 161 CO 0.02 0.14 -0.04 -0.09 -0.73 0.00 0.00 179.01 178.32 1sg4 h ARG 162 N 0.22 0.25 -0.75 1.92 2.43 -1.29 -2.32 114.38 114.84 1sg4 h ARG 162 Ca 0.11 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1sg4 h ARG 162 Cb 0.07 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1sg4 h ARG 162 CO -0.11 0.56 0.39 0.00 -1.51 0.00 0.00 179.97 179.30 1sg4 h ALA 163 N 0.69 0.96 -0.06 2.80 0.00 -0.82 -1.10 119.26 121.72 1sg4 h ALA 163 Ca 0.03 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1sg4 h ALA 163 Cb 0.47 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1sg4 h ALA 163 CO 0.01 0.50 -0.43 -0.07 0.00 0.00 0.00 179.25 179.26 1sg4 h LEU 164 N 1.04 0.49 -0.37 0.00 3.38 -1.17 -0.49 115.31 118.18 1sg4 h LEU 164 Ca 0.26 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1sg4 h LEU 164 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1sg4 h LEU 164 CO -0.04 1.09 0.21 1.56 0.09 0.00 0.00 178.44 181.35 1sg4 h GLN 165 N -0.08 0.52 0.00 1.13 4.20 -1.26 -2.52 115.11 117.11 1sg4 h GLN 165 Ca -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1sg4 h GLN 165 Cb 1.10 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1sg4 h GLN 165 CO 0.09 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.95 1sg4 n LEU 166 N -4.76 0.00 -3.63 1.46 4.77 -0.43 -4.85 117.00 109.56 1sg4 n LEU 166 Ca -0.00 0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 56.14 1sg4 n LEU 166 Cb 0.08 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 1sg4 n LEU 166 CO 0.35 -0.01 0.11 0.61 -1.33 0.00 0.00 177.39 177.12 1sg4 n GLY 167 N 1.33 -0.42 3.75 -0.72 0.00 -0.27 -4.84 105.19 104.01 1sg4 n GLY 167 Ca 0.11 0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 -6.86 4.61 -0.26 0.99 1.43 -0.73 -4.32 118.68 113.54 1sg4 s LEU 168 Ca 0.28 2.01 -0.05 0.00 -1.03 0.00 0.00 54.13 55.34 1sg4 s LEU 168 Cb -0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1sg4 s LEU 168 CO 0.77 0.07 0.03 -0.76 0.23 0.00 0.00 176.35 176.68 1sg4 s LEU 169 N -1.11 3.44 -0.18 1.79 1.43 -1.26 -3.47 118.68 119.32 1sg4 s LEU 169 Ca 0.42 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.73 1sg4 s LEU 169 Cb -0.27 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1sg4 s LEU 169 CO 0.34 -0.11 0.72 -0.36 0.23 0.00 0.00 176.35 177.17 1sg4 s PHE 170 N 1.49 3.40 0.95 0.29 0.08 0.42 -4.71 117.98 119.90 1sg4 s PHE 170 Ca 0.04 1.09 -0.12 0.00 0.12 0.00 0.00 56.93 58.06 1sg4 s PHE 170 Cb -0.16 -2.90 0.16 0.00 -0.57 0.00 0.00 43.02 39.56 1sg4 s PHE 170 CO 0.00 -0.19 1.09 -2.14 -0.10 0.00 0.00 175.22 173.88 1sg4 s PRO 171 N 1.97 0.80 0.19 0.24 0.02 -1.26 -1.17 135.00 135.79 1sg4 s PRO 171 Ca 0.33 0.88 -0.13 0.00 0.02 0.00 0.00 61.00 62.10 1sg4 s PRO 171 Cb -0.16 -1.75 0.21 0.00 0.02 0.00 0.00 34.50 32.82 1sg4 s PRO 171 CO 0.12 -2.57 1.68 -1.35 -0.33 0.00 0.00 177.00 174.54 1sg4 h PRO 172 N -1.79 0.11 -0.74 5.54 0.11 -1.82 0.10 132.00 133.51 1sg4 h PRO 172 Ca -0.51 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1sg4 h PRO 172 Cb 1.29 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1sg4 h PRO 172 CO 0.53 0.07 0.22 0.00 -0.21 0.00 0.00 178.00 178.61 1sg4 h ALA 173 N 1.48 0.97 -0.21 -0.75 0.00 -1.97 -1.18 119.26 117.59 1sg4 h ALA 173 Ca 0.27 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1sg4 h ALA 173 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sg4 h ALA 173 CO -0.45 0.66 -0.40 0.93 0.00 0.00 0.00 179.25 179.99 1sg4 h GLU 174 N 1.10 0.48 -0.72 0.00 3.07 -1.74 -1.41 114.58 115.36 1sg4 h GLU 174 Ca 0.24 -0.24 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1sg4 h GLU 174 Cb 0.32 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1sg4 h GLU 174 CO -0.01 0.80 0.19 0.00 -1.40 0.00 0.00 179.01 178.60 1sg4 h ALA 175 N 1.17 0.94 -0.27 3.43 0.00 -0.24 -1.06 119.26 123.22 1sg4 h ALA 175 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1sg4 h ALA 175 Cb 0.88 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1sg4 h ALA 175 CO 0.07 0.65 -0.07 1.25 0.00 0.00 0.00 179.25 181.15 1sg4 h LEU 176 N 1.07 0.54 -0.59 0.00 5.85 -1.05 -1.55 115.31 119.59 1sg4 h LEU 176 Ca 0.23 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sg4 h LEU 176 Cb 0.35 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1sg4 h LEU 176 CO -0.00 0.79 0.37 -0.61 -0.34 0.00 0.00 178.44 178.64 1sg4 h GLN 177 N 0.28 0.79 0.00 1.25 5.75 -0.90 -2.55 115.11 119.74 1sg4 h GLN 177 Ca 0.07 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1sg4 h GLN 177 Cb 0.56 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1sg4 h GLN 177 CO 0.03 0.56 0.00 -0.24 -2.65 0.00 0.00 178.83 176.53 1sg4 h VAL 178 N 0.80 0.00 0.00 2.39 3.04 -1.18 -3.47 116.25 117.82 1sg4 h VAL 178 Ca 0.21 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1sg4 h VAL 178 Cb -0.04 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1sg4 h VAL 178 CO -0.04 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.13 1sg4 n GLY 179 N 0.58 0.84 0.23 3.17 0.00 -0.67 -4.76 105.19 104.58 1sg4 n GLY 179 Ca 0.03 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 0.26 -2.69 -0.61 2.10 -1.59 -3.44 117.51 111.54 1sg4 h ILE 180 Ca 0.00 -1.05 -0.49 0.00 1.08 0.00 0.00 64.86 64.40 1sg4 h ILE 180 Cb 0.00 1.85 -0.14 0.00 -1.09 0.00 0.00 36.82 37.44 1sg4 h ILE 180 CO 0.00 0.12 -0.72 0.68 -1.08 0.00 0.00 178.15 177.16 1sg4 s VAL 181 N -3.43 1.82 -0.11 2.19 -7.23 -1.20 -4.95 120.40 107.49 1sg4 s VAL 181 Ca 0.03 -2.21 0.20 0.00 -1.81 0.00 0.00 61.98 58.19 1sg4 s VAL 181 Cb 0.08 -2.23 -0.28 0.00 0.56 0.00 0.00 36.38 34.51 1sg4 s VAL 181 CO 0.63 -0.46 0.34 0.47 -0.31 0.00 0.00 175.10 175.77 1sg4 n ASP 182 N -0.49 0.08 -3.73 4.85 8.00 0.17 -4.56 116.55 120.88 1sg4 n ASP 182 Ca -0.07 0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.33 1sg4 n ASP 182 Cb 0.61 1.40 -0.08 0.00 -0.02 0.00 0.00 41.12 43.03 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 -3.03 0.70 -0.11 -1.24 -0.21 -1.04 -5.03 119.66 109.70 1sg4 s GLN 183 Ca -0.08 -0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.25 1sg4 s GLN 183 Cb 0.10 0.31 0.01 0.00 1.00 0.00 0.00 33.01 34.44 1sg4 s GLN 183 CO 0.87 -0.19 -0.18 0.08 -2.12 0.00 0.00 175.29 173.74 1sg4 s VAL 184 N -1.18 1.70 0.10 1.09 1.01 -1.26 -0.90 120.40 120.96 1sg4 s VAL 184 Ca -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1sg4 s VAL 184 Cb -0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1sg4 s VAL 184 CO 0.05 0.48 -0.07 0.68 0.00 0.00 0.00 175.10 176.24 1sg4 s VAL 185 N 0.78 0.75 0.40 2.92 -7.23 -0.77 -4.96 120.40 112.29 1sg4 s VAL 185 Ca -0.10 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 57.87 1sg4 s VAL 185 Cb -0.16 -1.70 -0.11 0.00 0.56 0.00 0.00 36.38 34.97 1sg4 s VAL 185 CO 0.01 -0.86 1.11 -2.65 -0.31 0.00 0.00 175.10 172.40 1sg4 n PRO 186 N -0.06 1.58 0.09 4.82 -0.02 -1.26 -0.67 135.00 139.48 1sg4 n PRO 186 Ca -0.12 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 1sg4 n PRO 186 Cb 0.61 -2.14 0.51 0.00 -0.02 0.00 0.00 33.50 32.46 1sg4 n PRO 186 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1sg4 h GLU 187 N 1.83 0.32 0.00 -0.52 4.11 -1.89 0.11 114.58 118.54 1sg4 h GLU 187 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1sg4 h GLU 187 Cb 1.32 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1sg4 h GLU 187 CO 0.59 0.21 0.00 -0.85 0.07 0.00 0.00 179.01 179.03 1sg4 n GLU 188 N -4.50 0.76 -0.03 1.06 0.00 -1.26 -2.67 120.64 114.01 1sg4 n GLU 188 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.22 1sg4 n GLU 188 Cb 0.10 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.10 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 -1.02 0.74 -0.27 3.44 6.02 0.38 -4.75 117.38 121.91 1sg4 n GLN 189 Ca 0.18 -1.20 -0.07 0.00 -0.01 0.00 0.00 57.00 55.91 1sg4 n GLN 189 Cb 0.09 -1.17 0.05 0.00 1.02 0.00 0.00 30.24 30.24 1sg4 n GLN 189 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1sg4 h VAL 190 N 1.66 1.26 -0.14 5.09 3.04 -1.40 -0.87 116.25 124.89 1sg4 h VAL 190 Ca 0.00 -0.88 -0.11 0.00 -1.01 0.00 0.00 66.70 64.70 1sg4 h VAL 190 Cb 0.42 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1sg4 h VAL 190 CO 0.00 0.35 -0.33 1.56 -1.01 0.00 0.00 177.57 178.13 1sg4 h GLN 191 N 1.10 0.48 -0.35 4.17 1.08 -1.85 -1.86 115.11 117.87 1sg4 h GLN 191 Ca 0.24 -0.32 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 1sg4 h GLN 191 Cb 0.28 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1sg4 h GLN 191 CO -0.01 0.94 -0.20 0.66 -0.95 0.00 0.00 178.83 179.26 1sg4 h SER 192 N 0.09 0.66 -0.74 1.46 4.64 -1.86 -2.34 113.55 115.46 1sg4 h SER 192 Ca -0.00 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1sg4 h SER 192 Cb 0.94 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1sg4 h SER 192 CO 0.07 0.86 0.30 0.74 -0.87 0.00 0.00 176.83 177.93 1sg4 h THR 193 N 0.59 1.25 -0.75 2.95 2.02 -1.07 -1.79 112.91 116.10 1sg4 h THR 193 Ca 0.09 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 1sg4 h THR 193 Cb 0.66 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1sg4 h THR 193 CO 0.05 0.32 0.31 0.00 0.37 0.00 0.00 175.52 176.56 1sg4 h ALA 194 N 1.15 1.12 -0.35 6.16 0.00 -0.97 0.11 119.26 126.47 1sg4 h ALA 194 Ca 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sg4 h ALA 194 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sg4 h ALA 194 CO -0.02 0.63 0.11 1.25 0.00 0.00 0.00 179.25 181.22 1sg4 h LEU 195 N 1.09 0.52 -0.61 0.00 5.85 -0.94 -0.07 115.31 121.15 1sg4 h LEU 195 Ca 0.25 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1sg4 h LEU 195 Cb 0.20 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1sg4 h LEU 195 CO -0.02 0.59 0.39 0.28 -0.34 0.00 0.00 178.44 179.34 1sg4 h SER 196 N 0.42 0.64 -0.26 1.25 0.02 -1.04 -2.79 113.55 111.79 1sg4 h SER 196 Ca 0.11 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1sg4 h SER 196 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1sg4 h SER 196 CO -0.00 0.46 -0.19 0.00 -1.14 0.00 0.00 176.83 175.95 1sg4 h ALA 197 N 1.25 0.38 0.00 3.77 0.00 -0.52 -3.07 119.26 121.07 1sg4 h ALA 197 Ca 0.24 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1sg4 h ALA 197 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sg4 h ALA 197 CO -0.08 0.31 -0.26 0.97 0.00 0.00 0.00 179.25 180.19 1sg4 h ILE 198 N 0.32 1.07 -0.85 0.00 2.10 -0.97 -2.25 117.51 116.93 1sg4 h ILE 198 Ca 0.05 -0.92 0.14 0.00 1.08 0.00 0.00 64.86 65.21 1sg4 h ILE 198 Cb 0.73 1.51 -0.06 0.00 -1.09 0.00 0.00 36.82 37.91 1sg4 h ILE 198 CO 0.05 0.25 0.55 0.00 -1.08 0.00 0.00 178.15 177.93 1sg4 h ALA 199 N 1.74 1.92 -0.65 0.18 0.00 -1.39 -0.35 119.26 120.72 1sg4 h ALA 199 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sg4 h ALA 199 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1sg4 h ALA 199 CO 0.03 -0.15 0.42 1.96 0.00 0.00 0.00 179.25 181.52 1sg4 h GLN 200 N 0.60 0.86 -0.24 0.00 1.08 -1.50 -2.75 115.11 113.17 1sg4 h GLN 200 Ca 0.42 -0.06 -0.18 0.00 -1.45 0.00 0.00 58.65 57.38 1sg4 h GLN 200 Cb 0.76 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1sg4 h GLN 200 CO -0.18 0.58 -0.57 -1.49 -0.95 0.00 0.00 178.83 176.22 1sg4 h TRP 201 N 0.88 0.96 0.00 2.96 4.06 -1.34 -3.09 115.95 120.38 1sg4 h TRP 201 Ca 0.24 -0.35 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1sg4 h TRP 201 Cb -0.09 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 27.89 1sg4 h TRP 201 CO -0.03 1.15 -0.08 0.52 -3.56 0.00 0.00 178.44 176.44 1sg4 h MET 202 N 0.58 0.00 -0.00 0.49 2.86 -0.98 -2.61 114.93 115.27 1sg4 h MET 202 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sg4 h MET 202 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1sg4 h MET 202 CO 0.12 0.08 -0.09 0.00 1.06 0.00 0.00 176.91 178.08 1sg4 n ALA 203 N -2.27 2.66 -2.33 6.32 0.00 -1.05 -4.82 120.51 119.03 1sg4 n ALA 203 Ca -0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 1sg4 n ALA 203 Cb 0.20 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 1sg4 n ALA 203 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sg4 s ILE 204 N -2.65 4.42 -0.40 0.00 -1.09 -0.99 -4.96 121.20 115.53 1sg4 s ILE 204 Ca 0.24 1.94 -0.44 0.00 -2.23 0.00 0.00 60.65 60.16 1sg4 s ILE 204 Cb 0.20 -4.24 -0.19 0.00 -1.58 0.00 0.00 42.46 36.65 1sg4 s ILE 204 CO 0.50 0.26 1.62 -2.65 -1.23 0.00 0.00 174.94 173.44 1sg4 n PRO 205 N 3.03 0.38 -0.06 2.79 -0.02 -1.26 -4.83 135.00 135.02 1sg4 n PRO 205 Ca 0.04 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1sg4 n PRO 205 Cb 0.49 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.21 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 5.61 0.34 -0.66 2.55 3.58 -1.92 -1.36 116.42 124.55 1sg4 h ASP 206 Ca -0.45 -0.33 -0.04 0.00 0.42 0.00 0.00 57.03 56.63 1sg4 h ASP 206 Cb 1.36 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 1sg4 h ASP 206 CO 0.96 0.59 0.25 -0.74 -2.88 0.00 0.00 179.24 177.42 1sg4 h HIS 207 N 0.08 1.02 -0.62 0.28 2.76 -2.00 -1.29 115.15 115.39 1sg4 h HIS 207 Ca 0.05 -0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1sg4 h HIS 207 Cb 0.43 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1sg4 h HIS 207 CO 0.04 0.81 0.26 0.00 -1.30 0.00 0.00 177.93 177.74 1sg4 h ALA 208 N 1.11 0.81 -0.20 5.26 0.00 -1.90 0.06 119.26 124.40 1sg4 h ALA 208 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sg4 h ALA 208 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1sg4 h ALA 208 CO -0.02 0.41 0.08 -0.09 0.00 0.00 0.00 179.25 179.63 1sg4 h ARG 209 N 0.87 0.17 -0.78 0.00 2.43 -0.97 -1.07 114.38 115.02 1sg4 h ARG 209 Ca 0.21 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1sg4 h ARG 209 Cb 0.19 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1sg4 h ARG 209 CO -0.02 0.11 0.31 1.96 -1.51 0.00 0.00 179.97 180.82 1sg4 h GLN 210 N 0.17 1.18 -0.52 0.20 4.20 -0.85 -0.14 115.11 119.36 1sg4 h GLN 210 Ca 0.08 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1sg4 h GLN 210 Cb 0.05 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1sg4 h GLN 210 CO -0.08 0.96 0.07 -0.07 -0.67 0.00 0.00 178.83 179.03 1sg4 h LEU 211 N 1.14 0.79 -0.39 1.46 3.38 -0.80 -1.55 115.31 119.34 1sg4 h LEU 211 Ca 0.26 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1sg4 h LEU 211 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1sg4 h LEU 211 CO -0.02 0.82 -0.11 0.74 0.09 0.00 0.00 178.44 179.95 1sg4 h THR 212 N 0.79 1.28 -0.50 0.22 2.02 -0.66 -1.28 112.91 114.78 1sg4 h THR 212 Ca 0.16 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1sg4 h THR 212 Cb 0.38 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1sg4 h THR 212 CO 0.01 0.40 0.28 0.50 0.37 0.00 0.00 175.52 177.08 1sg4 h LYS 213 N 0.57 0.69 -0.82 6.66 3.64 -0.80 -1.51 116.57 125.00 1sg4 h LYS 213 Ca 0.10 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1sg4 h LYS 213 Cb 0.64 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1sg4 h LYS 213 CO 0.04 0.53 0.42 0.00 -2.27 0.00 0.00 179.45 178.17 1sg4 h ALA 214 N 1.12 1.05 -0.45 5.00 0.00 -1.17 -1.48 119.26 123.32 1sg4 h ALA 214 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sg4 h ALA 214 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1sg4 h ALA 214 CO -0.03 0.59 0.21 1.98 0.00 0.00 0.00 179.25 182.01 1sg4 h MET 215 N 1.15 0.63 0.00 0.00 1.85 -0.69 0.48 114.93 118.35 1sg4 h MET 215 Ca 0.28 -0.07 -0.14 0.00 -0.61 0.00 0.00 59.70 59.16 1sg4 h MET 215 Cb 0.08 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 1sg4 h MET 215 CO -0.04 0.49 -0.68 0.52 -0.40 0.00 0.00 176.91 176.80 1sg4 h MET 216 N 0.63 0.00 0.00 0.39 2.86 -0.50 -3.39 114.93 114.92 1sg4 h MET 216 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1sg4 h MET 216 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1sg4 h MET 216 CO -0.02 0.68 -0.75 0.54 1.06 0.00 0.00 176.91 178.41 1sg4 n ARG 217 N -3.45 2.50 -0.35 1.72 1.74 -0.63 -4.76 116.66 113.43 1sg4 n ARG 217 Ca 0.00 -0.02 -0.03 0.00 -0.77 0.00 0.00 57.85 57.04 1sg4 n ARG 217 Cb 0.74 -0.92 0.11 0.00 -1.02 0.00 0.00 32.46 31.38 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 1.27 -0.48 5.56 5.09 -1.11 -1.53 116.57 125.37 1sg4 h LYS 218 Ca 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 60.65 60.59 1sg4 h LYS 218 Cb 0.14 -0.27 -0.02 0.00 0.10 0.00 0.00 32.23 32.18 1sg4 h LYS 218 CO 0.00 0.88 0.11 0.00 -2.09 0.00 0.00 179.45 178.35 1sg4 h ALA 219 N 1.34 0.63 -0.35 0.07 0.00 -1.85 0.16 119.26 119.26 1sg4 h ALA 219 Ca 0.34 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1sg4 h ALA 219 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sg4 h ALA 219 CO -0.07 0.33 0.07 1.15 0.00 0.00 0.00 179.25 180.73 1sg4 h THR 220 N 0.65 1.23 -0.73 0.00 2.02 -1.77 -2.47 112.91 111.85 1sg4 h THR 220 Ca 0.15 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1sg4 h THR 220 Cb 0.33 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1sg4 h THR 220 CO 0.00 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.54 1sg4 h ALA 221 N 0.91 0.94 0.00 6.16 0.00 -0.92 -2.79 119.26 123.56 1sg4 h ALA 221 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1sg4 h ALA 221 Cb 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sg4 h ALA 221 CO 0.00 0.48 -0.18 0.77 0.00 0.00 0.00 179.25 180.32 1sg4 h SER 222 N 1.02 0.00 -0.48 0.00 0.02 -0.52 -0.92 113.55 112.67 1sg4 h SER 222 Ca 0.25 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1sg4 h SER 222 Cb 0.08 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1sg4 h SER 222 CO -0.04 0.18 0.32 0.03 -1.14 0.00 0.00 176.83 176.19 1sg4 h ARG 223 N 0.00 0.47 0.17 3.45 3.08 -1.16 -1.73 114.38 118.66 1sg4 h ARG 223 Ca -0.00 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 59.72 1sg4 h ARG 223 Cb 0.33 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.29 1sg4 h ARG 223 CO 0.02 0.31 -1.48 1.25 -1.07 0.00 0.00 179.97 179.00 1sg4 h LEU 224 N 0.48 0.57 -0.74 3.04 5.85 -1.31 -3.33 115.31 119.87 1sg4 h LEU 224 Ca 0.20 -0.91 0.12 0.00 0.84 0.00 0.00 57.88 58.12 1sg4 h LEU 224 Cb 0.19 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1sg4 h LEU 224 CO -0.05 1.67 0.34 0.58 -0.34 0.00 0.00 178.44 180.64 1sg4 h VAL 225 N -0.08 0.77 0.00 1.05 2.07 -0.95 -0.36 116.25 118.75 1sg4 h VAL 225 Ca -0.29 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1sg4 h VAL 225 Cb 1.95 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1sg4 h VAL 225 CO 0.15 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 1sg4 h THR 226 N 0.54 0.10 -0.43 2.57 1.03 -1.47 -3.23 112.91 112.02 1sg4 h THR 226 Ca 0.38 -0.53 -0.26 0.00 -0.01 0.00 0.00 66.41 65.99 1sg4 h THR 226 Cb 0.49 1.48 -0.40 0.00 -1.07 0.00 0.00 68.15 68.64 1sg4 h THR 226 CO -0.33 0.03 -1.08 0.00 -0.01 0.00 0.00 175.52 174.13 1sg4 n GLN 227 N -3.16 1.79 -0.27 0.00 10.64 -0.33 -4.92 117.38 121.15 1sg4 n GLN 227 Ca -0.00 -3.47 -0.05 0.00 -1.83 0.00 0.00 57.00 51.64 1sg4 n GLN 227 Cb 0.29 -1.57 0.06 0.00 -0.86 0.00 0.00 30.24 28.16 1sg4 n GLN 227 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1sg4 h ARG 228 N 2.46 1.01 -0.32 2.61 2.43 -1.16 -0.93 114.38 120.48 1sg4 h ARG 228 Ca -0.10 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 58.86 1sg4 h ARG 228 Cb 1.33 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1sg4 h ARG 228 CO 0.23 0.74 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.76 1sg4 h ASP 229 N 1.01 0.63 -0.71 -3.80 3.32 -1.89 -1.60 116.42 113.38 1sg4 h ASP 229 Ca 0.26 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1sg4 h ASP 229 Cb 0.01 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1sg4 h ASP 229 CO -0.04 0.85 0.46 0.00 -1.72 0.00 0.00 179.24 178.78 1sg4 h ALA 230 N 1.20 0.92 -0.36 3.45 0.00 -1.79 -0.60 119.26 122.07 1sg4 h ALA 230 Ca 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1sg4 h ALA 230 Cb 0.69 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1sg4 h ALA 230 CO 0.05 0.27 -0.20 0.22 0.00 0.00 0.00 179.25 179.59 1sg4 h ASP 231 N 0.91 0.70 -0.43 0.00 3.58 -0.74 0.71 116.42 121.15 1sg4 h ASP 231 Ca 0.28 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1sg4 h ASP 231 Cb -0.04 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1sg4 h ASP 231 CO -0.09 0.89 0.18 0.58 -2.88 0.00 0.00 179.24 177.93 1sg4 h VAL 232 N 0.61 1.19 -0.33 2.25 2.07 -0.92 -1.24 116.25 119.89 1sg4 h VAL 232 Ca 0.09 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 1sg4 h VAL 232 Cb 0.67 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1sg4 h VAL 232 CO 0.05 0.22 -0.21 0.06 0.02 0.00 0.00 177.57 177.71 1sg4 h GLN 233 N 0.54 0.64 -0.84 1.57 3.07 -0.50 -0.48 115.11 119.11 1sg4 h GLN 233 Ca 0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 58.65 58.61 1sg4 h GLN 233 Cb 0.17 -0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.65 1sg4 h GLN 233 CO -0.01 0.80 0.39 -0.91 0.09 0.00 0.00 178.83 179.19 1sg4 h ASN 234 N 0.56 1.12 -0.07 0.06 2.35 -0.70 0.54 115.58 119.44 1sg4 h ASN 234 Ca 0.08 -0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1sg4 h ASN 234 Cb 0.67 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1sg4 h ASN 234 CO 0.05 0.95 0.02 0.15 -1.65 0.00 0.00 177.43 176.96 1sg4 h PHE 235 N 1.21 0.04 -0.54 1.19 3.57 -0.81 -0.15 116.94 121.44 1sg4 h PHE 235 Ca 0.29 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.72 1sg4 h PHE 235 Cb 0.14 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1sg4 h PHE 235 CO 0.02 0.02 0.04 0.28 -2.23 0.00 0.00 178.31 176.44 1sg4 h VAL 236 N 0.06 1.26 -0.45 1.41 2.07 -0.65 0.09 116.25 120.04 1sg4 h VAL 236 Ca 0.03 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1sg4 h VAL 236 Cb 0.02 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1sg4 h VAL 236 CO -0.03 0.37 0.01 0.28 0.02 0.00 0.00 177.57 178.22 1sg4 h SER 237 N 0.82 0.77 0.06 0.57 0.02 -0.76 -2.42 113.55 112.60 1sg4 h SER 237 Ca 0.16 -0.30 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1sg4 h SER 237 Cb 0.48 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1sg4 h SER 237 CO 0.02 0.88 -0.03 0.15 -1.14 0.00 0.00 176.83 176.72 1sg4 h PHE 238 N 0.63 -0.07 0.00 3.45 3.04 -0.71 -3.22 116.94 120.07 1sg4 h PHE 238 Ca 0.13 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 1sg4 h PHE 238 Cb 0.49 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1sg4 h PHE 238 CO 0.04 0.18 -0.08 0.97 -2.02 0.00 0.00 178.31 177.40 1sg4 h ILE 239 N -0.32 0.20 0.00 1.41 6.09 -0.98 -2.37 117.51 121.54 1sg4 h ILE 239 Ca -0.01 -0.74 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 1sg4 h ILE 239 Cb 0.28 1.62 0.00 0.00 0.47 0.00 0.00 36.82 39.19 1sg4 h ILE 239 CO 0.01 0.08 0.00 -1.20 -3.07 0.00 0.00 178.15 173.97 1sg4 n SER 240 N -3.21 0.00 -4.76 2.19 7.64 -0.91 -4.03 113.62 110.54 1sg4 n SER 240 Ca 0.01 0.06 -0.37 0.00 1.01 0.00 0.00 58.87 59.57 1sg4 n SER 240 Cb 0.36 -0.35 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.70 3.40 0.40 1.43 3.01 -0.89 -4.79 119.74 119.60 1sg4 s LYS 241 Ca 0.23 1.97 0.09 0.00 -1.01 0.00 0.00 55.97 57.25 1sg4 s LYS 241 Cb 0.19 -2.28 0.85 0.00 -1.01 0.00 0.00 37.83 35.58 1sg4 s LYS 241 CO 0.47 -0.90 1.98 -0.44 0.51 0.00 0.00 175.35 176.97 1sg4 h ASP 242 N 1.65 0.31 -0.16 2.83 3.32 -1.91 -0.78 116.42 121.67 1sg4 h ASP 242 Ca -0.50 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 1sg4 h ASP 242 Cb 1.28 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1sg4 h ASP 242 CO 0.58 0.34 -0.18 0.77 -1.72 0.00 0.00 179.24 179.03 1sg4 h SER 243 N 0.34 0.58 -0.02 6.45 4.64 -1.96 0.11 113.55 123.68 1sg4 h SER 243 Ca 0.08 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1sg4 h SER 243 Cb 0.18 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1sg4 h SER 243 CO 0.00 0.77 -0.06 0.40 -0.87 0.00 0.00 176.83 177.08 1sg4 h ILE 244 N 0.52 1.46 -1.00 0.95 1.08 -1.73 -1.79 117.51 117.00 1sg4 h ILE 244 Ca 0.08 -1.45 0.10 0.00 -0.39 0.00 0.00 64.86 63.20 1sg4 h ILE 244 Cb 0.61 2.38 -0.08 0.00 -3.07 0.00 0.00 36.82 36.66 1sg4 h ILE 244 CO 0.04 0.39 0.64 1.56 -0.69 0.00 0.00 178.15 180.09 1sg4 h GLN 245 N -0.49 1.04 -0.46 2.37 1.08 -0.96 -1.33 115.11 116.36 1sg4 h GLN 245 Ca -0.00 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1sg4 h GLN 245 Cb 0.66 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1sg4 h GLN 245 CO 0.01 0.69 0.09 0.87 -0.95 0.00 0.00 178.83 179.54 1sg4 h LYS 246 N 1.07 0.75 -0.98 1.46 1.57 -0.74 -0.79 116.57 118.92 1sg4 h LYS 246 Ca 0.47 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1sg4 h LYS 246 Cb 0.36 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1sg4 h LYS 246 CO -0.23 0.76 0.64 0.77 -0.57 0.00 0.00 179.45 180.82 1sg4 h SER 247 N 0.62 1.13 -0.37 0.86 0.02 -0.82 0.36 113.55 115.35 1sg4 h SER 247 Ca 0.14 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1sg4 h SER 247 Cb 0.36 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1sg4 h SER 247 CO 0.01 0.83 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.22 1sg4 h LEU 248 N 1.33 0.84 -0.92 5.07 3.38 -0.94 -0.76 115.31 123.31 1sg4 h LEU 248 Ca 0.36 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1sg4 h LEU 248 Cb -0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 1sg4 h LEU 248 CO -0.08 1.09 -0.27 -0.61 0.09 0.00 0.00 178.44 178.66 1sg4 h GLN 249 N 0.60 0.48 0.05 1.13 5.75 -0.87 0.72 115.11 122.98 1sg4 h GLN 249 Ca 0.08 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1sg4 h GLN 249 Cb 0.79 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1sg4 h GLN 249 CO 0.06 0.71 -0.03 0.52 -2.65 0.00 0.00 178.83 177.45 1sg4 h MET 250 N 0.43 -0.07 -0.39 1.69 2.86 -0.82 -2.66 114.93 115.97 1sg4 h MET 250 Ca 0.06 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1sg4 h MET 250 Cb 0.69 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1sg4 h MET 250 CO 0.05 0.01 0.15 -0.92 1.06 0.00 0.00 176.91 177.26 1sg4 h TYR 251 N -0.13 0.26 0.00 -0.22 3.20 -0.62 -3.51 116.97 115.94 1sg4 h TYR 251 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1sg4 h TYR 251 Cb 0.11 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1sg4 h TYR 251 CO -0.05 0.11 0.00 1.28 -1.64 0.00 0.00 178.16 177.85