#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1um7 s SER 2 N 0.00 -0.51 -0.13 1.61 0.15 -1.26 -5.16 113.70 108.41 1um7 s SER 2 Ca 0.00 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.60 1um7 s SER 2 Cb 0.00 1.01 -0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1um7 s SER 2 CO 0.00 -0.16 -0.18 -0.55 1.20 0.00 0.00 173.24 173.55 1um7 s SER 3 N 0.50 3.53 0.00 5.45 0.15 -1.26 -5.07 113.70 117.00 1um7 s SER 3 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1um7 s SER 3 Cb -0.05 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1um7 s SER 3 CO -0.08 0.12 0.06 0.61 1.20 0.00 0.00 173.24 175.15 1um7 n GLY 4 N 3.81 0.46 3.64 9.45 0.00 -1.26 -5.03 105.19 116.25 1um7 n GLY 4 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1um7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1um7 s SER 5 N -1.30 -0.72 -0.31 1.61 0.15 -1.26 -5.14 113.70 106.73 1um7 s SER 5 Ca 0.00 1.24 -0.12 0.00 0.70 0.00 0.00 55.95 57.77 1um7 s SER 5 Cb 0.00 1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 65.56 1um7 s SER 5 CO 0.00 -0.20 0.21 -0.55 1.20 0.00 0.00 173.24 173.90 1um7 s SER 6 N 0.98 6.01 -0.30 5.45 0.15 -1.26 -4.97 113.70 119.76 1um7 s SER 6 Ca -0.05 -0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.20 1um7 s SER 6 Cb -0.05 -2.12 0.19 0.00 -1.71 0.00 0.00 66.02 62.33 1um7 s SER 6 CO -0.11 -0.16 1.16 -0.83 1.20 0.00 0.00 173.24 174.51 1um7 s GLY 7 N 1.73 -1.36 0.34 9.45 0.00 -1.26 -5.13 107.32 111.09 1um7 s GLY 7 Ca 0.06 1.83 0.00 0.00 0.00 0.00 0.00 44.72 46.62 1um7 s GLY 7 CO 0.10 4.39 0.00 0.54 0.00 0.00 0.00 173.10 178.14 1um7 n ARG 8 N 4.00 -4.69 -1.56 2.90 3.00 -1.26 -4.58 116.66 114.47 1um7 n ARG 8 Ca 0.06 3.38 -0.42 0.00 -0.01 0.00 0.00 57.85 60.87 1um7 n ARG 8 Cb 0.63 -3.72 -0.03 0.00 0.00 0.00 0.00 32.46 29.34 1um7 n ARG 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1um7 n PRO 9 N 0.43 2.17 0.00 5.56 -0.04 -1.26 -4.89 135.00 136.98 1um7 n PRO 9 Ca 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1um7 n PRO 9 Cb 0.00 -3.17 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 1um7 n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1um7 n GLY 10 N 4.53 1.60 0.00 0.55 0.00 -1.26 -5.01 105.19 105.60 1um7 n GLY 10 Ca 0.50 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1um7 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 11 N 0.00 -0.45 3.42 -0.02 0.00 -1.26 -5.08 105.19 101.80 1um7 n GLY 11 Ca 0.00 0.36 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 1um7 n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um7 n ASP 12 N 0.00 -5.21 -3.65 1.61 8.00 -1.26 -4.87 116.55 111.17 1um7 n ASP 12 Ca 0.00 -0.19 -0.33 0.00 0.71 0.00 0.00 54.79 54.98 1um7 n ASP 12 Cb 0.00 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 39.53 1um7 n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1um7 n ALA 13 N -0.24 4.48 0.03 2.24 0.00 -1.26 -4.73 120.51 121.03 1um7 n ALA 13 Ca -0.09 -4.78 -0.01 0.00 0.00 0.00 0.00 53.44 48.55 1um7 n ALA 13 Cb 0.66 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 1um7 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1um7 n ARG 14 N 1.05 0.06 -0.71 0.00 5.12 -1.26 -4.76 116.66 116.17 1um7 n ARG 14 Ca 0.28 0.02 -0.24 0.00 -1.93 0.00 0.00 57.85 55.99 1um7 n ARG 14 Cb 0.38 -0.61 0.10 0.00 -1.16 0.00 0.00 32.46 31.17 1um7 n ARG 14 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1um7 n GLU 15 N -3.61 -1.24 -2.48 5.56 0.28 -1.26 -3.63 120.64 114.26 1um7 n GLU 15 Ca -0.02 -0.36 -0.41 0.00 -0.16 0.00 0.00 57.16 56.21 1um7 n GLU 15 Cb 0.07 -1.35 -0.03 0.00 1.43 0.00 0.00 31.44 31.56 1um7 n GLU 15 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1um7 s PRO 16 N -2.90 4.52 -0.04 3.44 0.04 -1.26 -4.20 135.00 134.60 1um7 s PRO 16 Ca 0.36 1.73 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1um7 s PRO 16 Cb -0.02 -3.31 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1um7 s PRO 16 CO 0.44 -0.07 -0.06 -0.98 0.04 0.00 0.00 177.00 176.37 1um7 s ARG 17 N 0.24 2.71 -0.45 4.56 1.70 0.12 -4.84 118.95 123.00 1um7 s ARG 17 Ca 0.53 -0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 54.92 1um7 s ARG 17 Cb -0.29 -2.59 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 1um7 s ARG 17 CO 0.33 0.65 1.51 0.21 -1.08 0.00 0.00 175.30 176.91 1um7 s LYS 18 N -1.04 3.41 -0.74 3.89 2.20 -1.26 -2.01 119.74 124.18 1um7 s LYS 18 Ca 0.14 0.89 -0.10 0.00 -0.36 0.00 0.00 55.97 56.54 1um7 s LYS 18 Cb -0.11 -4.10 0.19 0.00 -1.51 0.00 0.00 37.83 32.30 1um7 s LYS 18 CO 0.04 -1.78 0.63 0.42 -0.36 0.00 0.00 175.35 174.30 1um7 s ILE 19 N 6.07 4.91 -0.77 5.43 1.01 0.19 -4.95 121.20 133.09 1um7 s ILE 19 Ca 0.63 -2.59 -0.26 0.00 0.00 0.00 0.00 60.65 58.43 1um7 s ILE 19 Cb -0.14 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1um7 s ILE 19 CO 0.30 -0.96 1.26 -0.63 0.00 0.00 0.00 174.94 174.91 1um7 s ILE 20 N 0.17 3.85 -0.05 2.92 1.01 -1.26 -1.12 121.20 126.72 1um7 s ILE 20 Ca 0.17 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.85 1um7 s ILE 20 Cb -0.15 -4.91 -0.04 0.00 0.01 0.00 0.00 42.46 37.37 1um7 s ILE 20 CO -0.06 -1.81 0.20 -0.76 0.00 0.00 0.00 174.94 172.51 1um7 s LEU 21 N 5.34 4.38 -0.44 2.97 1.43 -0.33 -4.94 118.68 127.10 1um7 s LEU 21 Ca 0.35 0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 53.87 1um7 s LEU 21 Cb -0.08 -2.42 0.11 0.00 0.03 0.00 0.00 46.19 43.83 1um7 s LEU 21 CO 0.10 0.32 0.28 -1.00 0.23 0.00 0.00 176.35 176.28 1um7 s HIS 22 N -1.19 3.48 -0.45 0.29 3.76 -1.26 -1.73 115.29 118.19 1um7 s HIS 22 Ca 0.22 -2.05 -0.41 0.00 -0.15 0.00 0.00 55.06 52.67 1um7 s HIS 22 Cb -0.13 -3.33 -0.18 0.00 1.11 0.00 0.00 32.58 30.05 1um7 s HIS 22 CO 0.12 -0.97 1.71 1.63 -0.85 0.00 0.00 174.74 176.38 1um7 n LYS 23 N 4.79 0.00 0.00 1.40 5.02 -0.04 -4.63 118.16 124.70 1um7 n LYS 23 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1um7 n LYS 23 Cb 0.41 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1um7 n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1um7 n GLY 24 N 5.30 -2.43 0.52 0.72 0.00 -0.95 -4.73 105.19 103.63 1um7 n GLY 24 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 1um7 n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1um7 n SER 25 N -1.70 1.39 -0.79 1.61 7.64 -1.26 -4.93 113.62 115.60 1um7 n SER 25 Ca 0.00 0.22 -0.03 0.00 1.01 0.00 0.00 58.87 60.07 1um7 n SER 25 Cb 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.65 1um7 n SER 25 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1um7 n THR 26 N -3.91 0.00 -3.75 0.44 5.66 -1.26 -5.13 114.28 106.33 1um7 n THR 26 Ca -0.16 -0.05 -0.10 0.00 -3.05 0.00 0.00 64.05 60.70 1um7 n THR 26 Cb 0.44 0.31 -0.05 0.00 -1.55 0.00 0.00 70.33 69.47 1um7 n THR 26 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1um7 s GLY 27 N -0.62 -0.05 0.00 1.09 0.00 -1.26 -5.03 107.32 101.46 1um7 s GLY 27 Ca 0.02 -0.34 0.24 0.00 0.00 0.00 0.00 44.72 44.63 1um7 s GLY 27 CO -0.01 -0.51 1.27 1.04 0.00 0.00 0.00 173.10 174.89 1um7 n LEU 28 N -0.20 0.75 -0.79 0.66 4.77 -1.26 -2.23 117.00 118.71 1um7 n LEU 28 Ca -0.14 -0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 55.64 1um7 n LEU 28 Cb 0.63 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1um7 n LEU 28 CO 0.20 0.18 0.01 0.61 -1.33 0.00 0.00 177.39 177.05 1um7 n GLY 29 N 1.48 0.75 3.64 -0.72 0.00 -1.26 -0.79 105.19 108.28 1um7 n GLY 29 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1um7 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1um7 s PHE 30 N -3.02 -0.09 0.53 1.61 -0.12 -1.26 -1.32 117.98 114.32 1um7 s PHE 30 Ca 0.02 0.18 0.08 0.00 -0.05 0.00 0.00 56.93 57.15 1um7 s PHE 30 Cb -0.01 0.48 0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1um7 s PHE 30 CO 0.04 -0.06 0.58 1.21 -0.05 0.00 0.00 175.22 176.93 1um7 s ASN 31 N -0.61 4.94 0.05 1.98 3.84 0.12 -4.95 114.94 120.32 1um7 s ASN 31 Ca 0.07 -0.97 -0.03 0.00 0.21 0.00 0.00 52.86 52.15 1um7 s ASN 31 Cb -0.02 0.18 -0.03 0.00 -0.55 0.00 0.00 41.25 40.83 1um7 s ASN 31 CO -0.10 -1.13 0.02 0.27 -2.79 0.00 0.00 177.10 173.37 1um7 s ILE 32 N -2.67 0.19 0.31 -5.21 -4.36 -1.26 -2.33 121.20 105.87 1um7 s ILE 32 Ca 0.49 -1.59 0.06 0.00 -0.26 0.00 0.00 60.65 59.34 1um7 s ILE 32 Cb -0.04 -1.36 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 1um7 s ILE 32 CO 0.30 -0.88 0.25 0.68 0.24 0.00 0.00 174.94 175.53 1um7 s VAL 33 N -3.66 0.00 0.00 8.37 -7.23 0.52 -4.60 120.40 113.81 1um7 s VAL 33 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1um7 s VAL 33 Cb 0.06 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1um7 s VAL 33 CO -0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 1um7 n GLY 34 N -0.56 -2.17 0.00 2.32 0.00 -1.26 -1.53 105.19 101.99 1um7 n GLY 34 Ca 0.06 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.05 1um7 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 35 N -0.01 1.61 3.15 -0.02 0.00 -0.95 -3.31 105.19 105.67 1um7 n GLY 35 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1um7 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1um7 s GLU 36 N -0.31 2.90 -1.47 1.61 2.02 -1.26 -4.30 118.70 117.89 1um7 s GLU 36 Ca 0.00 -0.91 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1um7 s GLU 36 Cb 0.00 -2.75 0.06 0.00 0.10 0.00 0.00 34.13 31.54 1um7 s GLU 36 CO 0.00 -0.29 1.02 -0.25 0.02 0.00 0.00 175.26 175.75 1um7 n ASP 37 N 4.62 -5.41 -4.05 -0.19 8.00 -1.26 -2.01 116.55 116.26 1um7 n ASP 37 Ca -0.19 -0.65 -0.37 0.00 0.71 0.00 0.00 54.79 54.29 1um7 n ASP 37 Cb 0.48 -4.30 -0.01 0.00 -0.02 0.00 0.00 41.12 37.27 1um7 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1um7 n GLY 38 N -1.77 -0.59 0.08 0.44 0.00 -1.26 -4.86 105.19 97.24 1um7 n GLY 38 Ca 0.02 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1um7 n GLY 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1um7 h GLU 39 N -2.17 0.05 0.00 1.61 4.11 -1.67 -3.44 114.58 113.07 1um7 h GLU 39 Ca -0.68 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.66 1um7 h GLU 39 Cb 1.39 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1um7 h GLU 39 CO 0.58 0.75 0.00 0.41 0.07 0.00 0.00 179.01 180.81 1um7 n GLY 40 N 1.55 0.69 3.15 1.06 0.00 -1.23 -4.95 105.19 105.47 1um7 n GLY 40 Ca -0.14 -2.07 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 1um7 n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1um7 s ILE 41 N -1.25 1.05 -0.04 -0.61 -1.09 -1.26 -2.23 121.20 115.77 1um7 s ILE 41 Ca 0.00 -1.21 -0.17 0.00 -2.23 0.00 0.00 60.65 57.04 1um7 s ILE 41 Cb 0.00 -1.01 0.03 0.00 -1.58 0.00 0.00 42.46 39.90 1um7 s ILE 41 CO 0.00 -0.19 0.37 -0.36 -1.23 0.00 0.00 174.94 173.53 1um7 s PHE 42 N -1.19 -0.27 0.34 3.97 0.40 -0.58 -1.52 117.98 119.12 1um7 s PHE 42 Ca -0.02 0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 56.50 1um7 s PHE 42 Cb -0.09 0.14 -0.11 0.00 0.51 0.00 0.00 43.02 43.47 1um7 s PHE 42 CO 0.02 -0.40 1.40 0.08 0.70 0.00 0.00 175.22 177.02 1um7 s VAL 43 N -1.12 2.45 -0.21 -0.44 1.01 -0.51 0.20 120.40 121.77 1um7 s VAL 43 Ca -0.12 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1um7 s VAL 43 Cb -0.04 -3.28 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 1um7 s VAL 43 CO 0.05 0.10 -0.16 -1.54 0.00 0.00 0.00 175.10 173.54 1um7 n SER 44 N 0.93 2.11 -3.70 3.32 3.41 -0.98 -4.00 113.62 114.71 1um7 n SER 44 Ca 0.02 -0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.43 1um7 n SER 44 Cb 0.40 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1um7 n SER 44 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1um7 s PHE 45 N -2.44 -0.25 -0.07 7.33 5.36 -1.26 -4.94 117.98 121.72 1um7 s PHE 45 Ca -0.27 -0.10 -0.01 0.00 -0.96 0.00 0.00 56.93 55.59 1um7 s PHE 45 Cb 0.07 0.54 0.03 0.00 -0.34 0.00 0.00 43.02 43.32 1um7 s PHE 45 CO 0.53 -1.01 -0.00 0.42 -1.46 0.00 0.00 175.22 173.70 1um7 s ILE 46 N -3.86 0.37 0.64 3.12 -1.09 -1.26 0.11 121.20 119.22 1um7 s ILE 46 Ca 0.08 0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 1um7 s ILE 46 Cb -0.03 -0.51 -0.01 0.00 -1.58 0.00 0.00 42.46 40.33 1um7 s ILE 46 CO -0.02 0.25 1.22 -0.22 -1.23 0.00 0.00 174.94 174.94 1um7 s LEU 47 N 1.81 3.55 -0.44 2.97 2.96 -0.43 -4.91 118.68 124.18 1um7 s LEU 47 Ca 0.02 2.41 -0.18 0.00 -0.22 0.00 0.00 54.13 56.16 1um7 s LEU 47 Cb -0.13 -4.60 0.03 0.00 0.50 0.00 0.00 46.19 42.00 1um7 s LEU 47 CO -0.04 -1.85 0.49 0.00 -1.32 0.00 0.00 176.35 173.63 1um7 s ALA 48 N -1.69 3.42 0.00 5.97 0.00 -1.26 -3.80 121.76 124.40 1um7 s ALA 48 Ca 0.77 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1um7 s ALA 48 Cb -0.31 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1um7 s ALA 48 CO 0.38 -1.69 0.00 0.41 0.00 0.00 0.00 175.76 174.86 1um7 n GLY 49 N 5.12 0.78 1.90 0.00 0.00 -1.26 -5.08 105.19 106.65 1um7 n GLY 49 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1um7 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1um7 n GLY 50 N -1.02 -2.45 0.13 -0.02 0.00 -1.25 -4.58 105.19 96.00 1um7 n GLY 50 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 1um7 n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1um7 h PRO 51 N 0.00 0.15 -0.21 1.61 0.13 -1.81 0.59 132.00 132.45 1um7 h PRO 51 Ca -0.22 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.68 1um7 h PRO 51 Cb 0.67 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1um7 h PRO 51 CO 0.15 0.86 -0.26 0.00 -0.23 0.00 0.00 178.00 178.52 1um7 h ALA 52 N 1.09 1.18 0.00 -0.56 0.00 -1.14 0.26 119.26 120.09 1um7 h ALA 52 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1um7 h ALA 52 Cb 1.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1um7 h ALA 52 CO 0.12 0.53 -0.50 0.22 0.00 0.00 0.00 179.25 179.61 1um7 h ASP 53 N 0.35 0.00 -0.42 0.00 1.82 -1.72 -3.16 116.42 113.28 1um7 h ASP 53 Ca 0.05 -0.14 0.06 0.00 -0.39 0.00 0.00 57.03 56.61 1um7 h ASP 53 Cb 0.64 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.56 1um7 h ASP 53 CO 0.05 0.84 -0.50 -0.07 -1.61 0.00 0.00 179.24 177.94 1um7 h LEU 54 N -1.00 -1.68 -0.89 2.28 3.38 0.12 0.32 115.31 117.83 1um7 h LEU 54 Ca -0.06 0.23 0.24 0.00 0.09 0.00 0.00 57.88 58.39 1um7 h LEU 54 Cb 0.56 0.71 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 1um7 h LEU 54 CO -0.04 -0.39 0.31 -1.28 0.09 0.00 0.00 178.44 177.14 1um7 h SER 55 N -0.37 0.15 -0.21 -0.43 0.87 -1.12 -3.45 113.55 108.99 1um7 h SER 55 Ca 0.10 0.18 -0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1um7 h SER 55 Cb 0.59 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1um7 h SER 55 CO -0.59 -0.11 -0.05 0.61 -0.53 0.00 0.00 176.83 176.16 1um7 n GLY 56 N -1.36 0.41 0.37 5.77 0.00 0.11 -4.93 105.19 105.57 1um7 n GLY 56 Ca 0.23 -0.89 -0.20 0.00 0.00 0.00 0.00 46.02 45.16 1um7 n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1um7 n GLU 57 N -2.08 0.41 -2.83 1.61 -0.58 -1.25 -4.98 120.64 110.95 1um7 n GLU 57 Ca -0.02 0.17 -0.40 0.00 -0.42 0.00 0.00 57.16 56.49 1um7 n GLU 57 Cb 0.30 -1.20 -0.06 0.00 -0.57 0.00 0.00 31.44 29.91 1um7 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1um7 s LEU 58 N -6.93 4.59 0.02 -4.62 0.20 -1.20 -5.00 118.68 105.74 1um7 s LEU 58 Ca -0.27 1.79 -0.01 0.00 0.69 0.00 0.00 54.13 56.33 1um7 s LEU 58 Cb 0.10 -3.49 -0.02 0.00 -0.43 0.00 0.00 46.19 42.35 1um7 s LEU 58 CO 0.35 0.11 0.00 -0.13 -0.29 0.00 0.00 176.35 176.39 1um7 s ARG 59 N -0.82 0.35 -0.20 1.98 0.52 -1.26 -4.60 118.95 114.91 1um7 s ARG 59 Ca 0.41 -0.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.75 1um7 s ARG 59 Cb -0.24 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 1um7 s ARG 59 CO 0.29 -0.06 1.89 0.50 0.02 0.00 0.00 175.30 177.93 1um7 s ARG 60 N -1.48 3.56 0.00 3.54 3.52 -1.26 -2.02 118.95 124.81 1um7 s ARG 60 Ca -0.15 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 1um7 s ARG 60 Cb -0.09 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 29.11 1um7 s ARG 60 CO -0.01 -1.60 0.00 0.41 -0.81 0.00 0.00 175.30 173.29 1um7 n GLY 61 N 5.13 1.13 3.70 8.12 0.00 -1.26 -4.94 105.19 117.06 1um7 n GLY 61 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 1um7 n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1um7 s ASP 62 N -1.00 6.61 -0.25 1.61 2.15 -0.85 -1.84 116.67 123.10 1um7 s ASP 62 Ca 0.00 0.72 -0.29 0.00 0.43 0.00 0.00 52.55 53.41 1um7 s ASP 62 Cb 0.00 -2.28 0.01 0.00 -0.30 0.00 0.00 42.92 40.35 1um7 s ASP 62 CO 0.00 -0.06 1.07 -0.60 -0.17 0.00 0.00 175.17 175.41 1um7 s ARG 63 N 1.01 4.20 -0.48 4.34 3.52 0.84 -1.42 118.95 130.96 1um7 s ARG 63 Ca 0.24 1.30 -0.28 0.00 -0.13 0.00 0.00 55.73 56.86 1um7 s ARG 63 Cb -0.15 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1um7 s ARG 63 CO 0.09 -0.72 1.55 0.42 -0.81 0.00 0.00 175.30 175.83 1um7 s ILE 64 N 3.37 3.70 -0.09 4.11 -1.09 -0.57 -0.18 121.20 130.44 1um7 s ILE 64 Ca 0.45 0.64 -0.16 0.00 -2.23 0.00 0.00 60.65 59.36 1um7 s ILE 64 Cb -0.15 -4.15 -0.13 0.00 -1.58 0.00 0.00 42.46 36.45 1um7 s ILE 64 CO 0.09 -0.87 0.57 -0.07 -1.23 0.00 0.00 174.94 173.43 1um7 h LEU 65 N 13.40 -0.10 -7.78 2.97 -0.00 -0.35 -3.38 115.31 120.07 1um7 h LEU 65 Ca -0.28 -0.38 -0.10 0.00 -0.00 0.00 0.00 57.88 57.12 1um7 h LEU 65 Cb 1.12 0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 41.65 1um7 h LEU 65 CO 1.13 0.54 -0.39 -0.94 -0.00 0.00 0.00 178.44 178.77 1um7 s SER 66 N -5.64 0.09 -0.02 -0.43 1.04 -0.53 -3.12 113.70 105.08 1um7 s SER 66 Ca -0.10 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.85 1um7 s SER 66 Cb -0.01 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1um7 s SER 66 CO 0.37 -0.64 -0.15 -0.69 0.98 0.00 0.00 173.24 173.11 1um7 s VAL 67 N -3.22 1.22 0.00 5.02 1.01 -1.10 0.18 120.40 123.51 1um7 s VAL 67 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1um7 s VAL 67 Cb 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.37 1um7 s VAL 67 CO -0.07 0.35 0.00 -3.20 0.00 0.00 0.00 175.10 172.18 1um7 n ASN 68 N 2.89 -0.89 -1.52 3.32 2.85 0.41 0.94 115.26 123.27 1um7 n ASN 68 Ca -0.16 0.45 -0.02 0.00 -0.11 0.00 0.00 54.58 54.74 1um7 n ASN 68 Cb 0.54 -0.94 0.01 0.00 1.24 0.00 0.00 39.78 40.63 1um7 n ASN 68 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1um7 n GLY 69 N -0.45 0.55 3.09 8.20 0.00 -1.26 -4.91 105.19 110.41 1um7 n GLY 69 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1um7 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1um7 s VAL 70 N -3.04 0.87 -0.45 1.61 0.11 0.27 -5.11 120.40 114.65 1um7 s VAL 70 Ca 0.03 -0.80 -0.23 0.00 -2.93 0.00 0.00 61.98 58.06 1um7 s VAL 70 Cb -0.00 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1um7 s VAL 70 CO 0.08 0.01 0.78 0.21 -3.33 0.00 0.00 175.10 172.84 1um7 s ASN 71 N -0.89 6.40 0.00 3.54 2.47 -1.26 -2.70 114.94 122.51 1um7 s ASN 71 Ca 0.00 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1um7 s ASN 71 Cb -0.07 -2.38 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1um7 s ASN 71 CO 0.01 -0.91 0.40 0.18 -3.72 0.00 0.00 177.10 173.06 1um7 n LEU 72 N 6.69 0.80 -0.36 3.21 4.77 -1.20 -4.71 117.00 126.21 1um7 n LEU 72 Ca 0.02 -0.81 0.32 0.00 -0.03 0.00 0.00 56.01 55.51 1um7 n LEU 72 Cb 0.48 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.13 1um7 n LEU 72 CO 0.59 0.20 1.00 0.54 -1.33 0.00 0.00 177.39 178.38 1um7 n ARG 73 N -0.02 -0.04 -2.63 3.23 1.74 -1.18 0.24 116.66 118.00 1um7 n ARG 73 Ca 0.00 1.12 -0.12 0.00 -0.77 0.00 0.00 57.85 58.08 1um7 n ARG 73 Cb 0.04 -2.13 0.03 0.00 -1.02 0.00 0.00 32.46 29.38 1um7 n ARG 73 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1um7 n ASN 74 N -4.62 2.04 -4.73 0.55 3.02 -1.26 -3.49 115.26 106.77 1um7 n ASN 74 Ca 0.34 -2.85 -0.23 0.00 -0.03 0.00 0.00 54.58 51.81 1um7 n ASN 74 Cb 1.26 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 39.86 1um7 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1um7 s ALA 75 N -3.23 3.42 0.69 5.41 0.00 0.14 -4.72 121.76 123.47 1um7 s ALA 75 Ca 0.31 -1.67 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1um7 s ALA 75 Cb 0.44 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1um7 s ALA 75 CO -0.00 0.16 1.07 0.95 0.00 0.00 0.00 175.76 177.94 1um7 s THR 76 N -2.32 3.43 0.31 0.00 -4.23 -1.26 -3.94 115.64 107.62 1um7 s THR 76 Ca 0.35 0.38 0.04 0.00 -1.18 0.00 0.00 61.69 61.28 1um7 s THR 76 Cb -0.05 -3.45 0.30 0.00 1.34 0.00 0.00 72.50 70.64 1um7 s THR 76 CO 0.22 -0.57 1.84 -0.74 -0.54 0.00 0.00 174.62 174.83 1um7 h HIS 77 N -0.60 1.04 0.47 3.99 2.76 -1.74 0.28 115.15 121.35 1um7 h HIS 77 Ca -0.45 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 1um7 h HIS 77 Cb 1.26 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.89 1um7 h HIS 77 CO 0.49 0.39 -0.22 1.49 -1.30 0.00 0.00 177.93 178.77 1um7 h GLU 78 N 0.88 -0.60 -0.99 5.26 4.81 -1.92 0.42 114.58 122.44 1um7 h GLU 78 Ca 0.49 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.90 1um7 h GLU 78 Cb 0.60 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.03 1um7 h GLU 78 CO -0.26 -0.31 0.62 1.96 -0.73 0.00 0.00 179.01 180.29 1um7 h GLN 79 N -0.86 0.90 0.00 1.92 4.20 -1.74 1.30 115.11 120.83 1um7 h GLN 79 Ca -0.06 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1um7 h GLN 79 Cb 0.58 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1um7 h GLN 79 CO 0.11 0.60 -0.38 0.00 -0.67 0.00 0.00 178.83 178.48 1um7 h ALA 80 N 1.56 1.25 0.11 3.87 0.00 -0.32 -2.47 119.26 123.26 1um7 h ALA 80 Ca 0.50 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1um7 h ALA 80 Cb 0.57 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1um7 h ALA 80 CO -0.27 0.47 -0.69 0.00 0.00 0.00 0.00 179.25 178.76 1um7 h ALA 81 N 1.62 -0.05 -0.27 0.00 0.00 0.21 -3.21 119.26 117.56 1um7 h ALA 81 Ca -0.00 -0.69 0.08 0.00 0.00 0.00 0.00 54.91 54.30 1um7 h ALA 81 Cb 0.72 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1um7 h ALA 81 CO 0.05 0.33 0.36 0.00 0.00 0.00 0.00 179.25 179.99 1um7 h ALA 82 N 0.05 1.87 0.00 0.00 0.00 0.15 1.62 119.26 122.96 1um7 h ALA 82 Ca -0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1um7 h ALA 82 Cb 1.51 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1um7 h ALA 82 CO 0.11 -0.50 -0.16 0.00 0.00 0.00 0.00 179.25 178.70 1um7 h ALA 83 N 1.53 0.95 0.00 0.00 0.00 -1.45 0.38 119.26 120.68 1um7 h ALA 83 Ca 0.13 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1um7 h ALA 83 Cb 0.85 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1um7 h ALA 83 CO -0.00 0.20 -1.78 1.28 0.00 0.00 0.00 179.25 178.95 1um7 n LEU 84 N -3.22 0.36 0.07 0.00 7.99 0.52 -3.11 117.00 119.61 1um7 n LEU 84 Ca 0.01 0.15 0.01 0.00 -0.01 0.00 0.00 56.01 56.18 1um7 n LEU 84 Cb 0.47 0.12 -0.05 0.00 -0.11 0.00 0.00 43.42 43.86 1um7 n LEU 84 CO 0.33 0.12 -0.06 0.11 -1.51 0.00 0.00 177.39 176.39 1um7 h LYS 85 N 0.00 0.00 -0.00 3.23 6.56 -0.42 -3.27 116.57 122.67 1um7 h LYS 85 Ca -0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1um7 h LYS 85 Cb 1.44 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.10 1um7 h LYS 85 CO 0.02 0.34 -0.45 2.89 -2.06 0.00 0.00 179.45 180.18 1um7 n ARG 86 N -2.97 0.35 0.00 3.15 -4.01 0.13 -4.85 116.66 108.45 1um7 n ARG 86 Ca -0.06 -0.22 0.00 0.00 -1.04 0.00 0.00 57.85 56.53 1um7 n ARG 86 Cb 0.79 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.72 1um7 n ARG 86 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1um7 n ALA 87 N -1.13 0.00 -3.00 2.89 0.00 -1.18 -5.04 120.51 113.04 1um7 n ALA 87 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1um7 n ALA 87 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1um7 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1um7 n GLY 88 N 3.17 2.62 0.15 0.00 0.00 -1.26 -5.04 105.19 104.82 1um7 n GLY 88 Ca 0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1um7 n GLY 88 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1um7 h GLN 89 N 0.00 -0.24 -4.07 1.61 4.20 -1.94 -3.36 115.11 111.31 1um7 h GLN 89 Ca 0.00 0.02 -0.76 0.00 0.06 0.00 0.00 58.65 57.96 1um7 h GLN 89 Cb 0.00 0.05 -0.24 0.00 0.30 0.00 0.00 27.48 27.59 1um7 h GLN 89 CO 0.00 -0.16 -0.20 -1.12 -0.67 0.00 0.00 178.83 176.68 1um7 s SER 90 N -4.98 6.23 -0.09 1.46 0.01 -1.26 -0.86 113.70 114.20 1um7 s SER 90 Ca -0.14 -1.87 -0.01 0.00 1.31 0.00 0.00 55.95 55.24 1um7 s SER 90 Cb 0.06 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 1um7 s SER 90 CO 0.65 -0.83 -0.03 -0.69 0.41 0.00 0.00 173.24 172.75 1um7 s VAL 91 N 1.47 4.00 -0.49 3.43 1.01 -0.71 -5.01 120.40 124.11 1um7 s VAL 91 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1um7 s VAL 91 Cb -0.28 -2.68 0.12 0.00 0.00 0.00 0.00 36.38 33.54 1um7 s VAL 91 CO 0.02 0.58 0.38 -0.89 0.00 0.00 0.00 175.10 175.19 1um7 s THR 92 N -0.59 4.53 -0.42 3.92 2.01 -1.26 -1.18 115.64 122.65 1um7 s THR 92 Ca 0.09 -1.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.28 1um7 s THR 92 Cb -0.12 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1um7 s THR 92 CO 0.02 -0.78 0.35 -0.63 -0.69 0.00 0.00 174.62 172.90 1um7 s ILE 93 N 1.44 5.20 -0.55 1.82 1.09 -0.27 0.16 121.20 130.08 1um7 s ILE 93 Ca 0.05 -0.57 -0.18 0.00 -1.10 0.00 0.00 60.65 58.85 1um7 s ILE 93 Cb -0.27 -3.98 0.11 0.00 -1.06 0.00 0.00 42.46 37.26 1um7 s ILE 93 CO 0.01 -0.36 0.59 -0.69 -0.10 0.00 0.00 174.94 174.39 1um7 s VAL 94 N 1.84 5.01 0.11 2.92 1.01 0.13 0.55 120.40 131.97 1um7 s VAL 94 Ca 0.07 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1um7 s VAL 94 Cb -0.19 -4.39 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1um7 s VAL 94 CO 0.11 -0.96 -0.17 0.00 0.00 0.00 0.00 175.10 174.08 1um7 s ALA 95 N 2.18 1.65 -0.14 5.51 0.00 -0.85 0.40 121.76 130.52 1um7 s ALA 95 Ca 0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 1um7 s ALA 95 Cb -0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1um7 s ALA 95 CO 0.06 0.23 -0.08 1.14 0.00 0.00 0.00 175.76 177.11 1um7 s GLN 96 N -2.25 3.48 -0.59 0.00 -2.07 0.74 0.15 119.66 119.11 1um7 s GLN 96 Ca 0.07 -0.59 -0.26 0.00 -1.82 0.00 0.00 55.36 52.76 1um7 s GLN 96 Cb -0.08 -2.77 -0.08 0.00 -1.09 0.00 0.00 33.01 28.99 1um7 s GLN 96 CO 0.04 0.27 2.33 -0.47 -1.32 0.00 0.00 175.29 176.14 1um7 s TYR 97 N 0.25 1.18 -0.48 9.60 6.14 -1.24 -0.11 117.35 132.70 1um7 s TYR 97 Ca -0.06 1.54 0.04 0.00 0.64 0.00 0.00 57.07 59.23 1um7 s TYR 97 Cb -0.15 -3.62 0.16 0.00 0.42 0.00 0.00 41.96 38.77 1um7 s TYR 97 CO 0.04 -2.25 0.35 0.50 0.64 0.00 0.00 175.55 174.82 1um7 s ARG 98 N 8.23 1.28 0.47 4.97 3.52 -0.76 -4.83 118.95 131.82 1um7 s ARG 98 Ca 0.92 -2.29 0.28 0.00 -0.13 0.00 0.00 55.73 54.50 1um7 s ARG 98 Cb -0.15 -2.00 0.87 0.00 -1.56 0.00 0.00 34.95 32.11 1um7 s ARG 98 CO 0.20 -1.31 1.80 -1.00 -0.81 0.00 0.00 175.30 174.18 1um7 h PRO 99 N 5.89 0.00 -0.43 5.12 0.13 -1.84 -3.00 132.00 137.88 1um7 h PRO 99 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1um7 h PRO 99 Cb 0.88 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 1um7 h PRO 99 CO 0.46 0.00 0.18 1.49 -0.23 0.00 0.00 178.00 179.90 1um7 h GLU 100 N 0.00 0.63 0.36 0.86 4.81 -1.91 -1.79 114.58 117.53 1um7 h GLU 100 Ca 0.00 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1um7 h GLU 100 Cb 0.73 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1um7 h GLU 100 CO 0.00 0.57 -0.17 0.93 -0.73 0.00 0.00 179.01 179.61 1um7 h GLU 101 N 0.54 -0.46 -1.45 1.92 4.39 -1.90 -3.19 114.58 114.43 1um7 h GLU 101 Ca 0.14 0.03 0.45 0.00 0.34 0.00 0.00 59.36 60.32 1um7 h GLU 101 Cb 0.17 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.82 1um7 h GLU 101 CO -0.01 -0.22 0.98 -0.92 -1.16 0.00 0.00 179.01 177.68 1um7 h TYR 102 N -1.07 0.33 -0.70 4.33 3.20 -1.56 1.49 116.97 122.98 1um7 h TYR 102 Ca -0.05 0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.04 1um7 h TYR 102 Cb 0.45 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1um7 h TYR 102 CO 0.02 -0.11 0.62 1.03 -1.64 0.00 0.00 178.16 178.07 1um7 h SER 103 N 0.07 0.00 0.24 -2.11 0.87 -1.30 1.09 113.55 112.40 1um7 h SER 103 Ca 0.80 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.32 1um7 h SER 103 Cb 2.77 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.73 1um7 h SER 103 CO -0.26 0.00 -0.20 0.08 -0.53 0.00 0.00 176.83 175.93 1um7 h ARG 104 N 0.00 0.00 0.18 2.24 0.11 0.19 -2.80 114.38 114.30 1um7 h ARG 104 Ca 0.33 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 60.06 1um7 h ARG 104 Cb 1.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.65 1um7 h ARG 104 CO -0.00 0.20 -1.80 0.74 0.10 0.00 0.00 179.97 179.20 1um7 h PHE 105 N 0.00 0.68 -0.66 4.08 0.04 0.11 -3.33 116.94 117.85 1um7 h PHE 105 Ca -0.00 -0.50 0.12 0.00 2.80 0.00 0.00 57.97 60.39 1um7 h PHE 105 Cb 0.37 -0.03 -0.12 0.00 2.20 0.00 0.00 35.95 38.37 1um7 h PHE 105 CO 0.00 1.70 -0.32 0.93 -0.60 0.00 0.00 178.31 180.03 1um7 h GLU 106 N 0.10 -0.11 0.28 1.51 4.39 -1.09 -1.08 114.58 118.57 1um7 h GLU 106 Ca -0.36 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1um7 h GLU 106 Cb 2.09 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 30.73 1um7 h GLU 106 CO 0.16 -0.08 -0.50 1.03 -1.16 0.00 0.00 179.01 178.46 1um7 h SER 107 N -0.12 -1.46 -2.24 1.42 0.87 -1.69 -3.40 113.55 106.93 1um7 h SER 107 Ca 0.26 0.14 -0.57 0.00 -1.23 0.00 0.00 61.79 60.40 1um7 h SER 107 Cb 0.56 0.52 0.02 0.00 -0.44 0.00 0.00 62.40 63.06 1um7 h SER 107 CO -0.73 -0.59 1.15 -1.20 -0.53 0.00 0.00 176.83 174.92 1um7 n SER 108 N -5.52 3.83 0.00 6.23 7.64 -0.41 -4.54 113.62 120.85 1um7 n SER 108 Ca -0.10 0.95 0.00 0.00 1.01 0.00 0.00 58.87 60.73 1um7 n SER 108 Cb 0.43 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1um7 n SER 108 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1um7 n GLY 109 N 4.40 0.29 3.55 0.23 0.00 -1.26 -4.89 105.19 107.52 1um7 n GLY 109 Ca 0.21 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 1um7 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1um7 s PRO 110 N -1.18 3.00 0.14 1.61 0.04 -1.26 -4.97 135.00 132.38 1um7 s PRO 110 Ca 0.00 -0.25 -0.27 0.00 0.04 0.00 0.00 61.00 60.52 1um7 s PRO 110 Cb 0.00 -4.73 -0.07 0.00 0.04 0.00 0.00 34.50 29.74 1um7 s PRO 110 CO 0.00 -2.60 0.83 0.45 0.04 0.00 0.00 177.00 175.72 1um7 s SER 111 N 6.14 7.41 -0.23 6.66 0.15 -1.26 -4.42 113.70 128.15 1um7 s SER 111 Ca 0.54 1.67 -0.20 0.00 0.70 0.00 0.00 55.95 58.66 1um7 s SER 111 Cb -0.07 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1um7 s SER 111 CO 0.07 0.12 0.34 -1.54 1.20 0.00 0.00 173.24 173.42 1um7 n SER 112 N 2.02 -5.79 0.00 5.45 3.41 -1.26 -5.23 113.62 112.22 1um7 n SER 112 Ca -0.03 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1um7 n SER 112 Cb 0.49 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1um7 n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49