#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 -0.11 0.22 1.61 1.04 -1.26 -5.19 113.70 110.00 1um7 s SER 2 Ca 0.00 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.07 1um7 s SER 2 Cb 0.00 0.34 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 1um7 s SER 2 CO 0.00 -0.64 0.26 -0.44 0.98 0.00 0.00 173.24 173.41 1um7 s SER 3 N -3.00 0.06 0.00 7.02 0.01 -1.26 -5.16 113.70 111.37 1um7 s SER 3 Ca 0.14 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1um7 s SER 3 Cb 0.01 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1um7 s SER 3 CO -0.00 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.31 1um7 n GLY 4 N -0.31 0.04 3.02 3.44 0.00 -1.26 -5.13 105.19 105.00 1um7 n GLY 4 Ca 0.00 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1um7 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1um7 n SER 5 N 3.00 -5.65 -3.60 1.61 3.41 -1.26 -5.01 113.62 106.13 1um7 n SER 5 Ca 0.00 0.17 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1um7 n SER 5 Cb 0.00 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 1um7 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1um7 s SER 6 N -1.05 -0.36 -0.30 4.04 0.15 -1.26 -5.17 113.70 109.75 1um7 s SER 6 Ca 0.41 -0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 1um7 s SER 6 Cb -0.16 0.57 0.20 0.00 -1.71 0.00 0.00 66.02 64.91 1um7 s SER 6 CO 0.81 -0.99 1.28 -0.83 1.20 0.00 0.00 173.24 174.71 1um7 s GLY 7 N -2.81 0.49 0.53 9.45 0.00 -1.26 -5.17 107.32 108.56 1um7 s GLY 7 Ca 0.05 3.68 -0.16 0.00 0.00 0.00 0.00 44.72 48.28 1um7 s GLY 7 CO -0.08 2.52 1.00 0.50 0.00 0.00 0.00 173.10 177.04 1um7 s ARG 8 N 0.78 3.81 0.91 2.90 0.52 -1.26 -5.06 118.95 121.55 1um7 s ARG 8 Ca -0.04 1.02 -0.15 0.00 -0.52 0.00 0.00 55.73 56.03 1um7 s ARG 8 Cb -0.03 -2.11 0.22 0.00 0.52 0.00 0.00 34.95 33.54 1um7 s ARG 8 CO -0.12 -0.39 1.00 -0.35 0.02 0.00 0.00 175.30 175.46 1um7 n PRO 9 N -1.67 -1.90 0.02 3.54 -0.04 -1.26 -5.06 135.00 128.62 1um7 n PRO 9 Ca 0.07 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1um7 n PRO 9 Cb 0.54 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -2.81 -0.06 0.00 0.55 0.00 -1.26 -5.14 105.19 96.46 1um7 n GLY 10 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.65 1.88 3.53 -0.02 0.00 -1.26 -5.02 105.19 106.95 1um7 n GLY 11 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1um7 n GLY 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1um7 s ASP 12 N 0.00 6.72 -1.05 1.61 1.11 -1.26 -4.86 116.67 118.94 1um7 s ASP 12 Ca 0.00 -2.11 -0.07 0.00 0.18 0.00 0.00 52.55 50.55 1um7 s ASP 12 Cb 0.00 -2.51 -0.08 0.00 1.07 0.00 0.00 42.92 41.40 1um7 s ASP 12 CO 0.00 -1.20 2.43 0.00 1.18 0.00 0.00 175.17 177.59 1um7 n ALA 13 N 7.75 5.61 0.00 5.23 0.00 -1.26 -3.34 120.51 134.51 1um7 n ALA 13 Ca 0.36 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.41 1um7 n ALA 13 Cb 0.48 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.88 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 3.86 0.00 -0.94 0.00 3.00 -1.26 -4.61 116.66 116.72 1um7 n ARG 14 Ca 0.54 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 58.09 1um7 n ARG 14 Cb 0.21 -0.50 0.23 0.00 0.00 0.00 0.00 32.46 32.40 1um7 n ARG 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1um7 s GLU 15 N -1.69 -0.83 0.49 5.56 2.02 -1.21 -4.21 118.70 118.83 1um7 s GLU 15 Ca 0.00 0.31 -0.20 0.00 0.02 0.00 0.00 54.97 55.09 1um7 s GLU 15 Cb 0.00 -1.61 -0.08 0.00 0.10 0.00 0.00 34.13 32.54 1um7 s GLU 15 CO 0.00 -3.53 1.04 -1.25 0.02 0.00 0.00 175.26 171.54 1um7 s PRO 16 N -5.04 3.80 -0.01 0.39 0.04 -1.26 -4.18 135.00 128.74 1um7 s PRO 16 Ca 0.68 1.36 0.02 0.00 0.04 0.00 0.00 61.00 63.10 1um7 s PRO 16 Cb -0.16 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1um7 s PRO 16 CO 0.58 -0.43 -0.05 -0.98 0.04 0.00 0.00 177.00 176.16 1um7 s ARG 17 N -3.24 0.55 -0.39 4.56 1.70 -0.54 -4.94 118.95 116.66 1um7 s ARG 17 Ca 0.67 -0.17 -0.29 0.00 -0.47 0.00 0.00 55.73 55.47 1um7 s ARG 17 Cb -0.16 -0.56 0.00 0.00 -0.57 0.00 0.00 34.95 33.67 1um7 s ARG 17 CO 0.20 0.07 1.48 0.21 -1.08 0.00 0.00 175.30 176.18 1um7 s LYS 18 N 0.17 3.54 -0.30 3.89 2.20 -1.26 -2.62 119.74 125.36 1um7 s LYS 18 Ca -0.02 1.04 -0.03 0.00 -0.36 0.00 0.00 55.97 56.61 1um7 s LYS 18 Cb -0.06 -4.05 0.04 0.00 -1.51 0.00 0.00 37.83 32.25 1um7 s LYS 18 CO -0.00 -1.60 0.02 0.42 -0.36 0.00 0.00 175.35 173.82 1um7 s ILE 19 N 5.66 3.20 -0.44 5.43 1.01 0.23 -4.97 121.20 131.31 1um7 s ILE 19 Ca 0.65 -1.25 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1um7 s ILE 19 Cb -0.15 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.58 1um7 s ILE 19 CO 0.33 -0.08 0.33 -0.63 0.00 0.00 0.00 174.94 174.89 1um7 s ILE 20 N 1.31 4.93 0.01 2.92 1.01 -1.26 0.19 121.20 130.31 1um7 s ILE 20 Ca -0.04 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.43 1um7 s ILE 20 Cb -0.19 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 1um7 s ILE 20 CO -0.00 -0.50 0.33 -0.76 0.00 0.00 0.00 174.94 174.01 1um7 s LEU 21 N 1.59 4.40 -0.50 2.97 2.01 -0.71 -4.93 118.68 123.50 1um7 s LEU 21 Ca 0.04 0.74 -0.12 0.00 0.01 0.00 0.00 54.13 54.80 1um7 s LEU 21 Cb -0.23 -2.65 0.13 0.00 0.01 0.00 0.00 46.19 43.45 1um7 s LEU 21 CO 0.06 0.28 0.41 -1.00 1.01 0.00 0.00 176.35 177.10 1um7 s HIS 22 N -1.22 3.37 -0.49 0.29 3.76 -1.26 -2.58 115.29 117.16 1um7 s HIS 22 Ca 0.26 -1.68 -0.46 0.00 -0.15 0.00 0.00 55.06 53.03 1um7 s HIS 22 Cb -0.14 -3.61 -0.20 0.00 1.11 0.00 0.00 32.58 29.74 1um7 s HIS 22 CO 0.14 -1.00 1.66 1.63 -0.85 0.00 0.00 174.74 176.31 1um7 n LYS 23 N 5.00 0.00 0.04 1.40 5.02 -0.67 -4.61 118.16 124.34 1um7 n LYS 23 Ca -0.09 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.97 1um7 n LYS 23 Cb 0.41 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.79 1um7 n LYS 23 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1um7 h GLY 24 N 5.50 0.37 0.00 0.72 0.00 -1.89 -3.48 103.07 104.29 1um7 h GLY 24 Ca -0.39 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 45.99 1um7 h GLY 24 CO 0.98 0.83 0.00 1.44 0.00 0.00 0.00 176.54 179.79 1um7 n SER 25 N -3.59 -0.71 0.13 0.19 7.64 -1.26 -4.99 113.62 111.02 1um7 n SER 25 Ca -0.28 0.55 -0.13 0.00 1.01 0.00 0.00 58.87 60.02 1um7 n SER 25 Cb 1.04 1.06 -0.08 0.00 -1.01 0.00 0.00 64.21 65.22 1um7 n SER 25 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1um7 h THR 26 N 0.00 0.75 0.00 0.44 1.35 -2.00 -3.50 112.91 109.95 1um7 h THR 26 Ca 0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1um7 h THR 26 Cb 0.00 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1um7 h THR 26 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1um7 n GLY 27 N -0.08 1.10 0.02 5.82 0.00 -1.26 -4.97 105.19 105.83 1um7 n GLY 27 Ca -0.09 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.22 1um7 n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1um7 n LEU 28 N 0.00 0.55 -0.28 0.99 7.99 -1.26 -3.02 117.00 121.97 1um7 n LEU 28 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 1um7 n LEU 28 Cb 0.00 -0.24 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1um7 n LEU 28 CO 0.00 0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.62 1um7 n GLY 29 N 1.48 0.81 3.57 -0.72 0.00 -1.26 -0.25 105.19 108.82 1um7 n GLY 29 Ca 0.06 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.56 -0.62 0.52 1.61 -0.12 -1.26 0.51 117.98 116.05 1um7 s PHE 30 Ca 0.00 1.24 0.03 0.00 -0.05 0.00 0.00 56.93 58.16 1um7 s PHE 30 Cb 0.00 0.38 0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1um7 s PHE 30 CO 0.00 -0.46 0.72 1.21 -0.05 0.00 0.00 175.22 176.64 1um7 s ASN 31 N -0.63 5.36 0.06 1.98 3.84 0.27 -4.94 114.94 120.87 1um7 s ASN 31 Ca -0.05 -0.16 0.03 0.00 0.21 0.00 0.00 52.86 52.88 1um7 s ASN 31 Cb -0.02 -0.76 -0.03 0.00 -0.55 0.00 0.00 41.25 39.89 1um7 s ASN 31 CO 0.05 -1.06 -0.08 0.27 -2.79 0.00 0.00 177.10 173.49 1um7 s ILE 32 N -2.65 0.64 0.27 -5.21 -4.36 -1.26 -2.39 121.20 106.23 1um7 s ILE 32 Ca 0.57 -1.25 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 1um7 s ILE 32 Cb -0.10 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.73 1um7 s ILE 32 CO 0.37 -0.44 0.20 0.68 0.24 0.00 0.00 174.94 175.99 1um7 s VAL 33 N -1.74 0.01 0.00 8.37 -7.23 0.53 -4.59 120.40 115.75 1um7 s VAL 33 Ca -0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1um7 s VAL 33 Cb -0.07 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1um7 s VAL 33 CO -0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1um7 n GLY 34 N -0.45 -1.14 0.00 2.32 0.00 -1.26 -1.47 105.19 103.19 1um7 n GLY 34 Ca 0.05 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 1.57 2.95 -0.02 0.00 -1.23 -3.60 105.19 104.86 1um7 n GLY 35 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.40 1.77 -1.57 1.61 2.02 -1.26 -4.64 118.70 116.23 1um7 s GLU 36 Ca 0.00 -0.36 -0.18 0.00 0.02 0.00 0.00 54.97 54.45 1um7 s GLU 36 Cb 0.00 -1.71 0.16 0.00 0.10 0.00 0.00 34.13 32.68 1um7 s GLU 36 CO 0.00 -0.22 0.63 -0.25 0.02 0.00 0.00 175.26 175.44 1um7 n ASP 37 N 4.74 -2.80 -3.94 -0.19 8.00 -1.26 -0.82 116.55 120.29 1um7 n ASP 37 Ca -0.15 -0.87 -0.41 0.00 0.71 0.00 0.00 54.79 54.07 1um7 n ASP 37 Cb 0.50 -2.34 0.03 0.00 -0.02 0.00 0.00 41.12 39.29 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 -1.19 -0.92 0.08 0.44 0.00 -1.26 -4.87 105.19 97.47 1um7 n GLY 38 Ca 0.07 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.25 0.01 0.00 1.61 4.11 -1.22 -3.44 114.58 113.39 1um7 h GLU 39 Ca -0.69 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.72 1um7 h GLU 39 Cb 1.39 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1um7 h GLU 39 CO 0.49 0.57 0.00 0.41 0.07 0.00 0.00 179.01 180.56 1um7 n GLY 40 N 1.54 2.49 3.41 1.06 0.00 -1.23 -5.00 105.19 107.46 1um7 n GLY 40 Ca -0.15 -1.92 -0.32 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 -1.75 2.76 0.15 -0.61 -1.09 -1.24 -3.58 121.20 115.85 1um7 s ILE 41 Ca 0.00 -0.83 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 1um7 s ILE 41 Cb 0.00 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 1um7 s ILE 41 CO 0.00 0.58 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.89 1um7 s PHE 42 N -0.49 1.18 -0.04 3.97 0.40 -0.54 0.35 117.98 122.80 1um7 s PHE 42 Ca 0.06 -0.92 -0.28 0.00 -0.60 0.00 0.00 56.93 55.20 1um7 s PHE 42 Cb -0.12 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 42.73 1um7 s PHE 42 CO 0.01 -0.10 0.90 0.08 0.70 0.00 0.00 175.22 176.82 1um7 s VAL 43 N -3.54 4.90 -0.03 -0.44 1.01 -0.93 0.20 120.40 121.57 1um7 s VAL 43 Ca 0.20 1.88 0.07 0.00 0.00 0.00 0.00 61.98 64.12 1um7 s VAL 43 Cb 0.05 -4.24 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 1um7 s VAL 43 CO 0.01 0.15 0.73 0.77 0.00 0.00 0.00 175.10 176.76 1um7 h SER 44 N 6.87 0.12 -5.07 3.32 4.64 -1.72 -3.27 113.55 118.44 1um7 h SER 44 Ca -0.39 -0.22 0.18 0.00 -0.47 0.00 0.00 61.79 60.89 1um7 h SER 44 Cb 1.20 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.13 1um7 h SER 44 CO 0.77 1.19 0.56 0.12 -0.87 0.00 0.00 176.83 178.60 1um7 s PHE 45 N -2.61 -0.19 -0.15 4.77 5.36 -1.26 -4.90 117.98 119.00 1um7 s PHE 45 Ca -0.07 -0.01 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 1um7 s PHE 45 Cb 0.08 0.58 0.04 0.00 -0.34 0.00 0.00 43.02 43.38 1um7 s PHE 45 CO 0.82 -0.61 -0.05 0.42 -1.46 0.00 0.00 175.22 174.34 1um7 s ILE 46 N -3.05 1.00 0.67 3.12 -1.09 -1.26 0.94 121.20 121.53 1um7 s ILE 46 Ca 0.10 -0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.88 1um7 s ILE 46 Cb -0.00 -1.15 -0.02 0.00 -1.58 0.00 0.00 42.46 39.70 1um7 s ILE 46 CO -0.03 0.19 0.89 -0.11 -1.23 0.00 0.00 174.94 174.65 1um7 n LEU 47 N 4.92 3.16 -4.47 2.97 7.94 0.18 -4.92 117.00 126.79 1um7 n LEU 47 Ca -0.12 0.71 -0.43 0.00 -1.11 0.00 0.00 56.01 55.06 1um7 n LEU 47 Cb 0.48 -1.37 -0.08 0.00 0.53 0.00 0.00 43.42 42.99 1um7 n LEU 47 CO 0.16 -2.15 0.11 0.00 -1.11 0.00 0.00 177.39 174.39 1um7 s ALA 48 N -1.70 3.44 0.00 1.96 0.00 -1.26 -3.86 121.76 120.34 1um7 s ALA 48 Ca 0.74 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1um7 s ALA 48 Cb -0.38 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1um7 s ALA 48 CO 0.50 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 175.03 1um7 n GLY 49 N 5.13 1.20 1.67 0.00 0.00 -1.26 -5.07 105.19 106.86 1um7 n GLY 49 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.89 -2.42 0.15 -0.02 0.00 -1.25 -4.56 105.19 96.19 1um7 n GLY 50 Ca 0.00 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 0.27 0.00 1.61 0.13 -1.81 0.66 132.00 132.87 1um7 h PRO 51 Ca -0.19 -0.26 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 1um7 h PRO 51 Cb 0.59 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1um7 h PRO 51 CO 0.13 0.95 -0.37 0.00 -0.23 0.00 0.00 178.00 178.48 1um7 h ALA 52 N 0.96 1.18 0.00 -0.56 0.00 -0.83 0.19 119.26 120.20 1um7 h ALA 52 Ca -0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1um7 h ALA 52 Cb 1.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1um7 h ALA 52 CO 0.13 0.47 -0.70 -3.47 0.00 0.00 0.00 179.25 175.68 1um7 n ASP 53 N -3.80 1.82 -0.05 0.00 -0.08 -1.14 -3.76 116.55 109.53 1um7 n ASP 53 Ca -0.01 0.59 -0.11 0.00 -1.51 0.00 0.00 54.79 53.75 1um7 n ASP 53 Cb 0.45 -0.89 -0.05 0.00 2.34 0.00 0.00 41.12 42.97 1um7 n ASP 53 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1um7 h LEU 54 N -1.00 -1.27 -0.98 -2.67 3.38 0.27 -0.19 115.31 112.86 1um7 h LEU 54 Ca -0.08 0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.26 1um7 h LEU 54 Cb 0.70 0.54 -0.18 0.00 0.09 0.00 0.00 40.66 41.81 1um7 h LEU 54 CO -0.05 -0.39 -0.25 0.28 0.09 0.00 0.00 178.44 178.12 1um7 h SER 55 N -0.40 -0.93 0.00 -0.43 0.02 -1.13 -3.44 113.55 107.24 1um7 h SER 55 Ca 0.11 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1um7 h SER 55 Cb 0.59 0.61 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1um7 h SER 55 CO -0.46 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 175.52 1um7 n GLY 56 N -1.61 1.45 0.00 -3.77 0.00 -0.08 -4.94 105.19 96.23 1um7 n GLY 56 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.00 -1.55 1.61 4.71 -1.26 -4.85 120.64 117.30 1um7 n GLU 57 Ca 0.00 0.28 -0.41 0.00 -0.01 0.00 0.00 57.16 57.02 1um7 n GLU 57 Cb 0.00 -0.89 0.01 0.00 -1.01 0.00 0.00 31.44 29.55 1um7 n GLU 57 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1um7 n LEU 58 N -1.35 1.76 -3.87 -4.62 0.00 -1.25 -5.00 117.00 102.68 1um7 n LEU 58 Ca 0.00 0.96 -0.11 0.00 0.00 0.00 0.00 56.01 56.86 1um7 n LEU 58 Cb 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 43.42 42.06 1um7 n LEU 58 CO 0.00 -2.05 -0.15 -0.13 0.00 0.00 0.00 177.39 175.06 1um7 s ARG 59 N -1.94 0.56 -0.19 1.96 0.52 -1.26 -4.69 118.95 113.90 1um7 s ARG 59 Ca 0.65 -0.49 -0.29 0.00 -0.52 0.00 0.00 55.73 55.07 1um7 s ARG 59 Cb -0.56 0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.11 1um7 s ARG 59 CO 0.56 -0.14 1.66 0.50 0.02 0.00 0.00 175.30 177.90 1um7 s ARG 60 N -1.82 3.82 0.00 3.54 3.52 -1.26 -2.32 118.95 124.43 1um7 s ARG 60 Ca -0.11 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 1um7 s ARG 60 Cb -0.05 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 1um7 s ARG 60 CO -0.00 -1.27 0.00 0.41 -0.81 0.00 0.00 175.30 173.63 1um7 n GLY 61 N 4.64 1.17 3.09 8.12 0.00 -1.23 -4.97 105.19 116.01 1um7 n GLY 61 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1um7 n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1um7 n ASP 62 N 0.00 -2.71 -3.86 1.61 9.92 -0.98 -3.97 116.55 116.56 1um7 n ASP 62 Ca 0.00 -0.20 -0.30 0.00 -0.53 0.00 0.00 54.79 53.76 1um7 n ASP 62 Cb 0.00 -0.77 -0.15 0.00 -0.64 0.00 0.00 41.12 39.56 1um7 n ASP 62 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1um7 s ARG 63 N -3.09 1.14 0.19 -1.24 3.52 0.61 -2.20 118.95 117.89 1um7 s ARG 63 Ca 0.41 -1.16 -0.32 0.00 -0.13 0.00 0.00 55.73 54.52 1um7 s ARG 63 Cb -0.04 -2.44 -0.12 0.00 -1.56 0.00 0.00 34.95 30.78 1um7 s ARG 63 CO 0.49 -0.83 1.72 -0.89 -0.81 0.00 0.00 175.30 174.98 1um7 n ILE 64 N 4.68 0.03 -0.06 4.11 2.08 0.15 -1.83 119.36 128.53 1um7 n ILE 64 Ca -0.04 -0.01 -0.14 0.00 0.56 0.00 0.00 62.75 63.12 1um7 n ILE 64 Cb 0.43 -1.94 -0.05 0.00 -0.75 0.00 0.00 39.64 37.33 1um7 n ILE 64 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1um7 n LEU 65 N 4.05 1.13 -3.88 1.39 4.77 0.12 -3.69 117.00 120.88 1um7 n LEU 65 Ca 0.16 0.19 -0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1um7 n LEU 65 Cb 0.34 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1um7 n LEU 65 CO 0.64 0.15 -0.16 -0.94 -1.33 0.00 0.00 177.39 175.75 1um7 s SER 66 N -6.26 0.08 -0.01 -1.43 1.04 -1.11 -2.81 113.70 103.21 1um7 s SER 66 Ca -0.20 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 55.91 1um7 s SER 66 Cb 0.07 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1um7 s SER 66 CO 0.25 -0.48 -0.15 -0.69 0.98 0.00 0.00 173.24 173.15 1um7 s VAL 67 N -2.19 1.20 0.00 5.02 1.01 -1.12 -0.70 120.40 123.62 1um7 s VAL 67 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1um7 s VAL 67 Cb -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1um7 s VAL 67 CO -0.02 0.34 0.00 -3.20 0.00 0.00 0.00 175.10 172.22 1um7 n ASN 68 N 2.72 -0.90 -1.65 3.32 2.85 0.21 0.83 115.26 122.63 1um7 n ASN 68 Ca -0.14 0.45 -0.02 0.00 -0.11 0.00 0.00 54.58 54.75 1um7 n ASN 68 Cb 0.55 -0.94 0.01 0.00 1.24 0.00 0.00 39.78 40.64 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 0.51 3.09 8.20 0.00 -1.26 -4.88 105.19 110.41 1um7 n GLY 69 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.06 0.80 -0.43 1.61 0.11 0.24 -5.11 120.40 114.56 1um7 s VAL 70 Ca 0.05 -0.96 -0.22 0.00 -2.93 0.00 0.00 61.98 57.91 1um7 s VAL 70 Cb -0.01 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 1um7 s VAL 70 CO 0.11 -0.16 0.72 0.21 -3.33 0.00 0.00 175.10 172.66 1um7 s ASN 71 N -1.25 6.39 0.00 3.54 2.47 -1.26 -2.80 114.94 122.03 1um7 s ASN 71 Ca -0.03 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.11 1um7 s ASN 71 Cb -0.08 -2.36 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1um7 s ASN 71 CO 0.01 -0.83 0.57 0.18 -3.72 0.00 0.00 177.10 173.31 1um7 n LEU 72 N 6.48 1.08 -0.30 3.21 4.77 -1.12 -4.76 117.00 126.36 1um7 n LEU 72 Ca 0.01 -1.08 0.26 0.00 -0.03 0.00 0.00 56.01 55.16 1um7 n LEU 72 Cb 0.48 0.00 0.48 0.00 -2.33 0.00 0.00 43.42 42.05 1um7 n LEU 72 CO 0.56 0.27 0.92 0.54 -1.33 0.00 0.00 177.39 178.35 1um7 n ARG 73 N -0.13 -0.06 -2.67 3.23 1.74 -1.17 -0.04 116.66 117.56 1um7 n ARG 73 Ca 0.00 1.30 -0.19 0.00 -0.77 0.00 0.00 57.85 58.19 1um7 n ARG 73 Cb 0.12 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 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 -5.16 3.06 -4.75 0.55 3.02 -1.26 -3.52 115.26 107.21 1um7 n ASN 74 Ca 0.32 -3.26 -0.23 0.00 -0.03 0.00 0.00 54.58 51.38 1um7 n ASN 74 Cb 1.07 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 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 -3.26 3.50 0.52 5.41 0.00 0.94 -4.79 121.76 124.09 1um7 s ALA 75 Ca 0.39 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 1um7 s ALA 75 Cb 0.40 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 1um7 s ALA 75 CO -0.09 0.09 0.82 0.95 0.00 0.00 0.00 175.76 177.54 1um7 s THR 76 N -2.36 4.27 0.28 0.00 -4.23 -1.26 -4.05 115.64 108.29 1um7 s THR 76 Ca 0.37 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 1um7 s THR 76 Cb -0.04 -3.65 0.27 0.00 1.34 0.00 0.00 72.50 70.42 1um7 s THR 76 CO 0.23 -0.62 1.72 -0.74 -0.54 0.00 0.00 174.62 174.66 1um7 h HIS 77 N 0.08 0.66 0.15 3.99 2.76 -1.82 0.15 115.15 121.12 1um7 h HIS 77 Ca -0.46 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1um7 h HIS 77 Cb 1.23 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1um7 h HIS 77 CO 0.52 0.02 -0.07 1.49 -1.30 0.00 0.00 177.93 178.59 1um7 h GLU 78 N 0.46 -0.20 -0.51 5.26 4.81 -1.93 -1.83 114.58 120.64 1um7 h GLU 78 Ca 0.52 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.86 1um7 h GLU 78 Cb 0.91 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.25 1um7 h GLU 78 CO -0.47 0.02 -0.03 1.96 -0.73 0.00 0.00 179.01 179.75 1um7 h GLN 79 N -0.40 0.08 0.00 1.92 4.20 -1.42 1.44 115.11 120.94 1um7 h GLN 79 Ca -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1um7 h GLN 79 Cb 0.31 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1um7 h GLN 79 CO 0.03 0.05 -0.02 0.00 -0.67 0.00 0.00 178.83 178.23 1um7 h ALA 80 N 1.47 1.40 0.14 3.87 0.00 -0.68 0.12 119.26 125.59 1um7 h ALA 80 Ca 0.26 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.87 1um7 h ALA 80 Cb 0.39 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1um7 h ALA 80 CO -0.45 0.03 -1.35 0.00 0.00 0.00 0.00 179.25 177.47 1um7 h ALA 81 N 1.98 0.10 -0.16 0.00 0.00 0.14 -3.25 119.26 118.08 1um7 h ALA 81 Ca -0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 1um7 h ALA 81 Cb 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1um7 h ALA 81 CO 0.00 0.76 0.05 0.00 0.00 0.00 0.00 179.25 180.06 1um7 h ALA 82 N 0.01 1.80 0.00 0.00 0.00 0.26 0.37 119.26 121.70 1um7 h ALA 82 Ca -0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1um7 h ALA 82 Cb 1.82 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1um7 h ALA 82 CO 0.11 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1um7 h ALA 83 N 1.84 1.00 0.00 0.00 0.00 -0.88 -1.28 119.26 119.94 1um7 h ALA 83 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 1um7 h ALA 83 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1um7 h ALA 83 CO -0.00 0.00 -2.02 1.28 0.00 0.00 0.00 179.25 178.50 1um7 n LEU 84 N -2.31 0.44 0.14 0.00 4.77 0.11 -3.44 117.00 116.71 1um7 n LEU 84 Ca 0.03 0.21 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1um7 n LEU 84 Cb 0.28 0.32 0.35 0.00 -2.33 0.00 0.00 43.42 42.04 1um7 n LEU 84 CO 0.23 0.42 0.87 0.11 -1.33 0.00 0.00 177.39 177.68 1um7 h LYS 85 N 0.00 0.00 0.00 3.23 6.56 -0.55 -3.00 116.57 122.81 1um7 h LYS 85 Ca -0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1um7 h LYS 85 Cb 2.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.74 1um7 h LYS 85 CO 0.05 0.00 -1.07 2.89 -2.06 0.00 0.00 179.45 179.26 1um7 n ARG 86 N -2.52 0.56 0.00 3.15 1.85 -0.52 -4.87 116.66 114.31 1um7 n ARG 86 Ca 0.05 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1um7 n ARG 86 Cb 0.45 -1.76 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 1um7 n ARG 86 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1um7 n ALA 87 N -2.13 0.00 -2.00 2.89 0.00 -1.13 -5.09 120.51 113.05 1um7 n ALA 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1um7 n ALA 87 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 1.51 1.69 0.14 0.00 0.00 -1.26 -5.02 105.19 102.25 1um7 n GLY 88 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1um7 n GLY 88 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1um7 h GLN 89 N 0.00 0.43 -4.20 1.61 -0.00 -1.93 -3.42 115.11 107.60 1um7 h GLN 89 Ca 0.00 -0.73 -0.72 0.00 -0.00 0.00 0.00 58.65 57.20 1um7 h GLN 89 Cb 0.00 0.27 -0.31 0.00 -0.00 0.00 0.00 27.48 27.44 1um7 h GLN 89 CO 0.00 1.34 -0.39 -1.54 -0.00 0.00 0.00 178.83 178.25 1um7 s SER 90 N -7.35 5.62 -0.08 0.06 1.04 -1.26 -1.67 113.70 110.06 1um7 s SER 90 Ca -0.14 -2.13 -0.00 0.00 0.48 0.00 0.00 55.95 54.16 1um7 s SER 90 Cb 0.05 -1.96 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 1um7 s SER 90 CO 0.87 -0.61 -0.04 -0.69 0.98 0.00 0.00 173.24 173.75 1um7 s VAL 91 N 1.03 3.93 -0.50 5.02 1.01 -1.07 -4.99 120.40 124.84 1um7 s VAL 91 Ca 0.09 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1um7 s VAL 91 Cb -0.24 -2.63 0.12 0.00 0.00 0.00 0.00 36.38 33.64 1um7 s VAL 91 CO -0.02 0.60 0.41 -0.89 0.00 0.00 0.00 175.10 175.19 1um7 s THR 92 N -0.81 4.67 -0.36 3.92 2.01 -1.26 -1.74 115.64 122.08 1um7 s THR 92 Ca 0.12 -1.61 -0.13 0.00 0.31 0.00 0.00 61.69 60.38 1um7 s THR 92 Cb -0.11 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 1um7 s THR 92 CO 0.02 -0.79 0.26 -0.63 -0.69 0.00 0.00 174.62 172.79 1um7 s ILE 93 N 1.48 5.27 -0.50 1.82 1.09 0.50 0.65 121.20 131.52 1um7 s ILE 93 Ca 0.04 -0.29 -0.12 0.00 -1.10 0.00 0.00 60.65 59.18 1um7 s ILE 93 Cb -0.27 -3.77 0.12 0.00 -1.06 0.00 0.00 42.46 37.48 1um7 s ILE 93 CO 0.01 -0.08 0.41 -0.69 -0.10 0.00 0.00 174.94 174.49 1um7 s VAL 94 N 1.73 4.69 0.17 2.92 1.01 0.13 0.76 120.40 131.81 1um7 s VAL 94 Ca 0.06 -1.61 0.08 0.00 0.00 0.00 0.00 61.98 60.52 1um7 s VAL 94 Cb -0.18 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1um7 s VAL 94 CO 0.11 -0.79 -0.17 0.00 0.00 0.00 0.00 175.10 174.24 1um7 s ALA 95 N 1.48 1.99 -0.10 5.51 0.00 -1.08 0.12 121.76 129.69 1um7 s ALA 95 Ca 0.04 -1.52 0.03 0.00 0.00 0.00 0.00 51.96 50.51 1um7 s ALA 95 Cb -0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1um7 s ALA 95 CO 0.01 0.19 -0.20 1.14 0.00 0.00 0.00 175.76 176.90 1um7 s GLN 96 N -2.98 3.05 -0.69 0.00 -2.07 -0.76 -1.46 119.66 114.75 1um7 s GLN 96 Ca 0.17 -0.82 -0.26 0.00 -1.82 0.00 0.00 55.36 52.63 1um7 s GLN 96 Cb -0.05 -2.38 -0.11 0.00 -1.09 0.00 0.00 33.01 29.38 1um7 s GLN 96 CO 0.07 0.24 2.38 -0.47 -1.32 0.00 0.00 175.29 176.19 1um7 s TYR 97 N 0.21 1.15 -0.49 9.60 6.14 -1.26 -0.28 117.35 132.41 1um7 s TYR 97 Ca -0.13 1.77 0.03 0.00 0.64 0.00 0.00 57.07 59.39 1um7 s TYR 97 Cb -0.16 -3.52 0.16 0.00 0.42 0.00 0.00 41.96 38.85 1um7 s TYR 97 CO 0.07 -1.93 0.34 0.50 0.64 0.00 0.00 175.55 175.17 1um7 s ARG 98 N 8.56 1.40 0.39 4.97 6.06 -1.26 -4.53 118.95 134.54 1um7 s ARG 98 Ca 0.93 -2.35 0.21 0.00 -2.50 0.00 0.00 55.73 52.01 1um7 s ARG 98 Cb -0.14 -2.19 0.59 0.00 0.06 0.00 0.00 34.95 33.27 1um7 s ARG 98 CO 0.14 -1.29 1.68 -1.00 -2.50 0.00 0.00 175.30 172.34 1um7 h PRO 99 N 5.96 0.00 0.14 5.12 0.13 -1.88 -2.97 132.00 138.50 1um7 h PRO 99 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1um7 h PRO 99 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1um7 h PRO 99 CO 0.48 0.30 -0.08 1.49 -0.23 0.00 0.00 178.00 179.96 1um7 h GLU 100 N 0.00 -0.20 0.71 0.86 4.81 -1.91 -0.93 114.58 117.91 1um7 h GLU 100 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1um7 h GLU 100 Cb 0.98 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.41 1um7 h GLU 100 CO 0.04 -0.13 -0.34 0.93 -0.73 0.00 0.00 179.01 178.78 1um7 h GLU 101 N -0.21 -0.91 -1.56 1.92 4.39 -1.92 -2.92 114.58 113.37 1um7 h GLU 101 Ca -0.01 0.06 0.47 0.00 0.34 0.00 0.00 59.36 60.22 1um7 h GLU 101 Cb 0.17 0.21 -0.09 0.00 -0.10 0.00 0.00 28.75 28.94 1um7 h GLU 101 CO 0.01 -0.61 1.08 -0.92 -1.16 0.00 0.00 179.01 177.42 1um7 h TYR 102 N -1.20 0.21 -0.64 4.33 3.20 -1.54 1.53 116.97 122.85 1um7 h TYR 102 Ca -0.10 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.97 1um7 h TYR 102 Cb 0.73 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1um7 h TYR 102 CO 0.01 -0.07 0.54 1.03 -1.64 0.00 0.00 178.16 178.03 1um7 h SER 103 N 0.04 0.00 0.22 -2.11 0.87 -0.95 0.88 113.55 112.50 1um7 h SER 103 Ca 0.81 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.33 1um7 h SER 103 Cb 2.98 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.93 1um7 h SER 103 CO -0.17 0.00 -0.18 0.08 -0.53 0.00 0.00 176.83 176.03 1um7 h ARG 104 N 0.00 0.00 0.18 2.24 0.11 0.21 -2.76 114.38 114.35 1um7 h ARG 104 Ca 0.31 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 60.04 1um7 h ARG 104 Cb 1.39 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.47 1um7 h ARG 104 CO -0.00 0.18 -1.74 0.74 0.10 0.00 0.00 179.97 179.25 1um7 h PHE 105 N 0.00 0.68 -0.67 4.08 0.04 0.63 -3.28 116.94 118.42 1um7 h PHE 105 Ca -0.00 -0.50 0.14 0.00 2.80 0.00 0.00 57.97 60.41 1um7 h PHE 105 Cb 0.35 -0.03 -0.12 0.00 2.20 0.00 0.00 35.95 38.35 1um7 h PHE 105 CO 0.00 1.68 -0.07 0.93 -0.60 0.00 0.00 178.31 180.25 1um7 h GLU 106 N 0.06 0.06 0.77 1.51 4.39 -1.07 -1.48 114.58 118.82 1um7 h GLU 106 Ca -0.35 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.31 1um7 h GLU 106 Cb 2.06 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1um7 h GLU 106 CO 0.16 0.04 -0.40 1.03 -1.16 0.00 0.00 179.01 178.68 1um7 h SER 107 N 0.06 -0.95 -3.54 1.42 0.87 -1.65 -3.38 113.55 106.37 1um7 h SER 107 Ca 0.34 0.04 -0.71 0.00 -1.23 0.00 0.00 61.79 60.23 1um7 h SER 107 Cb 0.55 0.26 -0.28 0.00 -0.44 0.00 0.00 62.40 62.49 1um7 h SER 107 CO -0.63 -0.65 -0.52 -0.44 -0.53 0.00 0.00 176.83 174.06 1um7 s SER 108 N -4.26 5.56 0.52 6.23 0.01 -0.57 -5.05 113.70 116.14 1um7 s SER 108 Ca -0.18 -1.32 0.04 0.00 1.31 0.00 0.00 55.95 55.79 1um7 s SER 108 Cb 0.03 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.31 1um7 s SER 108 CO 0.61 -0.45 0.19 -0.83 0.41 0.00 0.00 173.24 173.18 1um7 s GLY 109 N 1.80 2.68 -1.23 3.44 0.00 -1.12 -4.49 107.32 108.41 1um7 s GLY 109 Ca 0.02 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.63 1um7 s GLY 109 CO 0.03 -2.06 1.86 -1.55 0.00 0.00 0.00 173.10 171.38 1um7 n PRO 110 N -1.48 2.38 -2.48 2.90 -0.04 -1.26 -4.28 135.00 130.74 1um7 n PRO 110 Ca -0.10 -2.80 -0.03 0.00 -0.04 0.00 0.00 63.50 60.53 1um7 n PRO 110 Cb 0.66 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 1um7 n PRO 110 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1um7 n SER 111 N 10.79 -6.58 -4.67 3.54 7.64 -1.26 -4.98 113.62 118.10 1um7 n SER 111 Ca 0.47 0.75 -0.30 0.00 1.01 0.00 0.00 58.87 60.80 1um7 n SER 111 Cb 0.45 -4.34 0.16 0.00 -1.01 0.00 0.00 64.21 59.48 1um7 n SER 111 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1um7 s SER 112 N -1.75 3.03 0.00 6.43 1.04 -1.26 -5.26 113.70 115.93 1um7 s SER 112 Ca 0.10 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.31 1um7 s SER 112 Cb -0.03 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1um7 s SER 112 CO 0.59 -2.96 0.00 0.61 0.98 0.00 0.00 173.24 172.46