#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 -0.97 0.35 1.61 1.04 -1.26 -5.17 113.70 109.31 1um7 s SER 2 Ca 0.00 0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.98 1um7 s SER 2 Cb 0.00 1.77 -0.07 0.00 0.10 0.00 0.00 66.02 67.82 1um7 s SER 2 CO 0.00 -0.18 0.02 -0.94 0.98 0.00 0.00 173.24 173.12 1um7 s SER 3 N 2.90 3.01 -0.10 7.02 1.04 -1.26 -5.16 113.70 121.15 1um7 s SER 3 Ca 0.12 -1.35 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 1um7 s SER 3 Cb -0.11 -0.22 0.11 0.00 0.10 0.00 0.00 66.02 65.89 1um7 s SER 3 CO -0.18 -0.51 0.88 -0.83 0.98 0.00 0.00 173.24 173.58 1um7 s GLY 4 N -3.57 -0.39 0.12 7.32 0.00 -1.26 -5.18 107.32 104.36 1um7 s GLY 4 Ca 0.35 1.67 -0.19 0.00 0.00 0.00 0.00 44.72 46.55 1um7 s GLY 4 CO 0.16 0.91 0.47 -0.45 0.00 0.00 0.00 173.10 174.19 1um7 s SER 5 N -1.33 -0.36 -0.25 1.64 0.15 -1.26 -5.18 113.70 107.12 1um7 s SER 5 Ca -0.04 -0.14 -0.29 0.00 0.70 0.00 0.00 55.95 56.18 1um7 s SER 5 Cb -0.00 0.51 0.17 0.00 -1.71 0.00 0.00 66.02 64.98 1um7 s SER 5 CO 0.02 -0.86 1.24 -0.94 1.20 0.00 0.00 173.24 173.91 1um7 s SER 6 N -2.63 -0.16 0.00 5.45 1.04 -1.26 -5.19 113.70 110.95 1um7 s SER 6 Ca 0.01 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1um7 s SER 6 Cb 0.01 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1um7 s SER 6 CO -0.10 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1um7 n GLY 7 N 0.81 -0.98 2.89 7.32 0.00 -1.26 -5.17 105.19 108.81 1um7 n GLY 7 Ca -0.05 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.74 1um7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1um7 s ARG 8 N -2.00 0.34 0.26 1.61 3.00 -1.26 -5.16 118.95 115.75 1um7 s ARG 8 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 55.73 55.62 1um7 s ARG 8 Cb 0.00 -0.39 0.06 0.00 0.00 0.00 0.00 34.95 34.63 1um7 s ARG 8 CO 0.00 0.00 0.29 -0.35 0.00 0.00 0.00 175.30 175.24 1um7 n PRO 9 N 3.42 -0.92 0.00 3.54 -0.04 -1.26 -5.11 135.00 134.64 1um7 n PRO 9 Ca -0.18 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1um7 n PRO 9 Cb 0.55 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 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 1.83 2.63 0.00 0.55 0.00 -1.26 -5.19 105.19 103.75 1um7 n GLY 10 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.53 4.47 1.75 -0.02 0.00 -1.26 -4.94 105.19 104.66 1um7 n GLY 11 Ca 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 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 4.76 -2.41 1.61 8.00 -1.26 -4.93 116.55 122.32 1um7 n ASP 12 Ca 0.00 -3.16 -0.01 0.00 0.71 0.00 0.00 54.79 52.33 1um7 n ASP 12 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.10 -2.24 0.00 2.24 0.00 -1.26 -5.00 120.51 114.15 1um7 n ALA 13 Ca 0.34 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1um7 n ALA 13 Cb 1.25 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.29 0.00 -1.80 0.00 3.00 -1.26 -4.76 116.66 110.55 1um7 n ARG 14 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.56 1um7 n ARG 14 Cb 0.46 -0.13 0.15 0.00 0.00 0.00 0.00 32.46 32.94 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 -1.82 1.06 0.63 5.56 2.02 -1.26 -4.20 118.70 120.69 1um7 s GLU 15 Ca 0.00 -0.09 -0.14 0.00 0.02 0.00 0.00 54.97 54.76 1um7 s GLU 15 Cb 0.00 -1.86 -0.02 0.00 0.10 0.00 0.00 34.13 32.34 1um7 s GLU 15 CO 0.00 -2.18 1.05 -1.25 0.02 0.00 0.00 175.26 172.90 1um7 s PRO 16 N -5.65 3.22 0.32 0.39 0.04 -1.26 -4.10 135.00 127.96 1um7 s PRO 16 Ca 0.68 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1um7 s PRO 16 Cb -0.08 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1um7 s PRO 16 CO 0.52 -0.88 0.34 2.89 0.04 0.00 0.00 177.00 179.91 1um7 n ARG 17 N -2.44 0.49 -3.77 4.56 1.85 -0.43 -4.95 116.66 111.98 1um7 n ARG 17 Ca 0.08 -3.02 -0.36 0.00 -1.00 0.00 0.00 57.85 53.55 1um7 n ARG 17 Cb 0.53 2.61 -0.13 0.00 -1.05 0.00 0.00 32.46 34.43 1um7 n ARG 17 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1um7 s LYS 18 N -3.11 3.50 -0.27 2.89 2.20 -1.26 -3.13 119.74 120.56 1um7 s LYS 18 Ca 0.35 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.40 1um7 s LYS 18 Cb 0.01 -3.30 0.07 0.00 -1.51 0.00 0.00 37.83 33.10 1um7 s LYS 18 CO 0.25 -0.25 -0.07 0.42 -0.36 0.00 0.00 175.35 175.34 1um7 s ILE 19 N 1.57 1.99 -0.60 5.43 1.01 0.21 -4.98 121.20 125.83 1um7 s ILE 19 Ca 0.06 -1.64 -0.21 0.00 0.00 0.00 0.00 60.65 58.86 1um7 s ILE 19 Cb -0.15 -2.21 0.07 0.00 0.01 0.00 0.00 42.46 40.18 1um7 s ILE 19 CO 0.02 -0.15 0.83 -0.63 0.00 0.00 0.00 174.94 175.01 1um7 s ILE 20 N 1.16 4.57 -0.09 2.92 1.01 -1.26 0.17 121.20 129.67 1um7 s ILE 20 Ca -0.05 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 1um7 s ILE 20 Cb -0.19 -4.55 -0.05 0.00 0.01 0.00 0.00 42.46 37.68 1um7 s ILE 20 CO -0.06 -1.21 0.31 -0.76 0.00 0.00 0.00 174.94 173.22 1um7 s LEU 21 N 3.41 4.36 -0.60 2.97 2.01 0.05 -4.92 118.68 125.96 1um7 s LEU 21 Ca 0.19 0.69 -0.06 0.00 0.01 0.00 0.00 54.13 54.96 1um7 s LEU 21 Cb -0.19 -2.41 0.16 0.00 0.01 0.00 0.00 46.19 43.76 1um7 s LEU 21 CO 0.10 0.25 0.44 -1.00 1.01 0.00 0.00 176.35 177.15 1um7 s HIS 22 N -0.43 3.49 -0.45 0.29 3.76 -1.25 -1.78 115.29 118.92 1um7 s HIS 22 Ca 0.19 -2.41 -0.37 0.00 -0.15 0.00 0.00 55.06 52.32 1um7 s HIS 22 Cb -0.14 -3.36 -0.16 0.00 1.11 0.00 0.00 32.58 30.03 1um7 s HIS 22 CO 0.08 -0.91 1.86 1.63 -0.85 0.00 0.00 174.74 176.54 1um7 n LYS 23 N 3.96 0.00 0.00 1.40 5.02 -0.55 -4.61 118.16 123.38 1um7 n LYS 23 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1um7 n LYS 23 Cb 0.40 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 6.39 -0.40 3.01 0.72 0.00 -0.76 -4.65 105.19 109.50 1um7 n GLY 24 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.99 5.15 -2.42 1.61 7.64 -1.26 -4.73 113.62 117.63 1um7 n SER 25 Ca 0.00 -3.26 -0.07 0.00 1.01 0.00 0.00 58.87 56.55 1um7 n SER 25 Cb 0.00 -1.13 -0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1um7 n SER 25 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1um7 n THR 26 N 1.80 -0.30 -3.60 0.44 -2.24 -1.26 -4.86 114.28 104.25 1um7 n THR 26 Ca 0.25 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.88 1um7 n THR 26 Cb 0.37 -0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 67.60 1um7 n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1um7 s GLY 27 N -2.00 -0.41 0.00 3.38 0.00 -1.26 -5.02 107.32 102.01 1um7 s GLY 27 Ca 0.00 0.80 0.28 0.00 0.00 0.00 0.00 44.72 45.80 1um7 s GLY 27 CO 0.00 0.50 1.75 1.04 0.00 0.00 0.00 173.10 176.39 1um7 n LEU 28 N 0.83 0.23 -0.02 0.66 4.77 -1.26 -1.83 117.00 120.38 1um7 n LEU 28 Ca -0.19 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1um7 n LEU 28 Cb 0.58 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1um7 n LEU 28 CO 0.22 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1um7 n GLY 29 N 1.47 0.65 3.61 -0.72 0.00 -1.26 -1.83 105.19 107.11 1um7 n GLY 29 Ca 0.08 -0.74 -0.10 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 -2.04 -0.46 0.62 1.61 -0.12 -1.26 0.16 117.98 116.49 1um7 s PHE 30 Ca 0.00 1.01 0.04 0.00 -0.05 0.00 0.00 56.93 57.93 1um7 s PHE 30 Cb 0.00 0.39 0.09 0.00 -0.63 0.00 0.00 43.02 42.87 1um7 s PHE 30 CO 0.00 -0.29 0.85 1.21 -0.05 0.00 0.00 175.22 176.94 1um7 s ASN 31 N -0.27 4.87 0.06 1.98 3.84 0.93 -4.94 114.94 121.41 1um7 s ASN 31 Ca 0.01 -0.50 0.01 0.00 0.21 0.00 0.00 52.86 52.59 1um7 s ASN 31 Cb -0.03 -0.08 -0.03 0.00 -0.55 0.00 0.00 41.25 40.56 1um7 s ASN 31 CO -0.03 -1.47 -0.06 0.27 -2.79 0.00 0.00 177.10 173.02 1um7 s ILE 32 N -2.84 0.50 0.31 -5.21 -4.36 -1.26 -2.56 121.20 105.78 1um7 s ILE 32 Ca 0.62 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.65 1um7 s ILE 32 Cb -0.07 -1.00 -0.03 0.00 1.25 0.00 0.00 42.46 42.62 1um7 s ILE 32 CO 0.40 -0.62 0.29 0.68 0.24 0.00 0.00 174.94 175.93 1um7 s VAL 33 N -2.38 0.00 0.00 8.37 -7.23 0.52 -4.54 120.40 115.14 1um7 s VAL 33 Ca -0.02 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1um7 s VAL 33 Cb -0.03 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1um7 s VAL 33 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1um7 n GLY 34 N -0.56 -1.09 0.00 2.32 0.00 -1.26 -1.60 105.19 103.00 1um7 n GLY 34 Ca 0.06 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 1.80 3.05 -0.02 0.00 -1.26 -3.89 105.19 104.87 1um7 n GLY 35 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.55 2.50 -0.56 1.61 2.02 -1.26 -4.69 118.70 117.76 1um7 s GLU 36 Ca 0.00 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.22 1um7 s GLU 36 Cb 0.00 -2.33 0.06 0.00 0.10 0.00 0.00 34.13 31.96 1um7 s GLU 36 CO 0.00 -0.26 0.17 -0.25 0.02 0.00 0.00 175.26 174.94 1um7 n ASP 37 N 4.70 -1.49 -3.58 -0.19 8.00 -1.26 0.12 116.55 122.85 1um7 n ASP 37 Ca -0.18 0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.15 1um7 n ASP 37 Cb 0.49 -1.37 0.05 0.00 -0.02 0.00 0.00 41.12 40.28 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 -0.68 -0.45 0.00 0.44 0.00 -1.26 -4.86 105.19 98.38 1um7 n GLY 38 Ca 0.02 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1um7 n GLY 38 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1um7 n GLU 39 N -4.12 0.00 0.00 1.61 -0.00 0.33 -4.76 120.64 113.70 1um7 n GLU 39 Ca -0.26 0.07 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 1um7 n GLU 39 Cb 0.66 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.60 1um7 n GLU 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1um7 n GLY 40 N 1.09 2.44 3.79 -1.84 0.00 -1.25 -5.02 105.19 104.41 1um7 n GLY 40 Ca 0.06 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.10 5.14 0.23 -0.61 -1.09 -1.26 -4.26 121.20 117.24 1um7 s ILE 41 Ca 0.00 0.78 0.02 0.00 -2.23 0.00 0.00 60.65 59.22 1um7 s ILE 41 Cb 0.00 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1um7 s ILE 41 CO 0.00 0.49 0.04 -0.36 -1.23 0.00 0.00 174.94 173.88 1um7 s PHE 42 N -0.40 1.45 -0.10 3.97 0.40 -0.63 0.11 117.98 122.79 1um7 s PHE 42 Ca 0.22 -1.05 -0.25 0.00 -0.60 0.00 0.00 56.93 55.26 1um7 s PHE 42 Cb -0.15 -0.85 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1um7 s PHE 42 CO 0.10 -0.20 0.78 0.08 0.70 0.00 0.00 175.22 176.68 1um7 s VAL 43 N -3.62 4.96 0.01 -0.44 1.01 -0.51 0.19 120.40 122.01 1um7 s VAL 43 Ca 0.31 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.86 1um7 s VAL 43 Cb 0.07 -4.10 -0.26 0.00 0.00 0.00 0.00 36.38 32.08 1um7 s VAL 43 CO 0.09 0.15 0.87 0.77 0.00 0.00 0.00 175.10 176.98 1um7 h SER 44 N 7.01 0.28 -5.06 3.32 4.64 -1.73 -3.27 113.55 118.74 1um7 h SER 44 Ca -0.36 -0.41 0.10 0.00 -0.47 0.00 0.00 61.79 60.65 1um7 h SER 44 Cb 1.17 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 63.08 1um7 h SER 44 CO 0.78 1.34 0.36 0.12 -0.87 0.00 0.00 176.83 178.56 1um7 s PHE 45 N -2.62 -0.25 -0.06 4.77 5.36 -1.26 -4.91 117.98 119.00 1um7 s PHE 45 Ca -0.07 -0.05 0.00 0.00 -0.96 0.00 0.00 56.93 55.84 1um7 s PHE 45 Cb 0.07 0.63 0.02 0.00 -0.34 0.00 0.00 43.02 43.41 1um7 s PHE 45 CO 0.84 -0.91 -0.04 0.42 -1.46 0.00 0.00 175.22 174.07 1um7 s ILE 46 N -3.53 0.57 0.30 3.12 -1.09 -1.26 -0.05 121.20 119.26 1um7 s ILE 46 Ca 0.09 -0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 1um7 s ILE 46 Cb -0.03 -0.63 -0.10 0.00 -1.58 0.00 0.00 42.46 40.13 1um7 s ILE 46 CO -0.01 0.25 1.24 -0.22 -1.23 0.00 0.00 174.94 174.98 1um7 s LEU 47 N 1.24 4.47 -0.53 2.97 1.98 0.43 -4.92 118.68 124.32 1um7 s LEU 47 Ca -0.06 2.53 -0.24 0.00 -2.89 0.00 0.00 54.13 53.48 1um7 s LEU 47 Cb -0.14 -3.64 0.04 0.00 0.66 0.00 0.00 46.19 43.11 1um7 s LEU 47 CO -0.02 -0.41 0.89 0.00 -1.89 0.00 0.00 176.35 174.92 1um7 s ALA 48 N -1.02 3.21 0.00 5.97 0.00 -1.26 -3.26 121.76 125.40 1um7 s ALA 48 Ca 0.48 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1um7 s ALA 48 Cb -0.37 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1um7 s ALA 48 CO 0.48 -2.27 0.00 0.41 0.00 0.00 0.00 175.76 174.38 1um7 n GLY 49 N 5.09 1.52 1.17 0.00 0.00 -1.26 -5.07 105.19 106.65 1um7 n GLY 49 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.41 -1.79 0.16 -0.02 0.00 -1.20 -4.56 105.19 97.36 1um7 n GLY 50 Ca 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 0.36 0.00 1.61 0.13 -1.81 1.48 132.00 133.76 1um7 h PRO 51 Ca -0.13 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1um7 h PRO 51 Cb 0.38 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1um7 h PRO 51 CO 0.09 1.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.88 1um7 h ALA 52 N 0.87 1.00 0.00 -0.56 0.00 -1.57 0.83 119.26 119.83 1um7 h ALA 52 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1um7 h ALA 52 Cb 1.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1um7 h ALA 52 CO 0.14 0.00 -1.48 -3.47 0.00 0.00 0.00 179.25 174.44 1um7 n ASP 53 N -2.53 1.43 0.05 0.00 2.03 -1.09 -3.45 116.55 113.00 1um7 n ASP 53 Ca 0.01 0.24 -0.11 0.00 0.52 0.00 0.00 54.79 55.45 1um7 n ASP 53 Cb 0.22 -0.56 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 1um7 n ASP 53 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1um7 h LEU 54 N -0.65 -0.72 -1.52 -2.67 3.38 0.20 0.33 115.31 113.66 1um7 h LEU 54 Ca -0.28 0.10 0.48 0.00 0.09 0.00 0.00 57.88 58.27 1um7 h LEU 54 Cb 1.11 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 1um7 h LEU 54 CO -0.17 -0.31 1.04 -1.54 0.09 0.00 0.00 178.44 177.56 1um7 n SER 55 N -5.36 0.10 -1.12 -0.43 3.41 0.28 -4.71 113.62 105.78 1um7 n SER 55 Ca -0.04 1.09 -0.09 0.00 -0.26 0.00 0.00 58.87 59.56 1um7 n SER 55 Cb 0.28 -0.54 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1um7 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1um7 n GLY 56 N -1.65 0.01 1.40 5.00 0.00 0.10 -4.89 105.19 105.16 1um7 n GLY 56 Ca 0.39 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.94 0.00 -1.66 1.61 -0.58 -1.26 -5.07 120.64 111.74 1um7 n GLU 57 Ca -0.10 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.25 1um7 n GLU 57 Cb 0.58 -0.18 0.04 0.00 -0.57 0.00 0.00 31.44 31.31 1um7 n GLU 57 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1um7 n LEU 58 N -3.07 4.03 -3.86 -4.62 0.00 -1.22 -5.01 117.00 103.25 1um7 n LEU 58 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 56.01 56.83 1um7 n LEU 58 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 43.42 41.88 1um7 n LEU 58 CO 0.00 -1.30 -0.13 -0.13 0.00 0.00 0.00 177.39 175.83 1um7 s ARG 59 N -2.59 0.59 -0.76 1.96 0.52 -1.26 -4.64 118.95 112.77 1um7 s ARG 59 Ca 0.71 -0.50 -0.26 0.00 -0.52 0.00 0.00 55.73 55.16 1um7 s ARG 59 Cb -0.45 0.24 -0.02 0.00 0.52 0.00 0.00 34.95 35.24 1um7 s ARG 59 CO 0.51 -0.15 1.79 0.50 0.02 0.00 0.00 175.30 177.96 1um7 s ARG 60 N -1.93 2.75 0.00 3.54 3.52 -1.26 -2.21 118.95 123.35 1um7 s ARG 60 Ca -0.10 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 1um7 s ARG 60 Cb -0.04 -4.67 0.00 0.00 -1.56 0.00 0.00 34.95 28.68 1um7 s ARG 60 CO -0.01 -2.84 0.00 0.41 -0.81 0.00 0.00 175.30 172.05 1um7 n GLY 61 N 6.15 0.80 3.50 8.12 0.00 -1.24 -5.01 105.19 117.52 1um7 n GLY 61 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.26 -4.23 1.61 9.92 -0.94 -3.90 116.55 117.75 1um7 n ASP 62 Ca 0.00 0.34 -0.36 0.00 -0.53 0.00 0.00 54.79 54.25 1um7 n ASP 62 Cb 0.00 -1.30 -0.13 0.00 -0.64 0.00 0.00 41.12 39.05 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 -3.99 2.68 0.27 -1.24 3.52 -0.17 -1.42 118.95 118.61 1um7 s ARG 63 Ca 0.60 -1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 1um7 s ARG 63 Cb -0.22 -3.23 -0.11 0.00 -1.56 0.00 0.00 34.95 29.84 1um7 s ARG 63 CO 0.64 -0.55 1.58 0.42 -0.81 0.00 0.00 175.30 176.58 1um7 s ILE 64 N 1.34 2.19 -0.06 4.11 -1.09 0.31 -1.76 121.20 126.24 1um7 s ILE 64 Ca -0.02 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.50 1um7 s ILE 64 Cb -0.18 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 1um7 s ILE 64 CO -0.00 0.02 -0.14 0.18 -1.23 0.00 0.00 174.94 173.77 1um7 n LEU 65 N 2.45 1.09 -4.17 2.97 4.77 -0.02 -4.01 117.00 120.09 1um7 n LEU 65 Ca 0.09 0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1um7 n LEU 65 Cb 0.38 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1um7 n LEU 65 CO 0.63 -0.14 -0.39 -0.94 -1.33 0.00 0.00 177.39 175.22 1um7 s SER 66 N -5.98 1.16 -0.32 -1.43 1.04 -1.18 0.11 113.70 107.11 1um7 s SER 66 Ca -0.14 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.34 1um7 s SER 66 Cb 0.04 0.09 0.09 0.00 0.10 0.00 0.00 66.02 66.34 1um7 s SER 66 CO 0.18 -0.45 0.01 -0.69 0.98 0.00 0.00 173.24 173.27 1um7 s VAL 67 N -3.52 2.27 0.00 5.02 1.01 -1.24 -2.92 120.40 121.02 1um7 s VAL 67 Ca 0.11 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 59.95 1um7 s VAL 67 Cb 0.05 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1um7 s VAL 67 CO -0.04 -0.44 0.00 -3.20 0.00 0.00 0.00 175.10 171.42 1um7 n ASN 68 N 4.31 0.00 0.00 3.32 2.85 0.38 -1.80 115.26 124.32 1um7 n ASN 68 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1um7 n ASN 68 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 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 0.00 0.01 0.28 8.20 0.00 -1.26 -4.58 105.19 107.83 1um7 n GLY 69 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1um7 n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1um7 n VAL 70 N 0.00 0.00 -3.86 1.61 0.24 -0.75 -4.98 118.33 110.60 1um7 n VAL 70 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.03 1um7 n VAL 70 Cb 0.00 -0.06 -0.17 0.00 -1.47 0.00 0.00 33.84 32.14 1um7 n VAL 70 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1um7 s ASN 71 N -1.72 2.49 -0.28 -1.34 2.47 -1.26 -3.65 114.94 111.65 1um7 s ASN 71 Ca 0.04 -0.50 0.14 0.00 0.42 0.00 0.00 52.86 52.96 1um7 s ASN 71 Cb -0.01 -0.79 0.48 0.00 -1.45 0.00 0.00 41.25 39.48 1um7 s ASN 71 CO 0.03 -0.18 1.15 0.18 -3.72 0.00 0.00 177.10 174.56 1um7 n LEU 72 N 4.95 3.43 0.07 3.21 4.77 0.31 -4.67 117.00 129.06 1um7 n LEU 72 Ca -0.11 -4.00 -0.02 0.00 -0.03 0.00 0.00 56.01 51.85 1um7 n LEU 72 Cb 0.49 0.02 0.22 0.00 -2.33 0.00 0.00 43.42 41.82 1um7 n LEU 72 CO 0.15 1.64 0.68 0.03 -1.33 0.00 0.00 177.39 178.56 1um7 h ARG 73 N 2.38 0.32 0.00 3.23 3.08 -1.64 -3.33 114.38 118.42 1um7 h ARG 73 Ca 0.14 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1um7 h ARG 73 Cb 1.41 -0.01 -0.18 0.00 0.08 0.00 0.00 29.97 31.27 1um7 h ARG 73 CO 0.51 0.63 -0.61 0.09 -1.07 0.00 0.00 179.97 179.52 1um7 n ASN 74 N -4.07 0.22 -4.79 7.04 4.13 -1.26 -3.92 115.26 112.61 1um7 n ASN 74 Ca -0.01 -1.87 -0.31 0.00 1.68 0.00 0.00 54.58 54.07 1um7 n ASN 74 Cb 0.44 -0.13 0.08 0.00 -1.54 0.00 0.00 39.78 38.64 1um7 n ASN 74 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1um7 s ALA 75 N 0.00 2.31 0.48 5.41 0.00 -1.25 -4.41 121.76 124.30 1um7 s ALA 75 Ca 0.13 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1um7 s ALA 75 Cb 0.15 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.00 1um7 s ALA 75 CO -0.07 -1.64 0.95 0.95 0.00 0.00 0.00 175.76 175.95 1um7 s THR 76 N -3.01 4.53 0.28 0.00 -4.23 -1.26 -4.16 115.64 107.78 1um7 s THR 76 Ca 0.60 1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 62.29 1um7 s THR 76 Cb -0.16 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.35 1um7 s THR 76 CO 0.55 -0.57 1.60 -0.74 -0.54 0.00 0.00 174.62 174.92 1um7 h HIS 77 N 1.21 -0.09 0.59 3.99 2.76 -1.84 0.62 115.15 122.40 1um7 h HIS 77 Ca -0.47 0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 57.73 1um7 h HIS 77 Cb 1.18 0.18 0.01 0.00 1.55 0.00 0.00 27.41 30.33 1um7 h HIS 77 CO 0.63 -0.34 -0.28 1.49 -1.30 0.00 0.00 177.93 178.13 1um7 h GLU 78 N 0.06 -0.76 -0.66 5.26 4.81 -1.92 0.41 114.58 121.79 1um7 h GLU 78 Ca 0.50 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.92 1um7 h GLU 78 Cb 0.94 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.39 1um7 h GLU 78 CO -0.81 -0.47 0.04 1.96 -0.73 0.00 0.00 179.01 179.01 1um7 h GLN 79 N -0.91 0.14 -0.46 1.92 4.20 -1.21 1.27 115.11 120.06 1um7 h GLN 79 Ca -0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1um7 h GLN 79 Cb 0.65 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1um7 h GLN 79 CO 0.13 0.10 0.18 0.00 -0.67 0.00 0.00 178.83 178.57 1um7 h ALA 80 N 1.59 1.46 -0.16 3.87 0.00 0.26 -2.14 119.26 124.13 1um7 h ALA 80 Ca 0.35 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1um7 h ALA 80 Cb 0.58 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1um7 h ALA 80 CO -0.54 0.42 -0.28 0.00 0.00 0.00 0.00 179.25 178.85 1um7 h ALA 81 N 1.55 0.26 0.00 0.00 0.00 0.24 -2.57 119.26 118.74 1um7 h ALA 81 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1um7 h ALA 81 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1um7 h ALA 81 CO -0.02 0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.67 1um7 h ALA 82 N 0.58 1.17 0.00 0.00 0.00 0.19 0.85 119.26 122.04 1um7 h ALA 82 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 1um7 h ALA 82 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1um7 h ALA 82 CO 0.06 -0.17 -1.08 0.00 0.00 0.00 0.00 179.25 178.07 1um7 h ALA 83 N 1.65 0.46 0.00 0.00 0.00 -1.00 -2.92 119.26 117.45 1um7 h ALA 83 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1um7 h ALA 83 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1um7 h ALA 83 CO 0.00 1.23 -0.26 -0.07 0.00 0.00 0.00 179.25 180.15 1um7 h LEU 84 N 0.00 0.00 0.00 0.00 -0.00 0.77 -2.30 115.31 113.78 1um7 h LEU 84 Ca -0.06 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.62 1um7 h LEU 84 Cb 1.77 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.40 1um7 h LEU 84 CO 0.11 0.01 -0.91 0.11 -0.00 0.00 0.00 178.44 177.76 1um7 h LYS 85 N 0.00 0.00 -0.01 1.13 6.56 -0.98 -3.16 116.57 120.11 1um7 h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1um7 h LYS 85 Cb 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.61 1um7 h LYS 85 CO 0.00 0.82 -0.52 2.89 -2.06 0.00 0.00 179.45 180.58 1um7 n ARG 86 N -3.29 0.46 -2.65 3.15 -4.01 -1.11 -4.85 116.66 104.37 1um7 n ARG 86 Ca -0.00 -0.32 -0.43 0.00 -1.04 0.00 0.00 57.85 56.05 1um7 n ARG 86 Cb 0.89 -1.49 -0.02 0.00 -3.04 0.00 0.00 32.46 28.79 1um7 n ARG 86 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1um7 s ALA 87 N -2.76 3.56 0.00 2.89 0.00 -0.87 -5.02 121.76 119.56 1um7 s ALA 87 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1um7 s ALA 87 Cb 0.18 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1um7 s ALA 87 CO 0.66 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1um7 n GLY 88 N 3.70 -2.99 0.09 0.00 0.00 -1.26 -4.94 105.19 99.78 1um7 n GLY 88 Ca 0.12 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -4.77 1.61 4.20 -1.92 -3.44 115.11 110.79 1um7 h GLN 89 Ca 0.00 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.01 1um7 h GLN 89 Cb 0.00 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 27.59 1um7 h GLN 89 CO 0.00 0.73 0.34 -1.54 -0.67 0.00 0.00 178.83 177.69 1um7 s SER 90 N -6.54 6.36 -0.08 1.46 1.04 -1.26 -1.49 113.70 113.19 1um7 s SER 90 Ca -0.25 -1.67 0.02 0.00 0.48 0.00 0.00 55.95 54.54 1um7 s SER 90 Cb 0.05 -2.33 -0.02 0.00 0.10 0.00 0.00 66.02 63.82 1um7 s SER 90 CO 0.49 -1.09 -0.14 -0.69 0.98 0.00 0.00 173.24 172.79 1um7 s VAL 91 N 2.58 3.02 -0.59 5.02 1.01 -0.73 -4.99 120.40 125.72 1um7 s VAL 91 Ca 0.19 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1um7 s VAL 91 Cb -0.17 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.10 1um7 s VAL 91 CO 0.01 0.57 0.71 -0.89 0.00 0.00 0.00 175.10 175.50 1um7 s THR 92 N -0.33 4.79 -0.37 3.92 2.01 -1.26 -0.77 115.64 123.63 1um7 s THR 92 Ca 0.03 -0.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.94 1um7 s THR 92 Cb -0.13 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 67.91 1um7 s THR 92 CO 0.02 -1.11 0.60 -0.63 -0.69 0.00 0.00 174.62 172.81 1um7 s ILE 93 N 2.78 4.92 -0.53 1.82 1.09 0.44 -0.47 121.20 131.25 1um7 s ILE 93 Ca 0.13 0.41 -0.16 0.00 -1.10 0.00 0.00 60.65 59.93 1um7 s ILE 93 Cb -0.23 -4.07 0.11 0.00 -1.06 0.00 0.00 42.46 37.22 1um7 s ILE 93 CO 0.07 -0.34 0.49 -0.69 -0.10 0.00 0.00 174.94 174.37 1um7 s VAL 94 N 2.63 5.19 0.32 2.92 1.01 -1.15 -0.62 120.40 130.70 1um7 s VAL 94 Ca 0.22 -1.36 0.09 0.00 0.00 0.00 0.00 61.98 60.93 1um7 s VAL 94 Cb -0.15 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.87 1um7 s VAL 94 CO 0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 175.10 174.34 1um7 s ALA 95 N 1.68 2.76 -0.12 5.51 0.00 -1.18 -0.84 121.76 129.57 1um7 s ALA 95 Ca 0.04 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1um7 s ALA 95 Cb -0.28 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1um7 s ALA 95 CO 0.04 0.06 -0.11 1.14 0.00 0.00 0.00 175.76 176.89 1um7 s GLN 96 N -3.63 1.87 -0.85 0.00 -2.07 -0.72 -1.31 119.66 112.95 1um7 s GLN 96 Ca 0.31 -0.40 -0.21 0.00 -1.82 0.00 0.00 55.36 53.25 1um7 s GLN 96 Cb 0.02 -1.79 -0.20 0.00 -1.09 0.00 0.00 33.01 29.95 1um7 s GLN 96 CO 0.15 -0.23 2.34 0.98 -1.32 0.00 0.00 175.29 177.22 1um7 n TYR 97 N 4.76 0.82 -3.70 9.60 4.19 -1.26 -1.00 117.16 130.58 1um7 n TYR 97 Ca -0.15 -0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.77 1um7 n TYR 97 Cb 0.50 -1.99 -0.12 0.00 0.49 0.00 0.00 39.34 38.23 1um7 n TYR 97 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 1um7 s ARG 98 N 8.34 1.70 0.11 2.98 1.81 -1.25 -4.48 118.95 128.14 1um7 s ARG 98 Ca 1.06 -2.64 -0.09 0.00 -1.72 0.00 0.00 55.73 52.34 1um7 s ARG 98 Cb -0.37 -2.55 -0.14 0.00 -0.45 0.00 0.00 34.95 31.45 1um7 s ARG 98 CO 0.24 -1.28 1.28 -1.00 -0.68 0.00 0.00 175.30 173.86 1um7 h PRO 99 N 5.81 0.61 -0.27 3.54 0.13 -1.87 -2.90 132.00 137.05 1um7 h PRO 99 Ca 0.14 -0.59 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 1um7 h PRO 99 Cb 0.85 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1um7 h PRO 99 CO 0.56 1.21 0.58 1.49 -0.23 0.00 0.00 178.00 181.60 1um7 h GLU 100 N 0.37 0.00 0.05 0.86 4.81 -1.91 1.56 114.58 120.33 1um7 h GLU 100 Ca -0.08 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.79 1um7 h GLU 100 Cb 1.54 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.89 1um7 h GLU 100 CO 0.17 0.00 -2.01 0.39 -0.73 0.00 0.00 179.01 176.84 1um7 n GLU 101 N -3.16 0.67 0.26 1.92 -0.58 -1.17 -4.18 120.64 114.41 1um7 n GLU 101 Ca 0.05 0.31 0.15 0.00 -0.42 0.00 0.00 57.16 57.25 1um7 n GLU 101 Cb 0.69 -1.65 0.62 0.00 -0.57 0.00 0.00 31.44 30.54 1um7 n GLU 101 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 1um7 h TYR 102 N -0.34 0.00 -0.98 -0.32 3.20 -0.42 -3.23 116.97 114.88 1um7 h TYR 102 Ca -0.48 0.00 0.18 0.00 3.14 0.00 0.00 58.73 61.57 1um7 h TYR 102 Cb 1.78 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 39.87 1um7 h TYR 102 CO 0.05 0.05 -0.31 0.66 -1.64 0.00 0.00 178.16 176.97 1um7 h SER 103 N 0.00 -1.15 -0.67 -2.11 4.64 0.19 0.59 113.55 115.03 1um7 h SER 103 Ca -0.00 0.30 0.12 0.00 -0.47 0.00 0.00 61.79 61.74 1um7 h SER 103 Cb 0.58 0.68 -0.12 0.00 -0.31 0.00 0.00 62.40 63.22 1um7 h SER 103 CO 0.01 -0.31 -0.34 0.03 -0.87 0.00 0.00 176.83 175.35 1um7 h ARG 104 N -0.00 -0.12 -0.59 4.77 3.08 -1.82 0.16 114.38 119.85 1um7 h ARG 104 Ca 0.41 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.41 1um7 h ARG 104 Cb 0.66 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1um7 h ARG 104 CO -1.00 -0.08 0.12 0.74 -1.07 0.00 0.00 179.97 178.69 1um7 h PHE 105 N -0.13 1.02 -0.80 3.04 0.04 -0.25 -3.02 116.94 116.84 1um7 h PHE 105 Ca 0.26 -0.13 0.15 0.00 2.80 0.00 0.00 57.97 61.05 1um7 h PHE 105 Cb 0.56 -0.28 -0.15 0.00 2.20 0.00 0.00 35.95 38.28 1um7 h PHE 105 CO -0.68 0.87 -0.26 0.93 -0.60 0.00 0.00 178.31 178.57 1um7 h GLU 106 N 0.87 -0.03 -0.05 1.51 4.39 0.24 0.10 114.58 121.61 1um7 h GLU 106 Ca 0.18 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.92 1um7 h GLU 106 Cb 0.38 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 1um7 h GLU 106 CO 0.01 -0.02 -0.39 1.03 -1.16 0.00 0.00 179.01 178.48 1um7 h SER 107 N -0.03 -1.19 -3.71 1.42 0.87 -1.20 -3.34 113.55 106.37 1um7 h SER 107 Ca 0.36 0.15 -0.66 0.00 -1.23 0.00 0.00 61.79 60.41 1um7 h SER 107 Cb 0.59 0.48 -0.39 0.00 -0.44 0.00 0.00 62.40 62.64 1um7 h SER 107 CO -0.83 -0.43 -0.69 -0.44 -0.53 0.00 0.00 176.83 173.91 1um7 s SER 108 N -4.84 4.82 0.46 6.23 0.01 0.30 -5.09 113.70 115.59 1um7 s SER 108 Ca -0.16 -2.20 0.03 0.00 1.31 0.00 0.00 55.95 54.93 1um7 s SER 108 Cb 0.09 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 1um7 s SER 108 CO 0.64 -0.39 0.03 -0.83 0.41 0.00 0.00 173.24 173.10 1um7 s GLY 109 N 0.96 2.80 -0.65 3.44 0.00 -0.87 -4.63 107.32 108.37 1um7 s GLY 109 Ca 0.11 -0.98 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 1um7 s GLY 109 CO -0.07 -2.09 1.55 2.56 0.00 0.00 0.00 173.10 175.05 1um7 s PRO 110 N -3.82 2.99 -0.53 2.90 0.04 -1.26 -4.95 135.00 130.37 1um7 s PRO 110 Ca 0.16 0.26 -0.27 0.00 0.04 0.00 0.00 61.00 61.19 1um7 s PRO 110 Cb 0.04 -4.25 0.03 0.00 0.04 0.00 0.00 34.50 30.35 1um7 s PRO 110 CO 0.09 -2.34 1.08 0.45 0.04 0.00 0.00 177.00 176.31 1um7 s SER 111 N 5.66 6.48 0.27 6.66 0.15 -1.26 -4.96 113.70 126.70 1um7 s SER 111 Ca 0.52 0.10 -0.20 0.00 0.70 0.00 0.00 55.95 57.07 1um7 s SER 111 Cb -0.11 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1um7 s SER 111 CO 0.19 -1.30 0.68 -0.94 1.20 0.00 0.00 173.24 173.08 1um7 s SER 112 N 2.69 -0.25 0.00 5.45 1.04 -1.26 -5.33 113.70 116.03 1um7 s SER 112 Ca 0.40 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1um7 s SER 112 Cb -0.09 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1um7 s SER 112 CO 0.26 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.79