#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 3.27 0.42 1.61 1.04 -1.26 -5.16 113.70 113.61 1um7 s SER 2 Ca 0.00 -1.44 0.07 0.00 0.48 0.00 0.00 55.95 55.07 1um7 s SER 2 Cb 0.00 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1um7 s SER 2 CO 0.00 -0.60 0.30 -0.55 0.98 0.00 0.00 173.24 173.37 1um7 s SER 3 N -3.64 4.80 0.00 7.02 0.15 -1.26 -5.03 113.70 115.74 1um7 s SER 3 Ca 0.31 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1um7 s SER 3 Cb 0.08 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1um7 s SER 3 CO 0.15 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1um7 n GLY 4 N -1.43 0.07 5.00 9.45 0.00 -1.26 -5.02 105.19 112.00 1um7 n GLY 4 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1um7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1um7 n SER 5 N 0.00 0.00 -4.54 1.61 2.88 -1.26 -4.91 113.62 107.40 1um7 n SER 5 Ca 0.00 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 57.05 1um7 n SER 5 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1um7 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1um7 n SER 6 N 2.88 0.77 0.00 -3.46 2.88 -1.26 -4.70 113.62 110.74 1um7 n SER 6 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1um7 n SER 6 Cb 0.00 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 1um7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1um7 n GLY 7 N 1.85 0.53 1.22 0.46 0.00 -1.26 -5.15 105.19 102.83 1um7 n GLY 7 Ca 0.15 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1um7 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1um7 n ARG 8 N 0.00 -3.50 -0.43 1.61 1.74 -1.26 -5.00 116.66 109.83 1um7 n ARG 8 Ca 0.00 2.61 -0.09 0.00 -0.77 0.00 0.00 57.85 59.60 1um7 n ARG 8 Cb 0.00 -2.94 0.07 0.00 -1.02 0.00 0.00 32.46 28.56 1um7 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1um7 n PRO 9 N -0.95 -0.99 -3.57 5.56 -0.04 -1.26 -5.11 135.00 128.64 1um7 n PRO 9 Ca 0.00 -0.55 -0.06 0.00 -0.04 0.00 0.00 63.50 62.85 1um7 n PRO 9 Cb 0.01 -0.43 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 1um7 n PRO 9 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1um7 s GLY 10 N -3.46 -0.29 0.00 0.55 0.00 -1.26 -5.14 107.32 97.71 1um7 s GLY 10 Ca 0.21 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1um7 s GLY 10 CO 0.15 0.62 0.00 0.61 0.00 0.00 0.00 173.10 174.48 1um7 n GLY 11 N 0.06 -0.10 3.38 0.20 0.00 -1.26 -5.09 105.19 102.38 1um7 n GLY 11 Ca -0.04 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.92 -3.91 1.61 8.00 -1.26 -4.84 116.55 110.23 1um7 n ASP 12 Ca 0.00 0.06 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 1um7 n ASP 12 Cb 0.00 -1.70 -0.00 0.00 -0.02 0.00 0.00 41.12 39.40 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 0.34 5.10 -0.02 2.24 0.00 -1.26 -4.54 120.51 122.38 1um7 n ALA 13 Ca -0.05 -4.80 -0.03 0.00 0.00 0.00 0.00 53.44 48.56 1um7 n ALA 13 Cb 0.61 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 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 1.17 0.09 -0.91 0.00 3.00 -1.26 -4.73 116.66 114.02 1um7 n ARG 14 Ca 0.27 0.02 -0.29 0.00 -0.01 0.00 0.00 57.85 57.84 1um7 n ARG 14 Cb 0.34 -1.06 0.23 0.00 0.00 0.00 0.00 32.46 31.97 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 -2.08 -0.91 -0.01 5.56 2.02 -1.26 -4.18 118.70 117.84 1um7 s GLU 15 Ca -0.05 0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.94 1um7 s GLU 15 Cb 0.01 -1.60 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 1um7 s GLU 15 CO 0.09 -3.58 1.20 -1.25 0.02 0.00 0.00 175.26 171.73 1um7 s PRO 16 N -5.04 4.38 0.16 0.39 0.04 -1.26 -4.29 135.00 129.39 1um7 s PRO 16 Ca 0.68 1.70 0.03 0.00 0.04 0.00 0.00 61.00 63.46 1um7 s PRO 16 Cb -0.16 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1um7 s PRO 16 CO 0.58 -0.37 0.27 -0.98 0.04 0.00 0.00 177.00 176.54 1um7 s ARG 17 N 1.81 3.37 -0.59 4.56 1.70 -0.29 -4.85 118.95 124.66 1um7 s ARG 17 Ca 0.57 -0.65 -0.24 0.00 -0.47 0.00 0.00 55.73 54.95 1um7 s ARG 17 Cb -0.26 -2.92 0.05 0.00 -0.57 0.00 0.00 34.95 31.25 1um7 s ARG 17 CO 0.25 0.51 0.95 0.21 -1.08 0.00 0.00 175.30 176.13 1um7 s LYS 18 N -3.27 3.25 -0.31 3.89 2.20 -1.26 -2.15 119.74 122.08 1um7 s LYS 18 Ca 0.34 -0.46 -0.09 0.00 -0.36 0.00 0.00 55.97 55.39 1um7 s LYS 18 Cb -0.11 -4.11 -0.00 0.00 -1.51 0.00 0.00 37.83 32.10 1um7 s LYS 18 CO 0.28 -1.60 0.14 0.42 -0.36 0.00 0.00 175.35 174.23 1um7 s ILE 19 N 3.99 4.48 -0.49 5.43 1.01 -0.10 -4.96 121.20 130.56 1um7 s ILE 19 Ca 0.27 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.28 1um7 s ILE 19 Cb -0.14 -3.31 0.10 0.00 0.01 0.00 0.00 42.46 39.12 1um7 s ILE 19 CO 0.16 0.04 0.41 -0.63 0.00 0.00 0.00 174.94 174.92 1um7 s ILE 20 N 1.59 4.90 -0.07 2.92 1.01 -1.26 0.20 121.20 130.49 1um7 s ILE 20 Ca 0.04 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.15 1um7 s ILE 20 Cb -0.17 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1um7 s ILE 20 CO 0.06 -0.72 0.34 -0.76 0.00 0.00 0.00 174.94 173.86 1um7 s LEU 21 N 1.55 4.39 -0.48 2.97 2.01 -0.46 -4.94 118.68 123.72 1um7 s LEU 21 Ca 0.04 0.76 -0.14 0.00 0.01 0.00 0.00 54.13 54.80 1um7 s LEU 21 Cb -0.27 -2.46 0.09 0.00 0.01 0.00 0.00 46.19 43.56 1um7 s LEU 21 CO 0.03 0.25 0.39 -1.00 1.01 0.00 0.00 176.35 177.03 1um7 s HIS 22 N -0.52 3.28 -0.41 0.29 3.76 -1.26 -2.70 115.29 117.73 1um7 s HIS 22 Ca 0.21 -1.21 -0.41 0.00 -0.15 0.00 0.00 55.06 53.50 1um7 s HIS 22 Cb -0.15 -3.30 -0.16 0.00 1.11 0.00 0.00 32.58 30.08 1um7 s HIS 22 CO 0.09 -0.87 1.99 1.63 -0.85 0.00 0.00 174.74 176.72 1um7 n LYS 23 N 5.13 0.55 0.11 1.40 5.02 -0.58 -4.50 118.16 125.29 1um7 n LYS 23 Ca -0.12 0.17 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 1um7 n LYS 23 Cb 0.42 -1.90 -0.15 0.00 -0.02 0.00 0.00 35.03 33.38 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 8.93 0.54 0.00 0.72 0.00 -1.90 -3.47 103.07 107.89 1um7 h GLY 24 Ca -0.28 -1.38 0.00 0.00 0.00 0.00 0.00 47.33 45.67 1um7 h GLY 24 CO 1.03 1.21 0.00 1.44 0.00 0.00 0.00 176.54 180.21 1um7 n SER 25 N -3.76 0.00 -0.02 0.19 7.64 -1.26 -4.98 113.62 111.43 1um7 n SER 25 Ca -0.19 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.54 1um7 n SER 25 Cb 1.05 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 64.15 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 1.47 0.00 0.44 1.35 -1.99 -3.50 112.91 110.69 1um7 h THR 26 Ca 0.00 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 1um7 h THR 26 Cb 0.00 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1um7 h THR 26 CO 0.00 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1um7 n GLY 27 N 0.92 -0.80 0.02 5.82 0.00 -1.26 -4.95 105.19 104.94 1um7 n GLY 27 Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 0.63 -0.25 0.99 7.99 -1.26 -3.07 117.00 122.02 1um7 n LEU 28 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.95 1um7 n LEU 28 Cb 0.00 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 1um7 n LEU 28 CO 0.00 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.59 1um7 n GLY 29 N 1.44 0.74 3.60 -0.72 0.00 -1.26 -0.55 105.19 108.44 1um7 n GLY 29 Ca 0.04 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.51 -0.67 0.61 1.61 -0.12 -1.26 0.36 117.98 116.00 1um7 s PHE 30 Ca 0.00 1.49 0.04 0.00 -0.05 0.00 0.00 56.93 58.41 1um7 s PHE 30 Cb 0.00 0.34 0.08 0.00 -0.63 0.00 0.00 43.02 42.81 1um7 s PHE 30 CO 0.00 -0.42 0.85 1.21 -0.05 0.00 0.00 175.22 176.81 1um7 s ASN 31 N -0.20 4.89 0.03 1.98 3.84 0.17 -4.94 114.94 120.71 1um7 s ASN 31 Ca -0.03 -0.44 -0.06 0.00 0.21 0.00 0.00 52.86 52.54 1um7 s ASN 31 Cb -0.03 -0.16 -0.01 0.00 -0.55 0.00 0.00 41.25 40.50 1um7 s ASN 31 CO 0.02 -1.45 0.11 0.27 -2.79 0.00 0.00 177.10 173.26 1um7 s ILE 32 N -2.84 0.12 0.08 -5.21 -4.36 -1.26 -2.49 121.20 105.23 1um7 s ILE 32 Ca 0.62 -0.96 -0.05 0.00 -0.26 0.00 0.00 60.65 60.00 1um7 s ILE 32 Cb -0.07 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.88 1um7 s ILE 32 CO 0.40 -0.53 0.11 0.68 0.24 0.00 0.00 174.94 175.84 1um7 s VAL 33 N -2.21 0.16 0.00 8.37 -7.23 0.56 -4.63 120.40 115.42 1um7 s VAL 33 Ca -0.08 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1um7 s VAL 33 Cb -0.03 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1um7 s VAL 33 CO -0.03 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.63 1um7 n GLY 34 N -0.01 -0.00 0.00 2.32 0.00 -1.26 -0.00 105.19 106.24 1um7 n GLY 34 Ca -0.14 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.62 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 0.89 2.71 -0.02 0.00 -1.23 -3.42 105.19 104.12 1um7 n GLY 35 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1um7 n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1um7 s GLU 36 N 0.22 -0.07 -1.61 1.61 4.04 -1.26 -4.37 118.70 117.26 1um7 s GLU 36 Ca 0.00 0.31 0.00 0.00 0.04 0.00 0.00 54.97 55.32 1um7 s GLU 36 Cb 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 34.13 33.73 1um7 s GLU 36 CO 0.00 -0.27 0.00 -0.25 -1.84 0.00 0.00 175.26 172.90 1um7 n ASP 37 N 4.90 -4.40 -3.52 0.83 8.00 -1.26 -1.24 116.55 119.86 1um7 n ASP 37 Ca -0.12 0.38 -0.19 0.00 0.71 0.00 0.00 54.79 55.57 1um7 n ASP 37 Cb 0.50 -3.87 0.07 0.00 -0.02 0.00 0.00 41.12 37.81 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 -0.21 -0.35 0.18 0.44 0.00 -1.26 -4.89 105.19 99.10 1um7 n GLY 38 Ca -0.15 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.94 0.00 0.00 1.61 4.11 -1.47 -3.45 114.58 113.44 1um7 h GLU 39 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.84 1um7 h GLU 39 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1um7 h GLU 39 CO 0.52 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.01 1um7 n GLY 40 N 1.15 1.73 3.76 1.06 0.00 -1.26 -5.03 105.19 106.60 1um7 n GLY 40 Ca 0.04 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.68 3.78 -0.11 -0.61 -1.09 -1.26 -3.48 121.20 116.76 1um7 s ILE 41 Ca 0.00 -1.59 -0.25 0.00 -2.23 0.00 0.00 60.65 56.58 1um7 s ILE 41 Cb 0.00 -3.14 0.06 0.00 -1.58 0.00 0.00 42.46 37.80 1um7 s ILE 41 CO 0.00 -0.30 0.60 -0.36 -1.23 0.00 0.00 174.94 173.65 1um7 s PHE 42 N -2.26 -0.59 0.21 3.97 0.40 1.00 -1.91 117.98 118.80 1um7 s PHE 42 Ca 0.35 1.17 -0.30 0.00 -0.60 0.00 0.00 56.93 57.55 1um7 s PHE 42 Cb -0.06 0.30 -0.09 0.00 0.51 0.00 0.00 43.02 43.67 1um7 s PHE 42 CO 0.23 -0.48 1.34 0.08 0.70 0.00 0.00 175.22 177.10 1um7 s VAL 43 N -0.69 3.06 -0.16 -0.44 1.01 -0.27 0.21 120.40 123.12 1um7 s VAL 43 Ca -0.08 0.88 0.12 0.00 0.00 0.00 0.00 61.98 62.90 1um7 s VAL 43 Cb -0.02 -3.56 -0.23 0.00 0.00 0.00 0.00 36.38 32.56 1um7 s VAL 43 CO 0.06 0.14 0.22 -1.54 0.00 0.00 0.00 175.10 173.98 1um7 n SER 44 N 2.53 0.74 -3.70 3.32 3.41 -1.04 -3.39 113.62 115.50 1um7 n SER 44 Ca 0.06 0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.74 1um7 n SER 44 Cb 0.42 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.53 -0.20 -0.07 7.33 5.36 -1.26 -4.89 117.98 121.71 1um7 s PHE 45 Ca -0.13 -0.08 -0.01 0.00 -0.96 0.00 0.00 56.93 55.75 1um7 s PHE 45 Cb 0.07 0.62 0.03 0.00 -0.34 0.00 0.00 43.02 43.40 1um7 s PHE 45 CO 0.79 -0.81 -0.01 0.42 -1.46 0.00 0.00 175.22 174.15 1um7 s ILE 46 N -3.34 0.41 0.67 3.12 -1.09 -1.26 0.41 121.20 120.11 1um7 s ILE 46 Ca 0.10 0.09 -0.17 0.00 -2.23 0.00 0.00 60.65 58.43 1um7 s ILE 46 Cb -0.02 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.32 1um7 s ILE 46 CO -0.00 0.26 1.26 -0.22 -1.23 0.00 0.00 174.94 175.00 1um7 s LEU 47 N 1.83 3.50 -0.42 2.97 2.96 0.16 -4.93 118.68 124.75 1um7 s LEU 47 Ca 0.03 2.53 -0.18 0.00 -0.22 0.00 0.00 54.13 56.28 1um7 s LEU 47 Cb -0.12 -4.61 0.02 0.00 0.50 0.00 0.00 46.19 41.98 1um7 s LEU 47 CO -0.05 -2.06 0.51 0.00 -1.32 0.00 0.00 176.35 173.43 1um7 s ALA 48 N -1.59 3.40 0.00 5.97 0.00 -1.26 -3.77 121.76 124.51 1um7 s ALA 48 Ca 0.80 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1um7 s ALA 48 Cb -0.34 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1um7 s ALA 48 CO 0.41 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.96 1um7 n GLY 49 N 5.06 1.57 1.61 0.00 0.00 -1.26 -5.08 105.19 107.09 1um7 n GLY 49 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.98 -2.67 0.15 -0.02 0.00 -1.25 -4.51 105.19 95.91 1um7 n GLY 50 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 0.32 0.00 1.61 0.13 -1.78 0.91 132.00 133.19 1um7 h PRO 51 Ca -0.19 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1um7 h PRO 51 Cb 0.58 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1um7 h PRO 51 CO 0.12 0.99 0.00 0.00 -0.23 0.00 0.00 178.00 178.88 1um7 n ALA 52 N -2.50 1.81 -0.04 -0.56 0.00 0.29 -0.53 120.51 118.98 1um7 n ALA 52 Ca -0.05 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 1um7 n ALA 52 Cb 0.77 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 1um7 n ALA 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1um7 n ASP 53 N -1.39 0.84 0.17 0.00 2.03 -1.05 -4.23 116.55 112.91 1um7 n ASP 53 Ca 0.06 0.14 -0.14 0.00 0.52 0.00 0.00 54.79 55.36 1um7 n ASP 53 Cb 0.16 -0.33 -0.08 0.00 -0.72 0.00 0.00 41.12 40.15 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 -0.35 -0.30 -1.76 -2.67 3.38 0.84 -1.66 115.31 112.80 1um7 h LEU 54 Ca -0.19 0.01 0.52 0.00 0.09 0.00 0.00 57.88 58.30 1um7 h LEU 54 Cb 1.03 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1um7 h LEU 54 CO -0.12 -0.21 1.25 -1.54 0.09 0.00 0.00 178.44 177.91 1um7 n SER 55 N -5.24 0.03 0.00 -0.43 3.41 0.31 -4.67 113.62 107.03 1um7 n SER 55 Ca -0.10 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 1um7 n SER 55 Cb 0.16 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.80 0.74 0.95 5.00 0.00 -0.62 -5.04 105.19 104.42 1um7 n GLY 56 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.18 1.53 -1.73 1.61 -0.58 -1.26 -5.06 120.64 112.98 1um7 n GLU 57 Ca 0.00 -0.97 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 1um7 n GLU 57 Cb 0.00 0.30 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 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 0.00 -3.95 -3.81 -4.62 0.00 -1.26 -4.26 117.00 99.09 1um7 n LEU 58 Ca -0.05 3.19 -0.12 0.00 0.00 0.00 0.00 56.01 59.03 1um7 n LEU 58 Cb 0.17 -3.12 -0.10 0.00 0.00 0.00 0.00 43.42 40.37 1um7 n LEU 58 CO 0.09 0.02 -0.09 -0.13 0.00 0.00 0.00 177.39 177.28 1um7 s ARG 59 N -3.08 0.46 -0.87 1.96 0.52 -1.26 -4.80 118.95 111.88 1um7 s ARG 59 Ca 0.00 -0.09 -0.24 0.00 -0.52 0.00 0.00 55.73 54.87 1um7 s ARG 59 Cb 0.00 0.20 -0.18 0.00 0.52 0.00 0.00 34.95 35.50 1um7 s ARG 59 CO 0.00 -0.11 2.27 -2.13 0.02 0.00 0.00 175.30 175.35 1um7 n ARG 60 N 1.91 0.36 0.00 3.54 0.63 -1.26 -2.50 116.66 119.35 1um7 n ARG 60 Ca -0.19 -1.04 0.00 0.00 -0.92 0.00 0.00 57.85 55.70 1um7 n ARG 60 Cb 0.57 -3.54 0.00 0.00 0.45 0.00 0.00 32.46 29.94 1um7 n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1um7 n GLY 61 N 6.46 0.01 3.11 5.14 0.00 -1.22 -4.96 105.19 113.74 1um7 n GLY 61 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.02 2.65 -0.34 1.61 2.15 -1.04 -1.81 116.67 119.88 1um7 s ASP 62 Ca 0.00 -0.48 -0.29 0.00 0.43 0.00 0.00 52.55 52.21 1um7 s ASP 62 Cb 0.00 -1.21 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 1um7 s ASP 62 CO 0.00 0.06 1.37 -0.60 -0.17 0.00 0.00 175.17 175.83 1um7 s ARG 63 N 0.80 3.78 -0.27 4.34 3.52 0.41 -1.12 118.95 130.41 1um7 s ARG 63 Ca -0.10 1.16 -0.29 0.00 -0.13 0.00 0.00 55.73 56.38 1um7 s ARG 63 Cb -0.16 -3.95 -0.02 0.00 -1.56 0.00 0.00 34.95 29.26 1um7 s ARG 63 CO 0.01 -1.30 1.74 0.42 -0.81 0.00 0.00 175.30 175.36 1um7 s ILE 64 N 4.84 3.53 -0.14 4.11 -1.09 -0.80 -0.93 121.20 130.72 1um7 s ILE 64 Ca 0.59 0.57 -0.26 0.00 -2.23 0.00 0.00 60.65 59.33 1um7 s ILE 64 Cb -0.16 -3.63 -0.23 0.00 -1.58 0.00 0.00 42.46 36.86 1um7 s ILE 64 CO 0.27 -0.34 0.66 -0.07 -1.23 0.00 0.00 174.94 174.23 1um7 h LEU 65 N 12.80 0.00 -8.06 2.97 -0.00 0.10 -3.37 115.31 119.75 1um7 h LEU 65 Ca -0.34 -0.87 -0.00 0.00 -0.00 0.00 0.00 57.88 56.66 1um7 h LEU 65 Cb 1.17 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.75 1um7 h LEU 65 CO 1.01 0.98 0.04 -0.94 -0.00 0.00 0.00 178.44 179.54 1um7 s SER 66 N -6.19 -0.18 -0.10 -0.43 1.04 -0.91 -2.65 113.70 104.27 1um7 s SER 66 Ca -0.18 -0.74 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1um7 s SER 66 Cb -0.02 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.76 1um7 s SER 66 CO 0.62 -1.21 -0.10 0.54 0.98 0.00 0.00 173.24 174.07 1um7 s VAL 67 N -3.96 1.11 -0.95 5.02 0.11 -0.97 -1.11 120.40 119.65 1um7 s VAL 67 Ca 0.16 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1um7 s VAL 67 Cb -0.03 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1um7 s VAL 67 CO 0.07 0.37 0.00 -3.20 -3.33 0.00 0.00 175.10 169.01 1um7 n ASN 68 N 4.51 -2.63 -0.23 3.54 2.85 0.52 0.12 115.26 123.93 1um7 n ASN 68 Ca -0.17 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1um7 n ASN 68 Cb 0.51 -2.52 0.00 0.00 1.24 0.00 0.00 39.78 39.01 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 -0.30 0.84 3.15 8.20 0.00 -1.26 -4.88 105.19 110.94 1um7 n GLY 69 Ca -0.10 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 1um7 n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1um7 s VAL 70 N -2.16 2.53 -0.39 1.61 1.01 0.12 -5.06 120.40 118.05 1um7 s VAL 70 Ca 0.00 -1.13 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 1um7 s VAL 70 Cb 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1um7 s VAL 70 CO 0.00 0.24 1.88 0.21 0.00 0.00 0.00 175.10 177.43 1um7 s ASN 71 N 1.27 5.63 0.00 3.32 3.84 -1.26 -2.28 114.94 125.46 1um7 s ASN 71 Ca -0.01 1.12 0.00 0.00 0.21 0.00 0.00 52.86 54.18 1um7 s ASN 71 Cb -0.16 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1um7 s ASN 71 CO -0.07 -1.95 0.75 0.18 -2.79 0.00 0.00 177.10 173.22 1um7 n LEU 72 N 11.31 1.48 -0.64 3.21 4.77 -1.08 -4.72 117.00 131.32 1um7 n LEU 72 Ca 0.24 -1.48 0.48 0.00 -0.03 0.00 0.00 56.01 55.22 1um7 n LEU 72 Cb 0.48 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.32 1um7 n LEU 72 CO 0.69 0.37 1.34 0.54 -1.33 0.00 0.00 177.39 179.00 1um7 n ARG 73 N -0.25 -0.00 -3.19 3.23 1.74 -1.15 -0.61 116.66 116.43 1um7 n ARG 73 Ca 0.00 0.98 -0.22 0.00 -0.77 0.00 0.00 57.85 57.84 1um7 n ARG 73 Cb 0.13 -2.26 -0.06 0.00 -1.02 0.00 0.00 32.46 29.25 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 -3.75 0.32 -4.25 0.55 5.03 -1.26 -4.15 115.26 107.74 1um7 n ASN 74 Ca 0.40 -2.78 -0.17 0.00 0.87 0.00 0.00 54.58 52.91 1um7 n ASN 74 Cb 1.82 -0.62 -0.11 0.00 -1.02 0.00 0.00 39.78 39.86 1um7 n ASN 74 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1um7 s ALA 75 N -1.50 1.54 0.91 5.41 0.00 0.22 -4.95 121.76 123.40 1um7 s ALA 75 Ca 0.36 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 1um7 s ALA 75 Cb 0.22 -0.04 0.14 0.00 0.00 0.00 0.00 23.12 23.44 1um7 s ALA 75 CO -0.10 0.04 1.20 0.95 0.00 0.00 0.00 175.76 177.85 1um7 s THR 76 N -2.55 1.97 0.09 0.00 -4.23 -1.26 -4.13 115.64 105.53 1um7 s THR 76 Ca 0.12 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.33 1um7 s THR 76 Cb -0.02 -2.88 -0.13 0.00 1.34 0.00 0.00 72.50 70.80 1um7 s THR 76 CO 0.03 0.00 1.62 -0.74 -0.54 0.00 0.00 174.62 174.99 1um7 h HIS 77 N -1.45 -0.89 -0.05 3.99 2.76 -1.76 -0.39 115.15 117.36 1um7 h HIS 77 Ca -0.47 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 57.73 1um7 h HIS 77 Cb 1.31 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 30.55 1um7 h HIS 77 CO -0.22 -0.47 -0.48 1.49 -1.30 0.00 0.00 177.93 176.94 1um7 h GLU 78 N -0.70 -0.58 -1.00 5.26 4.81 -1.94 0.23 114.58 120.66 1um7 h GLU 78 Ca -0.02 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.52 1um7 h GLU 78 Cb 0.63 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 30.01 1um7 h GLU 78 CO -0.05 -0.38 0.59 1.96 -0.73 0.00 0.00 179.01 180.39 1um7 h GLN 79 N -0.60 0.48 -0.30 1.92 4.20 -1.89 1.85 115.11 120.78 1um7 h GLN 79 Ca 0.04 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 1um7 h GLN 79 Cb 0.68 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1um7 h GLN 79 CO -0.37 0.32 -0.25 0.00 -0.67 0.00 0.00 178.83 177.86 1um7 h ALA 80 N 1.77 1.01 0.07 3.87 0.00 0.83 -1.90 119.26 124.91 1um7 h ALA 80 Ca 0.67 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1um7 h ALA 80 Cb 1.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1um7 h ALA 80 CO -0.52 0.59 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 1um7 h ALA 81 N 1.22 -0.09 -0.25 0.00 0.00 0.44 -3.10 119.26 117.49 1um7 h ALA 81 Ca 0.07 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1um7 h ALA 81 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1um7 h ALA 81 CO 0.05 -0.16 0.51 0.00 0.00 0.00 0.00 179.25 179.66 1um7 h ALA 82 N -0.18 1.85 -0.02 0.00 0.00 0.23 1.73 119.26 122.87 1um7 h ALA 82 Ca -0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1um7 h ALA 82 Cb 0.61 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1um7 h ALA 82 CO 0.02 -0.64 -0.78 0.00 0.00 0.00 0.00 179.25 177.85 1um7 h ALA 83 N 1.22 0.64 0.00 0.00 0.00 -1.27 0.03 119.26 119.88 1um7 h ALA 83 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1um7 h ALA 83 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1um7 h ALA 83 CO -0.00 0.86 -0.27 -0.07 0.00 0.00 0.00 179.25 179.77 1um7 h LEU 84 N 0.12 0.00 0.00 0.00 -0.00 0.26 -2.83 115.31 112.86 1um7 h LEU 84 Ca -0.03 -0.07 -0.16 0.00 -0.00 0.00 0.00 57.88 57.63 1um7 h LEU 84 Cb 1.36 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.99 1um7 h LEU 84 CO 0.12 0.03 -1.43 0.29 -0.00 0.00 0.00 178.44 177.45 1um7 n LYS 85 N -2.37 0.62 0.00 1.13 4.01 -0.13 -3.74 118.16 117.68 1um7 n LYS 85 Ca 0.04 0.20 0.13 0.00 -0.51 0.00 0.00 58.31 58.17 1um7 n LYS 85 Cb 0.46 -1.79 0.36 0.00 -0.51 0.00 0.00 35.03 33.54 1um7 n LYS 85 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1um7 n ARG 86 N -2.85 0.13 0.00 1.97 1.85 -0.02 -4.82 116.66 112.92 1um7 n ARG 86 Ca -0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1um7 n ARG 86 Cb 0.82 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 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 -1.38 0.00 -2.08 2.89 0.00 -1.07 -5.07 120.51 113.80 1um7 n ALA 87 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1um7 n ALA 87 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 3.11 1.75 0.07 0.00 0.00 -1.26 -5.05 105.19 103.81 1um7 n GLY 88 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.21 1.61 4.20 -1.92 -3.41 115.11 111.38 1um7 h GLN 89 Ca 0.00 0.00 -0.75 0.00 0.06 0.00 0.00 58.65 57.96 1um7 h GLN 89 Cb 0.00 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.55 1um7 h GLN 89 CO 0.00 0.73 0.08 -1.12 -0.67 0.00 0.00 178.83 177.86 1um7 s SER 90 N -6.20 6.46 -0.09 1.46 0.01 -1.26 -1.53 113.70 112.55 1um7 s SER 90 Ca -0.17 -2.09 0.01 0.00 1.31 0.00 0.00 55.95 55.01 1um7 s SER 90 Cb -0.00 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.96 1um7 s SER 90 CO 0.50 -0.82 -0.12 -0.69 0.41 0.00 0.00 173.24 172.52 1um7 s VAL 91 N 1.38 3.22 -0.51 3.43 1.01 -1.10 -5.02 120.40 122.81 1um7 s VAL 91 Ca 0.14 -0.64 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1um7 s VAL 91 Cb -0.18 -2.31 0.13 0.00 0.00 0.00 0.00 36.38 34.01 1um7 s VAL 91 CO -0.02 0.56 0.43 -0.89 0.00 0.00 0.00 175.10 175.18 1um7 s THR 92 N -0.28 4.72 -0.45 3.92 2.01 -1.26 -1.35 115.64 122.94 1um7 s THR 92 Ca 0.03 -1.66 -0.19 0.00 0.31 0.00 0.00 61.69 60.17 1um7 s THR 92 Cb -0.13 -4.06 0.03 0.00 0.01 0.00 0.00 72.50 68.35 1um7 s THR 92 CO 0.03 -0.83 0.59 -0.63 -0.69 0.00 0.00 174.62 173.09 1um7 s ILE 93 N 1.45 4.90 -0.58 1.82 1.09 0.52 0.19 121.20 130.60 1um7 s ILE 93 Ca 0.05 -0.17 -0.19 0.00 -1.10 0.00 0.00 60.65 59.23 1um7 s ILE 93 Cb -0.28 -4.19 0.09 0.00 -1.06 0.00 0.00 42.46 37.02 1um7 s ILE 93 CO 0.01 -0.62 0.71 -0.69 -0.10 0.00 0.00 174.94 174.26 1um7 s VAL 94 N 2.61 4.78 0.06 2.92 1.01 -0.27 -0.93 120.40 130.58 1um7 s VAL 94 Ca 0.18 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1um7 s VAL 94 Cb -0.16 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 1um7 s VAL 94 CO 0.16 -1.08 -0.17 0.00 0.00 0.00 0.00 175.10 174.01 1um7 s ALA 95 N 2.82 1.42 -0.16 5.51 0.00 -0.91 0.15 121.76 130.58 1um7 s ALA 95 Ca 0.14 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1um7 s ALA 95 Cb -0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1um7 s ALA 95 CO 0.08 0.27 -0.08 1.14 0.00 0.00 0.00 175.76 177.17 1um7 s GLN 96 N -1.51 3.48 -0.67 0.00 -2.07 -0.11 -1.14 119.66 117.64 1um7 s GLN 96 Ca 0.03 -0.61 -0.26 0.00 -1.82 0.00 0.00 55.36 52.70 1um7 s GLN 96 Cb -0.09 -2.83 -0.12 0.00 -1.09 0.00 0.00 33.01 28.89 1um7 s GLN 96 CO 0.02 0.12 2.42 0.98 -1.32 0.00 0.00 175.29 177.51 1um7 n TYR 97 N 3.85 1.25 -3.73 9.60 4.19 -1.26 -0.44 117.16 130.61 1um7 n TYR 97 Ca -0.18 0.05 -0.28 0.00 3.31 0.00 0.00 57.90 60.79 1um7 n TYR 97 Cb 0.52 -2.59 -0.12 0.00 0.49 0.00 0.00 39.34 37.64 1um7 n TYR 97 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 1um7 s ARG 98 N 8.63 1.67 0.27 2.98 6.06 -0.75 -4.82 118.95 132.99 1um7 s ARG 98 Ca 0.97 -2.54 0.13 0.00 -2.50 0.00 0.00 55.73 51.78 1um7 s ARG 98 Cb -0.18 -2.59 0.29 0.00 0.06 0.00 0.00 34.95 32.53 1um7 s ARG 98 CO 0.17 -1.25 1.55 -1.00 -2.50 0.00 0.00 175.30 172.28 1um7 h PRO 99 N 6.01 0.00 -0.69 5.12 0.13 -1.88 -2.57 132.00 138.12 1um7 h PRO 99 Ca 0.10 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.32 1um7 h PRO 99 Cb 0.86 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.95 1um7 h PRO 99 CO 0.56 0.61 0.46 0.93 -0.23 0.00 0.00 178.00 180.32 1um7 h GLU 100 N 0.00 0.59 0.02 0.86 5.08 -1.91 0.12 114.58 119.34 1um7 h GLU 100 Ca -0.01 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1um7 h GLU 100 Cb 1.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1um7 h GLU 100 CO 0.08 0.39 -0.72 0.93 -1.00 0.00 0.00 179.01 178.69 1um7 h GLU 101 N 0.61 0.04 0.00 2.33 4.39 -1.95 -3.31 114.58 116.69 1um7 h GLU 101 Ca 0.31 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1um7 h GLU 101 Cb 0.43 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1um7 h GLU 101 CO -0.11 1.03 0.16 -0.92 -1.16 0.00 0.00 179.01 178.01 1um7 h TYR 102 N -0.90 0.00 -0.77 4.33 3.20 -1.13 -2.50 116.97 119.20 1um7 h TYR 102 Ca -0.19 0.00 0.15 0.00 3.14 0.00 0.00 58.73 61.83 1um7 h TYR 102 Cb 1.24 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.36 1um7 h TYR 102 CO 0.18 0.00 -0.23 1.03 -1.64 0.00 0.00 178.16 177.51 1um7 h SER 103 N 0.00 -0.83 -0.58 -2.11 0.87 -0.85 0.49 113.55 110.54 1um7 h SER 103 Ca 0.00 0.24 0.10 0.00 -1.23 0.00 0.00 61.79 60.90 1um7 h SER 103 Cb 0.32 0.52 -0.11 0.00 -0.44 0.00 0.00 62.40 62.68 1um7 h SER 103 CO 0.00 -0.27 -0.34 0.03 -0.53 0.00 0.00 176.83 175.72 1um7 h ARG 104 N -0.02 -0.17 -0.54 2.24 3.08 -1.70 0.44 114.38 117.71 1um7 h ARG 104 Ca 0.36 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.35 1um7 h ARG 104 Cb 0.57 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1um7 h ARG 104 CO -0.80 -0.11 0.09 0.74 -1.07 0.00 0.00 179.97 178.81 1um7 h PHE 105 N -0.17 0.96 -0.84 3.04 0.04 -0.90 -3.11 116.94 115.96 1um7 h PHE 105 Ca 0.22 -0.13 0.12 0.00 2.80 0.00 0.00 57.97 60.98 1um7 h PHE 105 Cb 0.55 -0.26 -0.14 0.00 2.20 0.00 0.00 35.95 38.30 1um7 h PHE 105 CO -0.64 0.85 -0.41 0.93 -0.60 0.00 0.00 178.31 178.44 1um7 h GLU 106 N 0.79 -0.07 -0.00 1.51 4.39 0.20 0.09 114.58 121.48 1um7 h GLU 106 Ca 0.16 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.89 1um7 h GLU 106 Cb 0.41 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 1um7 h GLU 106 CO 0.01 -0.05 -0.52 1.03 -1.16 0.00 0.00 179.01 178.32 1um7 h SER 107 N -0.08 -1.61 -2.57 1.42 0.87 -1.28 -3.37 113.55 106.93 1um7 h SER 107 Ca 0.27 0.18 -0.56 0.00 -1.23 0.00 0.00 61.79 60.45 1um7 h SER 107 Cb 0.56 0.61 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 1um7 h SER 107 CO -0.87 -0.52 1.19 -0.44 -0.53 0.00 0.00 176.83 175.67 1um7 s SER 108 N -4.76 6.28 0.24 6.23 0.01 0.02 -4.98 113.70 116.74 1um7 s SER 108 Ca -0.16 1.89 0.11 0.00 1.31 0.00 0.00 55.95 59.10 1um7 s SER 108 Cb 0.07 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 1um7 s SER 108 CO 0.61 -1.30 -0.17 -0.83 0.41 0.00 0.00 173.24 171.97 1um7 s GLY 109 N 4.78 1.79 0.96 3.44 0.00 -1.26 -4.85 107.32 112.18 1um7 s GLY 109 Ca 0.79 -1.74 -0.14 0.00 0.00 0.00 0.00 44.72 43.63 1um7 s GLY 109 CO 0.32 -1.80 1.16 2.56 0.00 0.00 0.00 173.10 175.34 1um7 s PRO 110 N -3.24 0.71 -0.74 2.90 0.04 -1.26 -5.02 135.00 128.38 1um7 s PRO 110 Ca 0.27 0.12 0.01 0.00 0.04 0.00 0.00 61.00 61.44 1um7 s PRO 110 Cb -0.06 -1.80 0.18 0.00 0.04 0.00 0.00 34.50 32.86 1um7 s PRO 110 CO 0.14 -2.46 0.57 0.45 0.04 0.00 0.00 177.00 175.74 1um7 s SER 111 N -4.15 5.30 0.45 6.66 0.15 -1.26 -5.06 113.70 115.79 1um7 s SER 111 Ca 0.66 -3.52 0.07 0.00 0.70 0.00 0.00 55.95 53.86 1um7 s SER 111 Cb -0.12 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.38 1um7 s SER 111 CO 0.54 -0.19 0.25 -0.44 1.20 0.00 0.00 173.24 174.60 1um7 s SER 112 N -0.41 4.56 0.00 5.45 0.01 -1.26 -5.39 113.70 116.66 1um7 s SER 112 Ca 0.23 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.40 1um7 s SER 112 Cb -0.11 -0.23 0.03 0.00 0.21 0.00 0.00 66.02 65.92 1um7 s SER 112 CO -0.11 -0.71 0.53 0.61 0.41 0.00 0.00 173.24 173.97