#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 43c9 n GLN 1 N 0.00 0.05 -3.31 1.61 10.64 -1.26 -4.47 117.38 120.64 43c9 n GLN 1 Ca 0.00 -1.37 -0.13 0.00 -1.83 0.00 0.00 57.00 53.67 43c9 n GLN 1 Cb 0.00 -3.28 -0.06 0.00 -0.86 0.00 0.00 30.24 26.04 43c9 n GLN 1 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 43c9 s VAL 2 N 12.87 -0.47 -0.05 -0.39 1.01 -1.23 -4.42 120.40 127.71 43c9 s VAL 2 Ca 0.74 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.91 43c9 s VAL 2 Cb 0.03 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 43c9 s VAL 2 CO 0.24 -0.47 -0.14 -1.58 0.00 0.00 0.00 175.10 173.16 43c9 s GLN 3 N 1.44 2.50 -0.21 2.72 0.74 0.14 -4.96 119.66 122.03 43c9 s GLN 3 Ca 0.18 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 54.88 43c9 s GLN 3 Cb -0.12 -2.38 0.01 0.00 1.10 0.00 0.00 33.01 31.62 43c9 s GLN 3 CO -0.04 0.62 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.71 43c9 s LEU 4 N -0.76 2.70 -0.21 3.68 1.43 -1.26 -0.38 118.68 123.88 43c9 s LEU 4 Ca 0.12 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 43c9 s LEU 4 Cb -0.11 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.54 43c9 s LEU 4 CO 0.01 -0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 175.78 43c9 s VAL 5 N 1.36 1.51 -0.05 -1.59 1.01 -0.00 -2.56 120.40 120.08 43c9 s VAL 5 Ca 0.04 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 43c9 s VAL 5 Cb -0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 43c9 s VAL 5 CO -0.07 0.07 0.68 -1.61 0.00 0.00 0.00 175.10 174.16 43c9 s GLU 6 N 1.44 4.42 -0.18 2.72 8.01 -1.26 -1.80 118.70 132.06 43c9 s GLU 6 Ca -0.03 0.85 -0.03 0.00 0.01 0.00 0.00 54.97 55.77 43c9 s GLU 6 Cb -0.17 -3.42 -0.02 0.00 -4.31 0.00 0.00 34.13 26.21 43c9 s GLU 6 CO -0.07 0.14 -0.06 0.45 0.01 0.00 0.00 175.26 175.72 43c9 s SER 7 N 0.56 4.44 0.03 -0.19 0.15 0.79 -4.47 113.70 115.01 43c9 s SER 7 Ca 0.36 -0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.74 43c9 s SER 7 Cb -0.18 -1.73 -0.00 0.00 -1.71 0.00 0.00 66.02 62.40 43c9 s SER 7 CO 0.18 0.09 0.03 0.61 1.20 0.00 0.00 173.24 175.35 43c9 n GLY 8 N 4.06 3.76 0.11 9.45 0.00 -1.26 -0.72 105.19 120.58 43c9 n GLY 8 Ca -0.18 -1.63 0.05 0.00 0.00 0.00 0.00 46.02 44.26 43c9 n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 43c9 h PRO 9 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.50 132.00 128.35 43c9 h PRO 9 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 43c9 h PRO 9 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 43c9 h PRO 9 CO 0.03 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.40 43c9 n GLY 10 N 1.30 1.38 3.83 1.56 0.00 -1.25 -4.84 105.19 107.16 43c9 n GLY 10 Ca -0.05 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 43c9 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43c9 s LEU 11 N 0.00 4.36 -0.00 0.99 1.02 -1.26 0.14 118.68 123.93 43c9 s LEU 11 Ca 0.00 0.54 -0.02 0.00 0.02 0.00 0.00 54.13 54.67 43c9 s LEU 11 Cb 0.00 -2.23 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 43c9 s LEU 11 CO 0.00 0.31 0.03 -0.69 0.02 0.00 0.00 176.35 176.03 43c9 s VAL 12 N -0.61 0.06 0.28 -1.59 1.01 -0.18 -4.93 120.40 114.44 43c9 s VAL 12 Ca 0.16 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.49 43c9 s VAL 12 Cb -0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 43c9 s VAL 12 CO 0.05 -0.25 0.78 0.00 0.00 0.00 0.00 175.10 175.67 43c9 s ALA 13 N -0.77 3.33 1.08 5.51 0.00 -1.26 -0.31 121.76 129.34 43c9 s ALA 13 Ca -0.08 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.95 43c9 s ALA 13 Cb -0.05 -2.88 0.24 0.00 0.00 0.00 0.00 23.12 20.42 43c9 s ALA 13 CO -0.00 0.29 1.06 -2.14 0.00 0.00 0.00 175.76 174.97 43c9 s PRO 14 N -2.39 -0.24 0.00 0.00 0.02 -1.26 -3.16 135.00 127.97 43c9 s PRO 14 Ca 0.49 0.82 0.00 0.00 0.02 0.00 0.00 61.00 62.33 43c9 s PRO 14 Cb -0.14 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.74 43c9 s PRO 14 CO 0.20 -3.26 0.00 0.43 -0.33 0.00 0.00 177.00 174.03 43c9 n SER 15 N -4.59 0.00 -4.59 2.53 7.64 -0.44 -4.89 113.62 109.27 43c9 n SER 15 Ca 0.05 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.74 43c9 n SER 15 Cb 0.55 -1.17 0.08 0.00 -1.01 0.00 0.00 64.21 62.66 43c9 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 43c9 n GLN 16 N -2.00 0.39 -4.61 1.43 1.13 -1.19 -4.63 117.38 107.90 43c9 n GLN 16 Ca 0.00 -2.76 -0.31 0.00 -1.94 0.00 0.00 57.00 51.99 43c9 n GLN 16 Cb 0.00 -0.36 -0.12 0.00 0.11 0.00 0.00 30.24 29.87 43c9 n GLN 16 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 43c9 s SER 17 N -4.48 3.91 0.21 1.08 1.04 -1.26 -0.34 113.70 113.86 43c9 s SER 17 Ca 0.58 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 43c9 s SER 17 Cb -0.04 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.36 43c9 s SER 17 CO 0.37 0.25 0.44 -0.22 0.98 0.00 0.00 173.24 175.06 43c9 s LEU 18 N -1.48 4.19 -0.31 2.42 2.96 0.10 -4.96 118.68 121.60 43c9 s LEU 18 Ca 0.15 0.55 0.05 0.00 -0.22 0.00 0.00 54.13 54.66 43c9 s LEU 18 Cb -0.11 -3.32 0.18 0.00 0.50 0.00 0.00 46.19 43.44 43c9 s LEU 18 CO 0.06 -0.06 0.52 -0.44 -1.32 0.00 0.00 176.35 175.11 43c9 s SER 19 N -2.93 -0.70 0.10 3.68 0.01 -1.26 -2.37 113.70 110.23 43c9 s SER 19 Ca 0.41 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.43 43c9 s SER 19 Cb -0.11 1.59 -0.04 0.00 0.21 0.00 0.00 66.02 67.67 43c9 s SER 19 CO 0.28 -0.30 0.11 -0.63 0.41 0.00 0.00 173.24 173.11 43c9 s ILE 20 N 2.50 4.61 -0.05 1.44 1.01 -0.26 -4.56 121.20 125.90 43c9 s ILE 20 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.97 43c9 s ILE 20 Cb -0.10 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.13 43c9 s ILE 20 CO -0.23 0.07 -0.07 -0.89 0.00 0.00 0.00 174.94 173.81 43c9 s THR 21 N -1.49 0.70 -0.58 2.92 2.01 0.11 -1.83 115.64 117.48 43c9 s THR 21 Ca 0.30 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.98 43c9 s THR 21 Cb -0.12 -0.68 0.15 0.00 0.01 0.00 0.00 72.50 71.86 43c9 s THR 21 CO 0.23 0.25 0.45 0.00 -0.69 0.00 0.00 174.62 174.86 43c9 s THR 23 N 0.80 4.87 -0.09 0.00 2.01 -0.74 -1.46 115.64 121.02 43c9 s THR 23 Ca 0.11 1.76 0.03 0.00 0.31 0.00 0.00 61.69 63.90 43c9 s THR 23 Cb -0.22 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.09 43c9 s THR 23 CO -0.03 0.05 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.08 43c9 s VAL 24 N 1.91 2.66 -0.05 3.82 1.01 -0.88 -0.82 120.40 128.05 43c9 s VAL 24 Ca 0.42 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 43c9 s VAL 24 Cb -0.17 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.18 43c9 s VAL 24 CO 0.15 0.56 0.04 -0.94 0.00 0.00 0.00 175.10 174.91 43c9 s SER 25 N -0.02 1.12 0.00 3.32 1.04 0.49 -4.80 113.70 114.84 43c9 s SER 25 Ca -0.05 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.41 43c9 s SER 25 Cb -0.15 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.76 43c9 s SER 25 CO 0.05 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.66 43c9 n GLY 26 N 5.10 1.17 3.37 7.32 0.00 -1.26 0.23 105.19 121.12 43c9 n GLY 26 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 43c9 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 43c9 s ILE 27 N -0.33 1.84 -0.11 -0.61 -4.36 -1.26 -4.95 121.20 111.42 43c9 s ILE 27 Ca 0.00 -2.24 -0.12 0.00 -0.26 0.00 0.00 60.65 58.04 43c9 s ILE 27 Cb 0.00 -2.09 -0.05 0.00 1.25 0.00 0.00 42.46 41.57 43c9 s ILE 27 CO 0.00 -0.56 0.26 -0.94 0.24 0.00 0.00 174.94 173.95 43c9 s SER 28 N -3.35 6.51 0.17 4.36 1.04 -1.26 -5.01 113.70 116.16 43c9 s SER 28 Ca 0.24 0.60 -0.07 0.00 0.48 0.00 0.00 55.95 57.20 43c9 s SER 28 Cb -0.01 -2.16 0.04 0.00 0.10 0.00 0.00 66.02 63.99 43c9 s SER 28 CO 0.08 0.26 1.50 -0.07 0.98 0.00 0.00 173.24 175.99 43c9 h LEU 29 N 5.60 0.83 -2.01 2.42 3.38 -1.88 -2.72 115.31 120.93 43c9 h LEU 29 Ca -0.48 -0.40 0.11 0.00 0.09 0.00 0.00 57.88 57.19 43c9 h LEU 29 Cb 1.20 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 43c9 h LEU 29 CO 0.66 1.15 0.27 0.77 0.09 0.00 0.00 178.44 181.39 43c9 h SER 30 N 0.62 0.00 1.43 -0.43 4.64 -1.94 0.11 113.55 117.97 43c9 h SER 30 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 43c9 h SER 30 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 43c9 h SER 30 CO 0.10 0.00 -0.57 -0.09 -0.87 0.00 0.00 176.83 175.39 43c9 h ARG 31 N 0.00 0.00 -6.47 4.77 2.43 -1.81 -3.39 114.38 109.91 43c9 h ARG 31 Ca 0.18 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.66 43c9 h ARG 31 Cb 0.71 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.05 43c9 h ARG 31 CO -0.00 0.54 -0.78 0.71 -1.51 0.00 0.00 179.97 178.93 43c9 s TYR 32 N -2.93 2.64 -0.19 2.20 1.51 0.38 -4.62 117.35 116.33 43c9 s TYR 32 Ca 0.04 -0.20 -0.14 0.00 -1.01 0.00 0.00 57.07 55.75 43c9 s TYR 32 Cb 0.08 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 43c9 s TYR 32 CO 0.75 0.25 0.32 -0.80 -1.11 0.00 0.00 175.55 174.96 43c9 s ASN 33 N -1.26 6.37 -0.22 2.29 0.01 -0.19 -3.41 114.94 118.52 43c9 s ASN 33 Ca 0.14 0.43 -0.05 0.00 -0.71 0.00 0.00 52.86 52.68 43c9 s ASN 33 Cb -0.11 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 43c9 s ASN 33 CO 0.05 0.01 -0.02 -0.69 -1.51 0.00 0.00 177.10 174.94 43c9 s VAL 34 N 0.97 3.61 0.02 1.60 1.01 -0.83 -1.31 120.40 125.46 43c9 s VAL 34 Ca 0.16 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 43c9 s VAL 34 Cb -0.14 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 43c9 s VAL 34 CO 0.06 0.41 0.26 -1.00 0.00 0.00 0.00 175.10 174.83 43c9 s HIS 35 N 1.41 3.57 -0.24 5.22 3.76 0.54 -1.53 115.29 128.02 43c9 s HIS 35 Ca 0.05 0.53 -0.07 0.00 -0.15 0.00 0.00 55.06 55.42 43c9 s HIS 35 Cb -0.14 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 43c9 s HIS 35 CO -0.01 0.61 0.05 -1.58 -0.85 0.00 0.00 174.74 172.96 43c9 s TRP 36 N -1.33 3.07 0.20 1.40 0.23 0.63 -0.60 118.94 122.54 43c9 s TRP 36 Ca 0.28 -0.50 0.03 0.00 -2.03 0.00 0.00 56.10 53.89 43c9 s TRP 36 Cb -0.13 -2.21 -0.05 0.00 0.03 0.00 0.00 33.47 31.11 43c9 s TRP 36 CO 0.17 -0.38 -0.03 0.08 0.96 0.00 0.00 176.95 177.76 43c9 s VAL 37 N 1.57 0.98 0.01 4.03 1.01 0.44 -0.88 120.40 127.56 43c9 s VAL 37 Ca 0.06 -2.03 -0.07 0.00 0.00 0.00 0.00 61.98 59.94 43c9 s VAL 37 Cb -0.15 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 43c9 s VAL 37 CO 0.03 -0.46 0.13 0.00 0.00 0.00 0.00 175.10 174.80 43c9 s ARG 38 N -3.85 0.49 -0.01 2.72 1.70 -0.83 -0.39 118.95 118.78 43c9 s ARG 38 Ca 0.25 -0.44 0.02 0.00 -0.47 0.00 0.00 55.73 55.10 43c9 s ARG 38 Cb 0.05 0.20 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 43c9 s ARG 38 CO 0.06 -0.12 -0.08 -1.14 -1.08 0.00 0.00 175.30 172.94 43c9 s GLN 39 N -1.49 0.69 -0.08 3.89 0.74 0.68 -2.04 119.66 122.05 43c9 s GLN 39 Ca -0.14 -0.29 -0.15 0.00 0.05 0.00 0.00 55.36 54.83 43c9 s GLN 39 Cb -0.07 -0.67 0.03 0.00 1.10 0.00 0.00 33.01 33.40 43c9 s GLN 39 CO 0.01 0.17 0.37 -1.12 -0.55 0.00 0.00 175.29 174.17 43c9 s SER 40 N -0.14 -0.32 0.52 6.67 0.01 -1.10 -0.41 113.70 118.92 43c9 s SER 40 Ca 0.02 0.45 0.29 0.00 1.31 0.00 0.00 55.95 58.02 43c9 s SER 40 Cb -0.04 0.55 1.38 0.00 0.21 0.00 0.00 66.02 68.13 43c9 s SER 40 CO -0.00 -0.31 2.02 1.55 0.41 0.00 0.00 173.24 176.91 43c9 h PRO 41 N 4.59 0.00 0.14 12.44 0.13 -1.97 0.34 132.00 147.66 43c9 h PRO 41 Ca -0.28 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.52 43c9 h PRO 41 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 43c9 h PRO 41 CO 0.33 0.12 -1.69 0.78 -0.23 0.00 0.00 178.00 177.32 43c9 h GLY 42 N 1.25 0.34 -0.78 1.56 0.00 -2.00 -3.36 103.07 100.08 43c9 h GLY 42 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 43c9 h GLY 42 CO 0.02 0.76 -0.21 0.28 0.00 0.00 0.00 176.54 177.39 43c9 n LYS 43 N -3.49 1.46 0.00 4.80 5.02 -1.17 -5.08 118.16 119.71 43c9 n LYS 43 Ca -0.22 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.00 43c9 n LYS 43 Cb 1.06 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 43c9 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 43c9 n GLY 44 N 1.33 0.96 3.75 0.72 0.00 0.12 -4.59 105.19 107.48 43c9 n GLY 44 Ca 0.13 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 43c9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 43c9 s LEU 45 N 0.00 4.44 -0.05 0.99 1.43 -1.26 -2.72 118.68 121.50 43c9 s LEU 45 Ca 0.00 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 43c9 s LEU 45 Cb 0.00 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.16 43c9 s LEU 45 CO 0.00 0.06 -0.01 -1.61 0.23 0.00 0.00 176.35 175.02 43c9 s GLU 46 N -0.14 0.55 -0.19 1.70 2.02 -0.87 -5.03 118.70 116.74 43c9 s GLU 46 Ca 0.35 0.05 -0.24 0.00 0.02 0.00 0.00 54.97 55.15 43c9 s GLU 46 Cb -0.19 -0.77 -0.02 0.00 0.10 0.00 0.00 34.13 33.25 43c9 s GLU 46 CO 0.20 -0.19 0.77 -0.46 0.02 0.00 0.00 175.26 175.60 43c9 s TRP 47 N 1.39 3.38 -0.22 1.61 -0.00 -1.26 -1.96 118.94 121.89 43c9 s TRP 47 Ca -0.04 1.13 -0.13 0.00 -0.00 0.00 0.00 56.10 57.06 43c9 s TRP 47 Cb -0.13 -2.95 -0.18 0.00 -0.00 0.00 0.00 33.47 30.20 43c9 s TRP 47 CO -0.03 -0.25 0.02 1.28 -0.00 0.00 0.00 176.95 177.98 43c9 n LEU 48 N 5.32 2.22 0.00 5.86 4.77 -0.06 -4.63 117.00 130.48 43c9 n LEU 48 Ca 0.03 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 43c9 n LEU 48 Cb 0.49 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 43c9 n LEU 48 CO 0.47 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 43c9 n GLY 49 N 1.63 -1.36 3.82 -0.72 0.00 -1.09 0.20 105.19 107.67 43c9 n GLY 49 Ca -0.40 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 43c9 n GLY 49 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 43c9 s MET 50 N -0.88 1.61 -0.16 1.61 0.23 0.35 -0.26 119.30 121.80 43c9 s MET 50 Ca 0.00 -0.97 -0.04 0.00 -1.03 0.00 0.00 55.69 53.65 43c9 s MET 50 Cb 0.00 0.50 0.08 0.00 -1.53 0.00 0.00 34.83 33.88 43c9 s MET 50 CO 0.00 -0.75 0.22 -1.50 -2.03 0.00 0.00 175.02 170.97 43c9 s ILE 51 N -2.96 -0.34 0.79 3.16 2.07 -0.58 -1.68 121.20 121.66 43c9 s ILE 51 Ca 0.15 0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.35 43c9 s ILE 51 Cb -0.04 -0.54 0.07 0.00 0.13 0.00 0.00 42.46 42.08 43c9 s ILE 51 CO 0.06 -0.05 1.14 0.26 -1.91 0.00 0.00 174.94 174.45 43c9 s TRP 52 N 2.35 2.13 0.42 3.50 0.52 0.43 -1.97 118.94 126.33 43c9 s TRP 52 Ca 0.05 1.65 0.14 0.00 0.02 0.00 0.00 56.10 57.95 43c9 s TRP 52 Cb -0.14 -3.28 1.01 0.00 -1.15 0.00 0.00 33.47 29.91 43c9 s TRP 52 CO -0.10 -2.33 1.95 0.78 0.02 0.00 0.00 176.95 177.27 43c9 h GLY 53 N -0.97 0.69 0.66 0.98 0.00 -1.74 0.48 103.07 103.16 43c9 h GLY 53 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.69 43c9 h GLY 53 CO 0.48 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.73 43c9 n GLY 54 N -1.51 -0.42 1.96 4.60 0.00 -1.26 -4.48 105.19 104.09 43c9 n GLY 54 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.09 43c9 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43c9 n GLY 55 N -0.14 0.50 3.78 -0.02 0.00 0.17 -5.04 105.19 104.43 43c9 n GLY 55 Ca 0.07 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 43c9 n GLY 55 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 43c9 s SER 56 N -2.11 7.27 -0.05 1.61 0.15 -1.25 -4.82 113.70 114.49 43c9 s SER 56 Ca 0.00 1.50 0.04 0.00 0.70 0.00 0.00 55.95 58.19 43c9 s SER 56 Cb 0.00 -2.46 -0.02 0.00 -1.71 0.00 0.00 66.02 61.83 43c9 s SER 56 CO 0.00 0.18 -0.17 -0.63 1.20 0.00 0.00 173.24 173.83 43c9 s ILE 57 N -0.90 2.86 -0.03 6.45 1.01 -1.26 -0.43 121.20 128.90 43c9 s ILE 57 Ca 0.34 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.22 43c9 s ILE 57 Cb -0.22 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.16 43c9 s ILE 57 CO 0.24 0.58 -0.08 -1.61 0.00 0.00 0.00 174.94 174.07 43c9 s GLU 58 N -0.62 0.92 0.22 2.79 2.02 -0.67 -5.00 118.70 118.36 43c9 s GLU 58 Ca 0.09 -0.24 0.11 0.00 0.02 0.00 0.00 54.97 54.94 43c9 s GLU 58 Cb -0.11 -0.86 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 43c9 s GLU 58 CO 0.01 0.05 -0.15 0.71 0.02 0.00 0.00 175.26 175.90 43c9 s TYR 59 N 0.39 2.45 0.14 1.61 2.02 -1.26 -0.50 117.35 122.21 43c9 s TYR 59 Ca -0.06 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 56.04 43c9 s TYR 59 Cb -0.10 -1.16 -0.08 0.00 -0.40 0.00 0.00 41.96 40.22 43c9 s TYR 59 CO 0.01 0.57 1.32 1.21 -1.57 0.00 0.00 175.55 177.09 43c9 s ASN 60 N -3.05 6.90 0.21 2.29 3.84 0.13 -4.88 114.94 120.38 43c9 s ASN 60 Ca 0.26 2.31 -0.10 0.00 0.21 0.00 0.00 52.86 55.53 43c9 s ASN 60 Cb -0.07 -2.60 0.29 0.00 -0.55 0.00 0.00 41.25 38.32 43c9 s ASN 60 CO 0.14 -0.57 1.69 1.55 -2.79 0.00 0.00 177.10 177.12 43c9 h PRO 61 N 6.16 0.19 -0.08 0.43 0.13 -1.94 0.19 132.00 137.09 43c9 h PRO 61 Ca -0.43 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 43c9 h PRO 61 Cb 1.21 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 43c9 h PRO 61 CO 0.82 0.13 0.01 0.00 -0.23 0.00 0.00 178.00 178.72 43c9 h ALA 62 N 1.50 1.87 -0.14 -0.56 0.00 -1.99 -2.14 119.26 117.81 43c9 h ALA 62 Ca 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 43c9 h ALA 62 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 43c9 h ALA 62 CO -0.44 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.19 43c9 n LEU 63 N -4.48 2.44 -0.24 0.00 4.77 -0.91 -4.65 117.00 113.92 43c9 n LEU 63 Ca -0.02 -1.29 0.02 0.00 -0.03 0.00 0.00 56.01 54.69 43c9 n LEU 63 Cb 0.12 -0.08 0.10 0.00 -2.33 0.00 0.00 43.42 41.23 43c9 n LEU 63 CO 0.35 0.51 0.76 0.50 -1.33 0.00 0.00 177.39 178.18 43c9 h LYS 64 N 2.66 0.03 -0.52 3.23 3.64 0.07 0.11 116.57 125.78 43c9 h LYS 64 Ca 0.00 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 43c9 h LYS 64 Cb 0.64 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 43c9 h LYS 64 CO 0.00 0.02 0.17 0.66 -2.27 0.00 0.00 179.45 178.03 43c9 h SER 65 N 0.03 0.14 1.27 4.20 4.64 -1.83 -3.07 113.55 118.93 43c9 h SER 65 Ca 0.36 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.68 43c9 h SER 65 Cb 0.57 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 43c9 h SER 65 CO -0.69 0.10 -0.76 0.03 -0.87 0.00 0.00 176.83 174.64 43c9 h ARG 66 N 0.33 0.00 -7.28 4.77 3.08 -1.61 -3.48 114.38 110.19 43c9 h ARG 66 Ca 0.26 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.82 43c9 h ARG 66 Cb 0.31 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.42 43c9 h ARG 66 CO -0.28 0.18 0.31 -0.51 -1.07 0.00 0.00 179.97 178.60 43c9 s LEU 67 N -5.90 3.17 -0.30 3.04 1.43 0.28 -2.80 118.68 117.59 43c9 s LEU 67 Ca 0.02 1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 43c9 s LEU 67 Cb 0.08 -3.96 0.13 0.00 0.03 0.00 0.00 46.19 42.47 43c9 s LEU 67 CO 0.76 -1.05 0.77 -0.55 0.23 0.00 0.00 176.35 176.51 43c9 s SER 68 N -4.27 -0.91 -0.02 2.29 0.15 -1.18 -4.96 113.70 104.81 43c9 s SER 68 Ca 0.55 1.29 0.05 0.00 0.70 0.00 0.00 55.95 58.54 43c9 s SER 68 Cb -0.11 1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 66.09 43c9 s SER 68 CO 0.50 -0.19 -0.16 -0.63 1.20 0.00 0.00 173.24 173.96 43c9 s ILE 69 N 2.44 1.29 0.30 6.45 1.01 -1.26 -1.79 121.20 129.64 43c9 s ILE 69 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 43c9 s ILE 69 Cb -0.09 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.31 43c9 s ILE 69 CO -0.18 0.37 0.56 -0.94 0.00 0.00 0.00 174.94 174.74 43c9 s SER 70 N -0.26 0.16 0.29 3.58 1.04 -1.09 -5.01 113.70 112.41 43c9 s SER 70 Ca 0.04 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.28 43c9 s SER 70 Cb -0.08 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.72 43c9 s SER 70 CO 0.00 -1.30 0.53 -1.59 0.98 0.00 0.00 173.24 171.86 43c9 s LYS 71 N -3.48 1.72 -0.40 4.02 -2.85 -1.26 -0.24 119.74 117.25 43c9 s LYS 71 Ca 0.22 -1.37 0.05 0.00 -1.00 0.00 0.00 55.97 53.87 43c9 s LYS 71 Cb -0.02 0.49 0.17 0.00 -2.06 0.00 0.00 37.83 36.41 43c9 s LYS 71 CO 0.12 -0.73 0.47 0.34 0.10 0.00 0.00 175.35 175.65 43c9 s ASP 72 N -3.07 0.25 0.30 0.03 2.15 -0.20 -4.99 116.67 111.14 43c9 s ASP 72 Ca 0.23 -1.54 0.05 0.00 0.43 0.00 0.00 52.55 51.71 43c9 s ASP 72 Cb -0.01 0.96 0.68 0.00 -0.30 0.00 0.00 42.92 44.25 43c9 s ASP 72 CO 0.12 -0.21 1.80 0.78 -0.17 0.00 0.00 175.17 177.49 43c9 h ASN 73 N 6.69 0.83 -0.37 -0.34 2.35 -1.95 0.31 115.58 123.10 43c9 h ASN 73 Ca 0.07 0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 43c9 h ASN 73 Cb 1.08 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.31 43c9 h ASN 73 CO 0.17 0.35 0.03 0.77 -1.65 0.00 0.00 177.43 177.10 43c9 h SER 74 N 0.84 -0.09 0.40 5.81 4.64 -1.96 -1.07 113.55 122.12 43c9 h SER 74 Ca 0.54 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 43c9 h SER 74 Cb 0.75 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 43c9 h SER 74 CO -0.33 -0.01 -0.26 1.17 -0.87 0.00 0.00 176.83 176.52 43c9 n LYS 75 N -5.15 0.51 -3.28 4.77 4.81 -0.71 -4.97 118.16 114.14 43c9 n LYS 75 Ca 0.02 -0.26 -0.16 0.00 -0.87 0.00 0.00 58.31 57.05 43c9 n LYS 75 Cb 0.19 -1.49 0.08 0.00 0.02 0.00 0.00 35.03 33.82 43c9 n LYS 75 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 43c9 n SER 76 N -1.02 -2.57 -4.13 3.14 2.88 0.10 -4.90 113.62 107.13 43c9 n SER 76 Ca 0.11 -0.53 -0.20 0.00 -1.33 0.00 0.00 58.87 56.91 43c9 n SER 76 Cb 0.33 -4.54 -0.13 0.00 -0.75 0.00 0.00 64.21 59.11 43c9 n SER 76 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 43c9 s GLN 77 N -5.33 0.92 -0.08 -1.46 -0.21 -0.99 -2.08 119.66 110.43 43c9 s GLN 77 Ca 0.07 -0.70 0.04 0.00 0.02 0.00 0.00 55.36 54.80 43c9 s GLN 77 Cb -0.03 -0.91 -0.00 0.00 1.00 0.00 0.00 33.01 33.06 43c9 s GLN 77 CO 0.64 0.23 -0.23 0.42 -2.12 0.00 0.00 175.29 174.23 43c9 s ILE 78 N -0.77 1.96 0.20 1.08 1.09 -0.53 -1.03 121.20 123.19 43c9 s ILE 78 Ca 0.02 -0.98 0.08 0.00 -1.10 0.00 0.00 60.65 58.67 43c9 s ILE 78 Cb -0.07 -1.69 -0.04 0.00 -1.06 0.00 0.00 42.46 39.60 43c9 s ILE 78 CO 0.01 0.54 0.01 -0.36 -0.10 0.00 0.00 174.94 175.04 43c9 s PHE 79 N 0.21 2.82 -0.07 3.97 0.08 0.67 -0.01 117.98 125.64 43c9 s PHE 79 Ca -0.14 -0.16 -0.09 0.00 0.12 0.00 0.00 56.93 56.67 43c9 s PHE 79 Cb -0.16 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.97 43c9 s PHE 79 CO 0.07 0.54 0.23 -1.17 -0.10 0.00 0.00 175.22 174.79 43c9 s LEU 80 N -3.17 1.14 -0.22 -0.37 2.96 -0.76 -2.66 118.68 115.60 43c9 s LEU 80 Ca 0.29 0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 43c9 s LEU 80 Cb -0.09 0.82 0.11 0.00 0.50 0.00 0.00 46.19 47.54 43c9 s LEU 80 CO 0.19 -0.14 0.30 -0.75 -1.32 0.00 0.00 176.35 174.63 43c9 s LYS 81 N -0.17 0.27 0.02 1.98 2.20 -0.74 -1.10 119.74 122.20 43c9 s LYS 81 Ca -0.03 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.92 43c9 s LYS 81 Cb -0.03 -0.80 -0.05 0.00 -1.51 0.00 0.00 37.83 35.45 43c9 s LYS 81 CO 0.01 -0.63 0.27 -1.64 -0.36 0.00 0.00 175.35 172.99 43c9 s MET 82 N 2.44 3.56 0.19 4.03 -1.94 -1.00 -3.07 119.30 123.51 43c9 s MET 82 Ca 0.09 -0.12 0.07 0.00 -1.71 0.00 0.00 55.69 54.02 43c9 s MET 82 Cb -0.15 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.59 43c9 s MET 82 CO -0.14 0.63 0.05 -0.80 -0.01 0.00 0.00 175.02 174.75 43c9 s ASN 82 N -1.85 4.97 -1.05 3.03 -0.87 -1.12 0.03 114.94 118.08 43c9 s ASN 82 Ca 0.29 -0.36 -0.17 0.00 -1.57 0.00 0.00 52.86 51.05 43c9 s ASN 82 Cb -0.13 -1.12 0.00 0.00 -0.02 0.00 0.00 41.25 39.99 43c9 s ASN 82 CO 0.18 0.06 0.73 -1.20 -2.57 0.00 0.00 177.10 174.30 43c9 n SER 82 N -0.38 -5.30 -4.59 -1.22 7.64 -1.16 -4.85 113.62 103.75 43c9 n SER 82 Ca -0.09 -0.96 -0.38 0.00 1.01 0.00 0.00 58.87 58.46 43c9 n SER 82 Cb 0.56 -2.94 0.05 0.00 -1.01 0.00 0.00 64.21 60.87 43c9 n SER 82 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 43c9 n LEU 82 N -3.78 3.10 -4.01 -3.43 4.77 0.53 -4.69 117.00 109.50 43c9 n LEU 82 Ca -0.13 0.79 -0.09 0.00 -0.03 0.00 0.00 56.01 56.55 43c9 n LEU 82 Cb 0.60 -1.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.23 43c9 n LEU 82 CO 0.66 -2.10 -0.37 -1.10 -1.33 0.00 0.00 177.39 173.16 43c9 s GLN 83 N -2.62 0.40 0.55 3.23 -0.21 -1.26 -1.33 119.66 118.42 43c9 s GLN 83 Ca 0.74 -0.74 0.35 0.00 0.02 0.00 0.00 55.36 55.73 43c9 s GLN 83 Cb -0.42 0.05 1.50 0.00 1.00 0.00 0.00 33.01 35.14 43c9 s GLN 83 CO 0.49 -0.04 1.80 1.79 -2.12 0.00 0.00 175.29 177.20 43c9 h THR 84 N 4.36 0.40 0.00 -0.19 1.35 -1.96 0.45 112.91 117.32 43c9 h THR 84 Ca -0.33 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.49 43c9 h THR 84 Cb 1.20 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 43c9 h THR 84 CO 0.45 0.00 -0.18 0.44 -0.25 0.00 0.00 175.52 175.98 43c9 h ASP 85 N 0.00 0.00 0.06 5.36 3.32 -1.95 -3.09 116.42 120.11 43c9 h ASP 85 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 43c9 h ASP 85 Cb 2.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.64 43c9 h ASP 85 CO -0.01 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 178.16 43c9 n ASP 86 N -3.58 0.00 -4.72 6.45 8.00 0.16 -4.81 116.55 118.04 43c9 n ASP 86 Ca -0.01 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.44 43c9 n ASP 86 Cb 0.32 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 43c9 n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 43c9 s SER 87 N -2.08 6.93 -0.01 -2.24 0.01 -1.17 -4.86 113.70 110.28 43c9 s SER 87 Ca 0.33 2.25 -0.28 0.00 1.31 0.00 0.00 55.95 59.56 43c9 s SER 87 Cb 0.16 -2.59 0.10 0.00 0.21 0.00 0.00 66.02 63.89 43c9 s SER 87 CO 0.28 -0.55 1.28 0.00 0.41 0.00 0.00 173.24 174.66 43c9 s ALA 88 N 0.77 -2.44 -0.49 1.44 0.00 -0.22 -4.89 121.76 115.93 43c9 s ALA 88 Ca 0.60 0.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 43c9 s ALA 88 Cb -0.34 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.72 43c9 s ALA 88 CO 0.32 -1.14 0.48 1.41 0.00 0.00 0.00 175.76 176.83 43c9 s MET 89 N -2.05 3.03 -0.15 0.00 -2.45 0.45 -0.22 119.30 117.92 43c9 s MET 89 Ca 0.29 -1.21 -0.26 0.00 -1.25 0.00 0.00 55.69 53.26 43c9 s MET 89 Cb -0.00 -4.13 -0.02 0.00 1.25 0.00 0.00 34.83 31.93 43c9 s MET 89 CO -0.01 -1.12 0.84 0.71 1.05 0.00 0.00 175.02 176.49 43c9 s TYR 90 N 2.00 3.45 0.17 4.11 1.51 0.34 -0.23 117.35 128.70 43c9 s TYR 90 Ca 0.08 1.29 0.06 0.00 -1.01 0.00 0.00 57.07 57.49 43c9 s TYR 90 Cb -0.23 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.56 43c9 s TYR 90 CO 0.08 -0.21 -0.12 0.71 -1.11 0.00 0.00 175.55 174.90 43c9 s TYR 91 N 2.00 1.47 0.09 2.71 2.02 0.47 -1.37 117.35 124.75 43c9 s TYR 91 Ca 0.39 -0.67 0.09 0.00 -0.37 0.00 0.00 57.07 56.51 43c9 s TYR 91 Cb -0.17 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 43c9 s TYR 91 CO 0.14 0.21 -0.19 0.00 -1.57 0.00 0.00 175.55 174.13 43c9 s VAL 93 N -1.06 -0.05 -0.03 0.00 1.01 0.23 -1.70 120.40 118.80 43c9 s VAL 93 Ca 0.16 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.36 43c9 s VAL 93 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 43c9 s VAL 93 CO 0.08 0.08 -0.07 -0.94 0.00 0.00 0.00 175.10 174.25 43c9 s SER 94 N 1.01 4.63 -0.00 3.32 1.04 0.04 -0.34 113.70 123.41 43c9 s SER 94 Ca -0.08 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.30 43c9 s SER 94 Cb -0.12 -1.12 -0.01 0.00 0.10 0.00 0.00 66.02 64.87 43c9 s SER 94 CO -0.03 0.32 -0.12 -0.31 0.98 0.00 0.00 173.24 174.07 43c9 s TYR 95 N -0.91 1.10 0.00 5.02 1.51 -0.43 -0.95 117.35 122.69 43c9 s TYR 95 Ca 0.15 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 43c9 s TYR 95 Cb -0.11 -0.70 0.00 0.00 -0.11 0.00 0.00 41.96 41.04 43c9 s TYR 95 CO 0.05 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.88 43c9 n GLY 96 N 2.64 2.05 3.99 0.71 0.00 -0.40 -1.03 105.19 113.15 43c9 n GLY 96 Ca -0.15 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 43c9 n GLY 96 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 43c9 s TYR 97 N -2.00 3.02 0.00 1.61 2.02 -1.26 -4.41 117.35 116.33 43c9 s TYR 97 Ca 0.00 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 43c9 s TYR 97 Cb 0.00 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 43c9 s TYR 97 CO 0.00 -0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.14 43c9 n GLY 98 N -1.83 1.08 2.48 0.71 0.00 -1.26 -4.98 105.19 101.40 43c9 n GLY 98 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 43c9 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 43c9 n GLY 99 N -1.63 3.53 0.09 -0.02 0.00 -1.26 -4.99 105.19 100.91 43c9 n GLY 99 Ca 0.00 -2.12 0.15 0.00 0.00 0.00 0.00 46.02 44.05 43c9 n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 43c9 n ASP 100 N -1.57 0.35 -3.91 1.61 8.00 -1.26 -4.77 116.55 114.99 43c9 n ASP 100 Ca -0.07 -0.62 -0.10 0.00 0.71 0.00 0.00 54.79 54.71 43c9 n ASP 100 Cb 0.45 -0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.34 43c9 n ASP 100 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 43c9 s ARG 100 N -2.38 0.33 0.07 -1.24 0.52 -1.26 -5.05 118.95 109.95 43c9 s ARG 100 Ca 0.33 -0.40 0.07 0.00 -0.52 0.00 0.00 55.73 55.21 43c9 s ARG 100 Cb 0.21 0.13 -0.22 0.00 0.52 0.00 0.00 34.95 35.58 43c9 s ARG 100 CO 0.44 -0.07 1.11 0.35 0.02 0.00 0.00 175.30 177.16 43c9 h PHE 100 N 4.77 0.07 -3.94 -0.53 3.57 -1.86 -3.45 116.94 115.57 43c9 h PHE 100 Ca -0.30 -0.05 -0.20 0.00 3.53 0.00 0.00 57.97 60.95 43c9 h PHE 100 Cb 1.20 -0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.79 43c9 h PHE 100 CO 0.59 1.05 -0.69 -1.54 -2.23 0.00 0.00 178.31 175.48 43c9 s SER 101 N -6.63 0.94 -0.08 0.41 1.04 -1.25 -1.28 113.70 106.85 43c9 s SER 101 Ca -0.01 -0.98 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 43c9 s SER 101 Cb 0.09 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.37 43c9 s SER 101 CO 0.83 -0.49 0.04 -0.31 0.98 0.00 0.00 173.24 174.29 43c9 s TYR 102 N -3.57 0.39 -0.20 5.02 2.02 -0.12 -4.96 117.35 115.93 43c9 s TYR 102 Ca 0.09 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 43c9 s TYR 102 Cb 0.05 -0.67 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 43c9 s TYR 102 CO -0.06 -0.31 0.22 -0.46 -1.57 0.00 0.00 175.55 173.38 43c9 s TRP 103 N 2.06 3.39 1.25 2.71 -0.11 -1.26 -0.78 118.94 126.21 43c9 s TRP 103 Ca 0.04 0.42 -0.21 0.00 1.22 0.00 0.00 56.10 57.57 43c9 s TRP 103 Cb -0.13 -2.30 0.32 0.00 -1.50 0.00 0.00 33.47 29.87 43c9 s TRP 103 CO -0.05 0.17 0.81 0.41 -4.62 0.00 0.00 176.95 173.68 43c9 n GLY 104 N 3.75 -3.65 0.15 5.86 0.00 -0.69 -4.85 105.19 105.76 43c9 n GLY 104 Ca -0.13 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 43c9 n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 43c9 h GLN 105 N 0.00 0.47 0.00 1.61 4.20 -1.83 -3.48 115.11 116.09 43c9 h GLN 105 Ca -0.35 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 57.79 43c9 h GLN 105 Cb 1.16 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.11 43c9 h GLN 105 CO 0.22 1.21 0.00 0.41 -0.67 0.00 0.00 178.83 180.00 43c9 n GLY 106 N 1.24 2.22 2.77 3.46 0.00 -1.26 -5.04 105.19 108.57 43c9 n GLY 106 Ca -0.12 -1.96 -0.17 0.00 0.00 0.00 0.00 46.02 43.78 43c9 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 43c9 s THR 107 N -2.69 0.04 -0.03 2.61 -1.32 -0.47 -4.61 115.64 109.17 43c9 s THR 107 Ca 0.00 0.20 -0.23 0.00 -1.21 0.00 0.00 61.69 60.44 43c9 s THR 107 Cb 0.00 -0.18 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 43c9 s THR 107 CO 0.00 0.13 0.70 -0.22 -2.21 0.00 0.00 174.62 173.02 43c9 s LEU 108 N 1.25 4.36 -0.21 9.08 2.96 -1.26 -0.51 118.68 134.35 43c9 s LEU 108 Ca -0.07 1.24 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 43c9 s LEU 108 Cb -0.13 -3.09 0.00 0.00 0.50 0.00 0.00 46.19 43.47 43c9 s LEU 108 CO -0.03 -0.05 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.17 43c9 s VAL 109 N 0.45 2.95 -0.43 1.68 1.01 0.70 -3.95 120.40 122.81 43c9 s VAL 109 Ca 0.37 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.72 43c9 s VAL 109 Cb -0.18 -2.33 0.12 0.00 0.00 0.00 0.00 36.38 33.98 43c9 s VAL 109 CO 0.19 0.44 0.16 -0.89 0.00 0.00 0.00 175.10 175.00 43c9 s THR 110 N 1.41 2.45 -0.13 3.92 2.01 0.12 -1.06 115.64 124.36 43c9 s THR 110 Ca 0.05 -2.86 -0.25 0.00 0.31 0.00 0.00 61.69 58.94 43c9 s THR 110 Cb -0.14 -2.75 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 43c9 s THR 110 CO -0.06 -0.71 0.78 -0.69 -0.69 0.00 0.00 174.62 173.26 43c9 s VAL 111 N 0.27 4.94 0.00 3.82 1.01 -1.26 -1.01 120.40 128.18 43c9 s VAL 111 Ca 0.14 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.68 43c9 s VAL 111 Cb -0.23 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.05 43c9 s VAL 111 CO -0.04 0.10 0.00 -1.54 0.00 0.00 0.00 175.10 173.63