#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hst s VAL 1 N 0.00 -0.13 0.07 -3.33 0.11 -1.26 -4.96 120.40 110.89 3hst s VAL 1 Ca 0.00 0.39 -0.27 0.00 -2.93 0.00 0.00 61.98 59.16 3hst s VAL 1 Cb 0.00 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.60 3hst s VAL 1 CO 0.00 0.15 0.86 -0.75 -3.33 0.00 0.00 175.10 172.02 3hst s LYS 2 N 2.19 4.58 0.11 1.54 2.20 -1.26 -1.21 119.74 127.89 3hst s LYS 2 Ca 0.05 1.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.93 3hst s LYS 2 Cb -0.12 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3hst s LYS 2 CO -0.04 0.23 -0.10 0.14 -0.36 0.00 0.00 175.35 175.22 3hst s VAL 3 N 0.03 1.02 -0.14 4.02 -7.23 0.72 -3.13 120.40 115.70 3hst s VAL 3 Ca 0.43 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.78 3hst s VAL 3 Cb -0.22 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3hst s VAL 3 CO 0.26 -0.60 0.09 -0.69 -0.31 0.00 0.00 175.10 173.86 3hst s VAL 4 N -2.65 5.10 -0.20 1.32 1.01 -0.44 -1.45 120.40 123.08 3hst s VAL 4 Ca 0.09 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3hst s VAL 4 Cb -0.02 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3hst s VAL 4 CO 0.00 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 3hst s ILE 5 N -0.44 2.05 -0.12 2.22 1.01 0.12 -0.55 121.20 125.49 3hst s ILE 5 Ca 0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.66 3hst s ILE 5 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3hst s ILE 5 CO 0.02 0.40 -0.03 -1.61 0.00 0.00 0.00 174.94 173.72 3hst s GLU 6 N 1.26 3.29 0.02 2.79 2.02 -0.44 0.17 118.70 127.81 3hst s GLU 6 Ca 0.02 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 3hst s GLU 6 Cb -0.15 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3hst s GLU 6 CO -0.11 0.47 -0.01 0.00 0.02 0.00 0.00 175.26 175.63 3hst s ALA 7 N -0.26 0.07 0.12 5.21 0.00 -0.91 -1.21 121.76 124.79 3hst s ALA 7 Ca 0.05 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.30 3hst s ALA 7 Cb -0.13 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.18 3hst s ALA 7 CO 0.02 -0.16 0.45 0.34 0.00 0.00 0.00 175.76 176.41 3hst s ASP 8 N -1.42 -0.32 0.10 0.00 2.15 -0.62 -4.37 116.67 112.19 3hst s ASP 8 Ca -0.16 -0.20 -0.26 0.00 0.43 0.00 0.00 52.55 52.37 3hst s ASP 8 Cb -0.10 0.50 0.08 0.00 -0.30 0.00 0.00 42.92 43.10 3hst s ASP 8 CO -0.01 -0.86 0.84 -0.83 -0.17 0.00 0.00 175.17 174.14 3hst s GLY 9 N -2.70 -0.38 0.15 2.66 0.00 -1.26 -1.15 107.32 104.64 3hst s GLY 9 Ca 0.02 0.50 -0.24 0.00 0.00 0.00 0.00 44.72 45.00 3hst s GLY 9 CO -0.11 0.15 1.04 -0.32 0.00 0.00 0.00 173.10 173.86 3hst s GLY 10 N -2.72 -0.06 0.15 0.20 0.00 -0.35 -4.24 107.32 100.30 3hst s GLY 10 Ca 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.73 3hst s GLY 10 CO -0.04 1.41 -0.00 -1.35 0.00 0.00 0.00 173.10 173.12 3hst s SER 11 N -3.21 1.02 -0.53 1.64 1.04 -1.26 -1.69 113.70 110.71 3hst s SER 11 Ca 0.18 -1.14 -0.10 0.00 0.48 0.00 0.00 55.95 55.37 3hst s SER 11 Cb -0.01 0.15 0.13 0.00 0.10 0.00 0.00 66.02 66.39 3hst s SER 11 CO 0.03 -0.58 0.42 -0.13 0.98 0.00 0.00 173.24 173.97 3hst s ARG 12 N -3.92 2.68 0.00 4.02 1.81 -0.57 -4.44 118.95 118.53 3hst s ARG 12 Ca 0.21 -1.88 0.00 0.00 -1.72 0.00 0.00 55.73 52.34 3hst s ARG 12 Cb 0.06 -4.02 0.00 0.00 -0.45 0.00 0.00 34.95 30.54 3hst s ARG 12 CO 0.01 -1.23 0.00 0.41 -0.68 0.00 0.00 175.30 173.82 3hst n GLY 13 N 4.77 1.44 3.84 -3.53 0.00 -1.26 -3.58 105.19 106.87 3hst n GLY 13 Ca -0.06 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 3hst n GLY 13 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hst n ASN 14 N 0.01 -4.82 -4.91 1.61 5.15 -1.26 -4.57 115.26 106.47 3hst n ASN 14 Ca 0.00 -1.04 -0.21 0.00 -0.60 0.00 0.00 54.58 52.73 3hst n ASN 14 Cb 0.00 -2.07 0.06 0.00 -0.53 0.00 0.00 39.78 37.24 3hst n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3hst s PRO 15 N -5.86 2.25 0.00 1.20 0.04 -1.26 -4.83 135.00 126.54 3hst s PRO 15 Ca 0.23 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 60.04 3hst s PRO 15 Cb -0.12 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3hst s PRO 15 CO 0.91 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 177.45 3hst n GLY 16 N -2.38 -1.46 3.67 0.56 0.00 -0.94 -4.86 105.19 99.78 3hst n GLY 16 Ca 0.13 -1.01 -0.53 0.00 0.00 0.00 0.00 46.02 44.60 3hst n GLY 16 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hst n PRO 17 N -0.13 1.45 -4.46 1.61 -0.02 -1.23 -0.75 135.00 131.47 3hst n PRO 17 Ca 0.00 0.53 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 3hst n PRO 17 Cb 0.00 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 3hst n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hst s ALA 18 N 2.57 2.40 0.16 3.55 0.00 -0.54 -1.50 121.76 128.40 3hst s ALA 18 Ca 0.92 -2.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 3hst s ALA 18 Cb -0.93 0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.88 3hst s ALA 18 CO 0.55 -0.30 0.86 0.20 0.00 0.00 0.00 175.76 177.07 3hst s GLY 19 N -3.50 -0.26 0.08 0.00 0.00 -0.68 -0.69 107.32 102.27 3hst s GLY 19 Ca 0.36 0.17 -0.17 0.00 0.00 0.00 0.00 44.72 45.08 3hst s GLY 19 CO 0.16 0.04 0.41 -2.52 0.00 0.00 0.00 173.10 171.18 3hst s TYR 20 N -3.46 -0.23 0.05 1.90 1.13 -0.74 -1.21 117.35 114.79 3hst s TYR 20 Ca 0.10 0.06 0.01 0.00 -1.41 0.00 0.00 57.07 55.83 3hst s TYR 20 Cb -0.02 0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 3hst s TYR 20 CO 0.01 -0.63 -0.06 0.20 -2.51 0.00 0.00 175.55 172.56 3hst s GLY 21 N -2.38 0.50 -0.04 5.49 0.00 -0.30 -1.29 107.32 109.29 3hst s GLY 21 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.69 3hst s GLY 21 CO -0.07 -1.01 0.21 0.00 0.00 0.00 0.00 173.10 172.24 3hst s ALA 22 N -2.31 -0.53 -0.03 3.20 0.00 0.33 -1.58 121.76 120.84 3hst s ALA 22 Ca -0.04 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 3hst s ALA 22 Cb -0.04 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.00 3hst s ALA 22 CO -0.03 -0.17 0.06 0.08 0.00 0.00 0.00 175.76 175.70 3hst s VAL 23 N -0.69 -0.07 -0.20 0.00 1.01 -0.35 0.07 120.40 120.17 3hst s VAL 23 Ca -0.08 0.25 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 3hst s VAL 23 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 3hst s VAL 23 CO 0.02 0.10 -0.03 -0.69 0.00 0.00 0.00 175.10 174.50 3hst s VAL 24 N 1.30 3.66 0.20 2.92 1.01 -0.47 -1.32 120.40 127.70 3hst s VAL 24 Ca -0.07 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3hst s VAL 24 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3hst s VAL 24 CO -0.04 0.44 -0.07 0.26 0.00 0.00 0.00 175.10 175.70 3hst s TRP 25 N 1.03 2.66 0.88 5.22 0.52 0.28 -0.21 118.94 129.32 3hst s TRP 25 Ca 0.01 -0.21 -0.12 0.00 0.02 0.00 0.00 56.10 55.79 3hst s TRP 25 Cb -0.15 -1.27 0.07 0.00 -1.15 0.00 0.00 33.47 30.98 3hst s TRP 25 CO 0.01 0.54 0.85 0.25 0.02 0.00 0.00 176.95 178.62 3hst n THR 26 N -0.19 0.70 -0.35 2.01 -2.24 -0.75 -1.33 114.28 112.13 3hst n THR 26 Ca -0.10 -0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.64 3hst n THR 26 Cb 0.56 -0.90 0.29 0.00 -2.10 0.00 0.00 70.33 68.19 3hst n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hst h ALA 27 N -1.38 1.59 0.00 6.98 0.00 -1.87 -0.62 119.26 123.96 3hst h ALA 27 Ca -0.44 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hst h ALA 27 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hst h ALA 27 CO 0.40 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 3hst n ASP 28 N -4.75 0.00 -1.04 0.00 5.68 -1.26 -4.76 116.55 110.42 3hst n ASP 28 Ca 0.22 -0.58 -0.10 0.00 -0.50 0.00 0.00 54.79 53.82 3hst n ASP 28 Cb 0.51 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.36 3hst n ASP 28 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3hst n HIS 29 N -1.11 -0.31 0.01 2.11 -0.00 -0.24 -4.90 115.22 110.78 3hst n HIS 29 Ca 0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.91 3hst n HIS 29 Cb 0.14 -2.29 -0.11 0.00 -0.00 0.00 0.00 29.99 27.73 3hst n HIS 29 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3hst n SER 30 N 0.13 0.54 -3.96 0.26 3.41 -1.26 -4.96 113.62 107.78 3hst n SER 30 Ca -0.12 0.24 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 3hst n SER 30 Cb 0.50 0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 65.00 3hst n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hst s THR 31 N -2.99 0.28 -0.40 6.66 2.01 -1.26 -5.03 115.64 114.91 3hst s THR 31 Ca -0.05 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 3hst s THR 31 Cb 0.09 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.31 3hst s THR 31 CO 0.83 -0.15 0.50 0.68 -0.69 0.00 0.00 174.62 175.79 3hst s VAL 32 N -0.64 5.01 0.05 3.82 -7.23 -1.26 -1.82 120.40 118.33 3hst s VAL 32 Ca -0.05 -0.01 0.13 0.00 -1.81 0.00 0.00 61.98 60.24 3hst s VAL 32 Cb -0.05 -4.04 -0.02 0.00 0.56 0.00 0.00 36.38 32.83 3hst s VAL 32 CO -0.00 -0.38 1.47 -0.07 -0.31 0.00 0.00 175.10 175.81 3hst h LEU 33 N 9.19 0.00 -7.87 1.32 3.38 -0.92 -3.48 115.31 116.93 3hst h LEU 33 Ca -0.27 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.84 3hst h LEU 33 Cb 1.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3hst h LEU 33 CO 0.80 0.65 0.51 0.00 0.09 0.00 0.00 178.44 180.49 3hst s ALA 34 N -3.09 -1.50 -0.01 1.53 0.00 -1.15 -4.99 121.76 112.56 3hst s ALA 34 Ca 0.02 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 3hst s ALA 34 Cb 0.10 0.71 0.10 0.00 0.00 0.00 0.00 23.12 24.03 3hst s ALA 34 CO 0.76 -1.05 0.96 -1.83 0.00 0.00 0.00 175.76 174.60 3hst s GLU 35 N -2.52 0.78 -0.11 0.00 -1.05 -1.26 -1.36 118.70 113.17 3hst s GLU 35 Ca 0.18 -0.32 -0.09 0.00 -0.15 0.00 0.00 54.97 54.59 3hst s GLU 35 Cb -0.03 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.03 3hst s GLU 35 CO 0.05 -0.34 0.28 -1.54 0.95 0.00 0.00 175.26 174.66 3hst s SER 36 N -2.52 -0.30 -0.17 0.83 1.04 0.11 -4.94 113.70 107.75 3hst s SER 36 Ca 0.07 0.58 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 3hst s SER 36 Cb -0.01 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.74 3hst s SER 36 CO -0.07 -0.11 0.12 -0.75 0.98 0.00 0.00 173.24 173.41 3hst s LYS 37 N 0.36 0.09 -0.08 4.02 2.20 -1.26 -0.51 119.74 124.56 3hst s LYS 37 Ca -0.02 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.61 3hst s LYS 37 Cb -0.03 -1.63 0.02 0.00 -1.51 0.00 0.00 37.83 34.67 3hst s LYS 37 CO -0.01 -0.65 -0.10 -1.14 -0.36 0.00 0.00 175.35 173.08 3hst s GLN 38 N 2.19 1.58 0.42 4.03 2.00 -0.41 -4.99 119.66 124.48 3hst s GLN 38 Ca 0.03 -0.34 -0.25 0.00 -2.00 0.00 0.00 55.36 52.81 3hst s GLN 38 Cb -0.16 -1.43 -0.08 0.00 0.80 0.00 0.00 33.01 32.14 3hst s GLN 38 CO -0.10 -0.08 1.21 0.00 -0.50 0.00 0.00 175.29 175.83 3hst s ALA 39 N 1.04 3.12 -0.05 1.58 0.00 -1.26 -1.79 121.76 124.40 3hst s ALA 39 Ca -0.08 1.05 0.02 0.00 0.00 0.00 0.00 51.96 52.96 3hst s ALA 39 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3hst s ALA 39 CO -0.01 -0.69 -0.10 0.96 0.00 0.00 0.00 175.76 175.93 3hst s ILE 40 N -1.39 0.95 0.44 0.00 -4.36 0.13 -4.92 121.20 112.05 3hst s ILE 40 Ca 0.59 -0.39 0.23 0.00 -0.26 0.00 0.00 60.65 60.82 3hst s ILE 40 Cb -0.33 -0.88 0.43 0.00 1.25 0.00 0.00 42.46 42.93 3hst s ILE 40 CO 0.41 0.31 1.79 1.23 0.24 0.00 0.00 174.94 178.92 3hst h GLY 41 N 6.89 0.89 -5.47 6.27 0.00 -1.92 -1.44 103.07 108.30 3hst h GLY 41 Ca -0.33 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 46.91 3hst h GLY 41 CO 0.48 -0.10 0.21 -1.60 0.00 0.00 0.00 176.54 175.53 3hst s ARG 42 N -5.35 0.54 -0.19 4.80 3.52 -1.25 -3.68 118.95 117.34 3hst s ARG 42 Ca -0.08 0.93 -0.28 0.00 -0.13 0.00 0.00 55.73 56.17 3hst s ARG 42 Cb 0.25 0.11 0.11 0.00 -1.56 0.00 0.00 34.95 33.86 3hst s ARG 42 CO 0.80 -0.11 0.92 0.00 -0.81 0.00 0.00 175.30 176.10 3hst s ALA 43 N 1.45 -1.90 0.92 6.12 0.00 0.07 -4.87 121.76 123.55 3hst s ALA 43 Ca -0.09 1.69 -0.11 0.00 0.00 0.00 0.00 51.96 53.45 3hst s ALA 43 Cb -0.04 -0.88 0.15 0.00 0.00 0.00 0.00 23.12 22.35 3hst s ALA 43 CO -0.17 -0.30 1.11 0.95 0.00 0.00 0.00 175.76 177.35 3hst s THR 44 N -0.51 2.40 0.18 0.00 -4.23 -1.26 -2.22 115.64 109.99 3hst s THR 44 Ca -0.02 0.13 -0.14 0.00 -1.18 0.00 0.00 61.69 60.49 3hst s THR 44 Cb -0.02 -2.31 0.07 0.00 1.34 0.00 0.00 72.50 71.58 3hst s THR 44 CO 0.00 -0.17 1.75 0.78 -0.54 0.00 0.00 174.62 176.44 3hst h ASN 45 N -1.80 0.16 0.12 3.99 -0.26 -1.89 -1.87 115.58 114.04 3hst h ASN 45 Ca -0.47 0.06 -0.05 0.00 -0.56 0.00 0.00 56.30 55.28 3hst h ASN 45 Cb 1.27 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 38.57 3hst h ASN 45 CO 0.47 0.12 -0.18 0.78 -1.06 0.00 0.00 177.43 177.56 3hst h ASN 46 N 0.33 0.11 0.07 5.81 2.35 -1.93 -1.23 115.58 121.08 3hst h ASN 46 Ca 0.22 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3hst h ASN 46 Cb 0.22 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3hst h ASN 46 CO -0.23 0.30 -0.03 0.58 -1.65 0.00 0.00 177.43 176.40 3hst h VAL 47 N 0.11 1.21 -0.89 2.81 2.07 -1.87 -2.45 116.25 117.24 3hst h VAL 47 Ca 0.02 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 66.57 3hst h VAL 47 Cb 0.38 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 3hst h VAL 47 CO 0.03 0.26 0.54 0.00 0.02 0.00 0.00 177.57 178.41 3hst h ALA 48 N 0.29 1.28 -0.50 1.67 0.00 -1.04 -1.46 119.26 119.50 3hst h ALA 48 Ca -0.01 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hst h ALA 48 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hst h ALA 48 CO 0.02 0.19 0.32 1.49 0.00 0.00 0.00 179.25 181.27 3hst h GLU 49 N 0.91 0.64 -0.46 0.00 4.57 -1.16 0.30 114.58 119.38 3hst h GLU 49 Ca 0.42 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.50 3hst h GLU 49 Cb 0.35 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3hst h GLU 49 CO -0.23 0.42 0.03 1.88 -1.18 0.00 0.00 179.01 179.93 3hst h TYR 50 N 0.66 0.86 -0.68 0.92 0.05 -0.94 -1.58 116.97 116.27 3hst h TYR 50 Ca 0.19 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.86 3hst h TYR 50 Cb -0.05 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.42 3hst h TYR 50 CO -0.05 0.82 0.45 0.00 -1.05 0.00 0.00 178.16 178.33 3hst h ARG 51 N 0.65 0.79 0.35 4.88 3.08 -0.97 0.35 114.38 123.51 3hst h ARG 51 Ca 0.13 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hst h ARG 51 Cb 0.46 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hst h ARG 51 CO 0.02 0.52 -0.21 0.78 -1.07 0.00 0.00 179.97 180.01 3hst h GLY 52 N 0.81 -0.56 0.46 0.04 0.00 -0.75 -0.93 103.07 102.14 3hst h GLY 52 Ca 0.27 0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.94 3hst h GLY 52 CO -0.08 -0.21 0.48 -2.00 0.00 0.00 0.00 176.54 174.73 3hst h LEU 53 N -0.54 0.67 -0.09 3.11 5.85 -0.24 -2.04 115.31 122.03 3hst h LEU 53 Ca -0.04 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hst h LEU 53 Cb 0.44 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3hst h LEU 53 CO 0.04 0.36 0.02 0.40 -0.34 0.00 0.00 178.44 178.92 3hst h ILE 54 N 0.78 1.20 -0.86 4.05 2.04 -0.25 -0.04 117.51 124.43 3hst h ILE 54 Ca 0.42 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.78 3hst h ILE 54 Cb 0.44 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 3hst h ILE 54 CO -0.27 0.17 0.49 0.00 0.00 0.00 0.00 178.15 178.54 3hst h ALA 55 N 0.81 1.24 0.10 1.87 0.00 -0.92 -1.12 119.26 121.23 3hst h ALA 55 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hst h ALA 55 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hst h ALA 55 CO 0.00 0.10 -0.22 0.78 0.00 0.00 0.00 179.25 179.91 3hst h GLY 56 N 0.81 -0.40 1.22 0.00 0.00 -1.13 0.02 103.07 103.58 3hst h GLY 56 Ca 0.42 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 48.01 3hst h GLY 56 CO -0.26 -0.20 0.46 1.41 0.00 0.00 0.00 176.54 177.95 3hst h LEU 57 N -0.41 0.92 -0.05 3.11 3.38 -0.69 -1.63 115.31 119.93 3hst h LEU 57 Ca 0.03 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3hst h LEU 57 Cb 0.44 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3hst h LEU 57 CO -0.13 0.71 -0.44 -0.78 0.09 0.00 0.00 178.44 177.88 3hst h ASP 58 N 1.06 0.48 -0.63 -0.43 3.58 -0.98 -1.67 116.42 117.83 3hst h ASP 58 Ca 0.28 -0.69 0.12 0.00 0.42 0.00 0.00 57.03 57.16 3hst h ASP 58 Cb -0.04 -0.14 -0.09 0.00 1.72 0.00 0.00 39.33 40.77 3hst h ASP 58 CO -0.05 1.10 0.15 0.44 -2.88 0.00 0.00 179.24 178.00 3hst h ASP 59 N -0.09 0.03 -0.24 2.28 5.19 -0.90 -1.21 116.42 121.47 3hst h ASP 59 Ca -0.04 0.12 -0.15 0.00 -0.62 0.00 0.00 57.03 56.33 3hst h ASP 59 Cb 1.12 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3hst h ASP 59 CO 0.09 0.01 -0.45 0.00 -3.12 0.00 0.00 179.24 175.78 3hst h ALA 60 N 1.50 0.38 0.09 3.45 0.00 -1.18 -2.04 119.26 121.47 3hst h ALA 60 Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hst h ALA 60 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hst h ALA 60 CO -0.42 0.52 -0.09 0.28 0.00 0.00 0.00 179.25 179.55 3hst h VAL 61 N 0.46 0.80 -0.16 0.00 2.07 -1.19 -0.02 116.25 118.22 3hst h VAL 61 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3hst h VAL 61 Cb 1.05 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3hst h VAL 61 CO 0.10 0.00 0.08 0.11 0.02 0.00 0.00 177.57 177.88 3hst h LYS 62 N -0.20 0.21 -0.00 1.57 1.57 -1.09 -0.75 116.57 117.89 3hst h LYS 62 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hst h LYS 62 Cb 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hst h LYS 62 CO -0.02 0.16 -0.19 1.47 -0.57 0.00 0.00 179.45 180.30 3hst n LEU 63 N -4.49 0.32 0.00 2.94 -0.00 -0.78 -4.94 117.00 110.05 3hst n LEU 63 Ca -0.01 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 3hst n LEU 63 Cb 0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.21 3hst n LEU 63 CO 0.35 0.07 0.00 0.61 -0.00 0.00 0.00 177.39 178.42 3hst n GLY 64 N 1.43 1.84 3.77 1.47 0.00 -0.29 -5.06 105.19 108.34 3hst n GLY 64 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3hst n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hst s ALA 65 N -2.00 3.30 -0.03 4.61 0.00 -0.09 -4.65 121.76 122.89 3hst s ALA 65 Ca 0.00 0.91 0.15 0.00 0.00 0.00 0.00 51.96 53.02 3hst s ALA 65 Cb 0.00 -3.34 -0.23 0.00 0.00 0.00 0.00 23.12 19.55 3hst s ALA 65 CO 0.00 -0.30 0.33 0.25 0.00 0.00 0.00 175.76 176.04 3hst n THR 66 N 0.66 0.00 -3.74 0.00 -2.24 -0.35 -4.74 114.28 103.87 3hst n THR 66 Ca 0.01 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3hst n THR 66 Cb 0.46 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 3hst n THR 66 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3hst s GLU 67 N -3.01 0.29 -0.03 -0.78 2.12 -0.74 -0.65 118.70 115.91 3hst s GLU 67 Ca -0.05 0.51 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 3hst s GLU 67 Cb 0.09 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.52 3hst s GLU 67 CO 0.61 -0.11 0.07 0.00 -0.54 0.00 0.00 175.26 175.29 3hst s ALA 68 N 0.78 -0.14 -0.19 6.30 0.00 -0.98 -0.20 121.76 127.33 3hst s ALA 68 Ca -0.05 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 3hst s ALA 68 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3hst s ALA 68 CO -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 175.76 175.68 3hst s ALA 69 N 0.28 3.14 -0.16 0.00 0.00 -0.53 -1.30 121.76 123.18 3hst s ALA 69 Ca -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 3hst s ALA 69 Cb -0.03 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 3hst s ALA 69 CO -0.01 -0.03 0.01 0.08 0.00 0.00 0.00 175.76 175.81 3hst s VAL 70 N 0.78 4.32 -0.11 0.00 1.01 0.81 0.15 120.40 127.37 3hst s VAL 70 Ca 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3hst s VAL 70 Cb -0.14 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3hst s VAL 70 CO 0.02 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 3hst s LEU 71 N 0.28 1.85 0.12 3.92 1.02 0.13 -1.09 118.68 124.91 3hst s LEU 71 Ca 0.00 -0.46 -0.07 0.00 0.02 0.00 0.00 54.13 53.61 3hst s LEU 71 Cb -0.13 -1.17 -0.01 0.00 0.02 0.00 0.00 46.19 44.90 3hst s LEU 71 CO 0.02 0.06 0.20 -0.04 0.02 0.00 0.00 176.35 176.60 3hst s MET 72 N 0.79 0.97 0.00 1.70 -1.94 -0.93 -2.15 119.30 117.73 3hst s MET 72 Ca -0.10 -1.13 0.17 0.00 -1.71 0.00 0.00 55.69 52.92 3hst s MET 72 Cb -0.16 0.34 0.29 0.00 2.01 0.00 0.00 34.83 37.31 3hst s MET 72 CO 0.01 -0.32 1.21 -0.40 -0.01 0.00 0.00 175.02 175.51 3hst n ASP 73 N -0.12 2.89 -4.54 3.03 5.68 -1.25 -1.33 116.55 120.91 3hst n ASP 73 Ca -0.11 -1.85 -0.43 0.00 -0.50 0.00 0.00 54.79 51.91 3hst n ASP 73 Cb 0.63 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 3hst n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3hst s SER 74 N -1.25 6.40 0.19 -1.12 0.15 -1.26 -4.89 113.70 111.92 3hst s SER 74 Ca 0.27 -0.13 -0.09 0.00 0.70 0.00 0.00 55.95 56.70 3hst s SER 74 Cb 0.16 -2.46 0.10 0.00 -1.71 0.00 0.00 66.02 62.11 3hst s SER 74 CO 0.23 -1.24 1.69 0.50 1.20 0.00 0.00 173.24 175.62 3hst h LYS 75 N 9.30 1.13 -0.09 5.44 1.63 -1.97 -2.27 116.57 129.74 3hst h LYS 75 Ca -0.25 -0.30 -0.00 0.00 -0.85 0.00 0.00 60.65 59.24 3hst h LYS 75 Cb 1.07 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.57 3hst h LYS 75 CO 1.09 1.03 0.05 1.25 -3.45 0.00 0.00 179.45 179.42 3hst h LEU 76 N 1.05 0.11 -0.14 5.20 7.12 -1.99 -0.91 115.31 125.76 3hst h LEU 76 Ca 0.21 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 3hst h LEU 76 Cb 0.45 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 3hst h LEU 76 CO 0.01 0.19 0.07 0.58 -0.13 0.00 0.00 178.44 179.16 3hst h VAL 77 N 0.04 1.11 -0.44 1.05 2.07 -1.94 -1.69 116.25 116.45 3hst h VAL 77 Ca 0.03 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3hst h VAL 77 Cb 0.10 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3hst h VAL 77 CO -0.00 0.10 0.26 0.58 0.02 0.00 0.00 177.57 178.53 3hst h VAL 78 N 0.10 1.15 -0.53 2.57 2.07 -1.39 0.18 116.25 120.40 3hst h VAL 78 Ca 0.05 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3hst h VAL 78 Cb 0.11 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3hst h VAL 78 CO -0.01 0.16 -0.05 -0.33 0.02 0.00 0.00 177.57 177.36 3hst h GLU 79 N 0.59 0.95 0.22 1.57 4.39 -1.12 -1.26 114.58 119.92 3hst h GLU 79 Ca 0.16 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3hst h GLU 79 Cb 0.03 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hst h GLU 79 CO -0.03 0.97 -0.11 1.96 -1.16 0.00 0.00 179.01 180.65 3hst h GLN 80 N 0.87 -0.29 -0.57 2.33 4.20 -1.12 0.17 115.11 120.70 3hst h GLN 80 Ca 0.15 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.97 3hst h GLN 80 Cb 0.58 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 3hst h GLN 80 CO 0.04 0.04 0.38 0.52 -0.67 0.00 0.00 178.83 179.14 3hst h MET 81 N -0.65 0.37 -0.00 1.46 2.86 -0.90 -0.53 114.93 117.53 3hst h MET 81 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3hst h MET 81 Cb 0.46 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3hst h MET 81 CO 0.05 0.24 -0.05 0.43 1.06 0.00 0.00 176.91 178.64 3hst n SER 82 N -4.47 0.28 0.00 1.22 7.64 -0.48 -4.89 113.62 112.92 3hst n SER 82 Ca 0.09 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.42 3hst n SER 82 Cb 0.37 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3hst n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hst n GLY 83 N 1.23 0.63 1.81 0.23 0.00 -0.21 -4.96 105.19 103.91 3hst n GLY 83 Ca 0.16 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 3hst n GLY 83 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hst n ARG 84 N -2.72 2.45 -3.63 1.61 1.85 0.53 -4.83 116.66 111.92 3hst n ARG 84 Ca 0.00 -3.37 -0.09 0.00 -1.00 0.00 0.00 57.85 53.39 3hst n ARG 84 Cb 0.00 -2.09 -0.07 0.00 -1.05 0.00 0.00 32.46 29.26 3hst n ARG 84 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3hst s TRP 85 N -3.47 -0.43 -0.32 2.89 0.52 -0.91 -4.73 118.94 112.49 3hst s TRP 85 Ca 0.53 1.00 -0.10 0.00 0.02 0.00 0.00 56.10 57.55 3hst s TRP 85 Cb 0.45 0.39 -0.00 0.00 -1.15 0.00 0.00 33.47 33.15 3hst s TRP 85 CO 0.02 -0.24 0.16 0.21 0.02 0.00 0.00 176.95 177.13 3hst s LYS 86 N -0.04 3.30 -0.03 4.98 2.47 -1.26 -4.26 119.74 124.90 3hst s LYS 86 Ca 0.03 -0.75 -0.30 0.00 -1.56 0.00 0.00 55.97 53.39 3hst s LYS 86 Cb -0.04 -3.59 -0.05 0.00 -1.46 0.00 0.00 37.83 32.69 3hst s LYS 86 CO -0.05 -0.44 1.39 0.54 0.16 0.00 0.00 175.35 176.95 3hst s VAL 87 N 1.61 3.82 -0.27 4.02 0.11 -1.26 -4.92 120.40 123.51 3hst s VAL 87 Ca 0.04 1.16 -0.14 0.00 -2.93 0.00 0.00 61.98 60.11 3hst s VAL 87 Cb -0.17 -3.75 -0.12 0.00 -1.53 0.00 0.00 36.38 30.82 3hst s VAL 87 CO 0.06 -0.02 -0.36 0.29 -3.33 0.00 0.00 175.10 171.74 3hst n LYS 88 N 5.67 0.58 -3.09 1.54 4.01 -1.26 -4.87 118.16 120.74 3hst n LYS 88 Ca 0.13 0.26 -0.34 0.00 -0.51 0.00 0.00 58.31 57.85 3hst n LYS 88 Cb 0.44 -1.48 -0.06 0.00 -0.51 0.00 0.00 35.03 33.42 3hst n LYS 88 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3hst s HIS 89 N -2.52 3.47 0.31 2.13 3.76 -1.26 -4.90 115.29 116.27 3hst s HIS 89 Ca -0.38 1.33 0.10 0.00 -0.15 0.00 0.00 55.06 55.96 3hst s HIS 89 Cb 0.14 -2.60 0.49 0.00 1.11 0.00 0.00 32.58 31.72 3hst s HIS 89 CO 0.48 0.17 1.69 -1.35 -0.85 0.00 0.00 174.74 174.88 3hst h PRO 90 N 2.66 0.04 -0.20 8.40 0.11 -1.99 -0.76 132.00 140.26 3hst h PRO 90 Ca -0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3hst h PRO 90 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hst h PRO 90 CO 0.65 0.54 -0.24 0.38 -0.21 0.00 0.00 178.00 179.13 3hst h ASP 91 N 0.03 0.56 0.14 -2.05 2.03 -2.01 -2.79 116.42 112.33 3hst h ASP 91 Ca -0.00 -0.49 -0.01 0.00 -0.73 0.00 0.00 57.03 55.80 3hst h ASP 91 Cb 0.91 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 3hst h ASP 91 CO 0.07 0.94 -0.07 -0.07 -1.03 0.00 0.00 179.24 179.08 3hst h LEU 92 N 0.19 -0.16 -0.15 0.15 3.38 -1.92 -3.20 115.31 113.60 3hst h LEU 92 Ca 0.03 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3hst h LEU 92 Cb 0.80 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3hst h LEU 92 CO 0.06 0.10 -0.09 -0.11 0.09 0.00 0.00 178.44 178.49 3hst n LEU 93 N -5.06 -0.16 -0.29 1.67 7.94 -0.31 -0.44 117.00 120.35 3hst n LEU 93 Ca -0.09 1.07 0.01 0.00 -1.11 0.00 0.00 56.01 55.89 3hst n LEU 93 Cb 0.19 -0.43 0.06 0.00 0.53 0.00 0.00 43.42 43.76 3hst n LEU 93 CO 0.33 -0.62 0.47 0.29 -1.11 0.00 0.00 177.39 176.74 3hst n LYS 94 N -3.31 -0.14 -0.12 1.96 5.02 -1.06 -0.52 118.16 119.99 3hst n LYS 94 Ca 0.00 1.18 -0.11 0.00 -2.02 0.00 0.00 58.31 57.35 3hst n LYS 94 Cb 0.04 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.28 3hst n LYS 94 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3hst h LEU 95 N 0.00 0.72 -0.28 -0.35 3.38 -0.87 -0.33 115.31 117.58 3hst h LEU 95 Ca 0.30 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hst h LEU 95 Cb 0.49 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3hst h LEU 95 CO -0.77 0.94 0.09 0.22 0.09 0.00 0.00 178.44 179.01 3hst h TYR 96 N 0.50 0.17 -0.48 1.13 3.20 0.12 0.18 116.97 121.79 3hst h TYR 96 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3hst h TYR 96 Cb 0.63 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3hst h TYR 96 CO 0.05 0.07 0.23 0.28 -1.64 0.00 0.00 178.16 177.16 3hst h VAL 97 N 0.22 1.19 -0.51 1.81 2.07 -0.68 0.63 116.25 120.98 3hst h VAL 97 Ca 0.12 -0.54 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hst h VAL 97 Cb 0.09 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3hst h VAL 97 CO -0.13 0.21 0.22 -0.61 0.02 0.00 0.00 177.57 177.28 3hst h GLN 98 N 0.64 0.41 -0.39 1.57 4.15 -0.77 -0.50 115.11 120.22 3hst h GLN 98 Ca 0.17 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.43 3hst h GLN 98 Cb 0.12 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3hst h GLN 98 CO -0.02 0.27 -0.28 0.00 -1.93 0.00 0.00 178.83 176.87 3hst h ALA 99 N 1.31 0.56 -0.79 3.38 0.00 -0.55 -2.93 119.26 120.24 3hst h ALA 99 Ca 0.24 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.83 3hst h ALA 99 Cb 0.21 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3hst h ALA 99 CO -0.21 0.58 0.52 1.96 0.00 0.00 0.00 179.25 182.10 3hst h GLN 100 N 0.69 0.72 -0.04 0.00 1.08 -0.57 -0.68 115.11 116.30 3hst h GLN 100 Ca 0.08 -0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 57.05 3hst h GLN 100 Cb 0.86 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3hst h GLN 100 CO 0.07 0.48 -0.78 0.00 -0.95 0.00 0.00 178.83 177.66 3hst h ALA 101 N 1.60 0.59 -0.34 3.87 0.00 -1.00 -1.86 119.26 122.13 3hst h ALA 101 Ca 0.36 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3hst h ALA 101 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hst h ALA 101 CO -0.14 0.81 -0.37 -0.07 0.00 0.00 0.00 179.25 179.48 3hst h LEU 102 N 0.20 0.85 -1.04 0.00 3.38 -1.27 -3.19 115.31 114.24 3hst h LEU 102 Ca -0.04 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3hst h LEU 102 Cb 1.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3hst h LEU 102 CO 0.13 1.12 -0.18 0.00 0.09 0.00 0.00 178.44 179.59 3hst h ALA 103 N 0.92 1.00 0.00 1.53 0.00 -1.05 -2.72 119.26 118.93 3hst h ALA 103 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hst h ALA 103 Cb 0.93 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hst h ALA 103 CO 0.09 0.23 0.00 0.66 0.00 0.00 0.00 179.25 180.23 3hst h SER 104 N 0.00 0.00 1.69 0.00 4.64 -1.32 -2.77 113.55 115.79 3hst h SER 104 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hst h SER 104 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3hst h SER 104 CO 0.02 0.00 -0.10 1.56 -0.87 0.00 0.00 176.83 177.44 3hst h GLN 105 N 0.00 0.00 -6.62 4.77 4.20 -1.58 -3.44 115.11 112.43 3hst h GLN 105 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 3hst h GLN 105 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3hst h GLN 105 CO 0.00 0.00 0.23 -0.06 -0.67 0.00 0.00 178.83 178.33 3hst s PHE 106 N -3.18 3.88 0.36 2.96 0.08 -1.05 -4.97 117.98 116.06 3hst s PHE 106 Ca 0.08 1.70 0.06 0.00 0.12 0.00 0.00 56.93 58.89 3hst s PHE 106 Cb 0.08 -2.82 0.70 0.00 -0.57 0.00 0.00 43.02 40.41 3hst s PHE 106 CO 0.66 0.45 1.92 -0.09 -0.10 0.00 0.00 175.22 178.06 3hst h ARG 107 N 4.05 0.45 -2.71 0.44 2.43 -1.18 -3.44 114.38 114.42 3hst h ARG 107 Ca -0.47 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 58.50 3hst h ARG 107 Cb 1.20 -0.07 -0.25 0.00 -0.42 0.00 0.00 29.97 30.43 3hst h ARG 107 CO 0.66 0.47 -0.27 0.50 -1.51 0.00 0.00 179.97 179.82 3hst s ARG 108 N -5.00 0.43 -0.05 0.20 3.52 -1.11 -5.05 118.95 111.89 3hst s ARG 108 Ca -0.07 0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 3hst s ARG 108 Cb 0.16 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3hst s ARG 108 CO 0.75 -0.10 0.26 -1.50 -0.81 0.00 0.00 175.30 173.89 3hst s ILE 109 N 0.77 0.04 0.03 4.11 2.07 -1.26 -2.32 121.20 124.64 3hst s ILE 109 Ca -0.04 -0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 58.85 3hst s ILE 109 Cb -0.05 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 42.03 3hst s ILE 109 CO -0.06 -0.18 0.01 0.54 -1.91 0.00 0.00 174.94 173.34 3hst s ASN 110 N -0.74 0.29 -0.12 4.50 6.03 -0.42 -4.99 114.94 119.50 3hst s ASN 110 Ca -0.08 -0.66 0.02 0.00 -1.03 0.00 0.00 52.86 51.11 3hst s ASN 110 Cb -0.04 0.17 0.01 0.00 -3.03 0.00 0.00 41.25 38.36 3hst s ASN 110 CO 0.02 -0.45 -0.19 -0.31 -2.03 0.00 0.00 177.10 174.14 3hst s TYR 111 N -2.53 2.29 -0.03 1.54 2.02 -1.26 -0.13 117.35 119.24 3hst s TYR 111 Ca -0.06 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.56 3hst s TYR 111 Cb -0.02 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.97 3hst s TYR 111 CO -0.05 -0.52 0.01 -2.00 -1.57 0.00 0.00 175.55 171.43 3hst s GLU 112 N 0.84 0.20 0.17 -0.62 2.12 -0.25 -4.96 118.70 116.20 3hst s GLU 112 Ca -0.08 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 3hst s GLU 112 Cb -0.15 -0.41 -0.08 0.00 0.26 0.00 0.00 34.13 33.75 3hst s GLU 112 CO -0.00 -0.14 1.17 -0.46 -0.54 0.00 0.00 175.26 175.28 3hst s TRP 113 N 1.02 3.48 0.04 5.30 -0.00 -1.26 -2.20 118.94 125.32 3hst s TRP 113 Ca -0.10 1.47 0.02 0.00 -0.00 0.00 0.00 56.10 57.49 3hst s TRP 113 Cb -0.13 -3.38 -0.02 0.00 -0.00 0.00 0.00 33.47 29.94 3hst s TRP 113 CO -0.02 -1.02 -0.08 0.14 -0.00 0.00 0.00 176.95 175.97 3hst s VAL 114 N 0.03 0.58 0.72 5.86 -7.23 -0.44 -4.92 120.40 115.00 3hst s VAL 114 Ca 0.52 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.60 3hst s VAL 114 Cb -0.31 -0.61 0.03 0.00 0.56 0.00 0.00 36.38 36.05 3hst s VAL 114 CO 0.35 -0.26 1.24 -2.84 -0.31 0.00 0.00 175.10 173.28 3hst s PRO 115 N -1.30 2.17 0.38 4.82 0.02 -1.26 -3.91 135.00 135.91 3hst s PRO 115 Ca -0.07 1.89 0.14 0.00 0.02 0.00 0.00 61.00 62.99 3hst s PRO 115 Cb -0.08 -1.82 0.98 0.00 0.02 0.00 0.00 34.50 33.60 3hst s PRO 115 CO 0.00 -1.84 1.81 -0.09 -0.33 0.00 0.00 177.00 176.55 3hst h ARG 116 N -0.11 0.50 0.00 5.54 2.43 -1.93 0.20 114.38 121.01 3hst h ARG 116 Ca -0.49 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3hst h ARG 116 Cb 1.31 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hst h ARG 116 CO 0.50 0.33 0.00 0.00 -1.51 0.00 0.00 179.97 179.29 3hst n ALA 117 N -2.45 1.34 -1.89 2.80 0.00 -1.26 -1.57 120.51 117.48 3hst n ALA 117 Ca 0.22 0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.56 3hst n ALA 117 Cb 0.71 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.84 3hst n ALA 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hst n ARG 118 N -2.27 3.39 -0.11 0.00 1.74 0.72 -4.45 116.66 115.67 3hst n ARG 118 Ca 0.00 -3.99 0.01 0.00 -0.77 0.00 0.00 57.85 53.10 3hst n ARG 118 Cb 0.13 -2.26 0.01 0.00 -1.02 0.00 0.00 32.46 29.32 3hst n ARG 118 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3hst n ASN 119 N -0.76 0.57 -0.20 0.55 5.15 -0.61 -4.84 115.26 115.12 3hst n ASN 119 Ca 0.46 -1.57 0.26 0.00 -0.60 0.00 0.00 54.58 53.14 3hst n ASN 119 Cb 0.91 -0.08 0.41 0.00 -0.53 0.00 0.00 39.78 40.49 3hst n ASN 119 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3hst n THR 120 N -0.21 0.00 0.09 -0.44 -2.24 -1.24 -1.20 114.28 109.04 3hst n THR 120 Ca 0.01 1.20 -0.14 0.00 -2.27 0.00 0.00 64.05 62.86 3hst n THR 120 Cb 0.51 -2.16 -0.13 0.00 -2.10 0.00 0.00 70.33 66.44 3hst n THR 120 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 3hst h TYR 121 N 0.00 0.37 0.06 4.78 0.05 -1.95 -2.99 116.97 117.30 3hst h TYR 121 Ca 0.46 -0.27 -0.31 0.00 0.05 0.00 0.00 58.73 58.67 3hst h TYR 121 Cb 2.81 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 40.50 3hst h TYR 121 CO 0.00 1.21 -1.67 0.00 -1.05 0.00 0.00 178.16 176.64 3hst h ALA 122 N 0.69 0.53 -0.20 3.88 0.00 -1.47 -3.20 119.26 119.48 3hst h ALA 122 Ca -0.10 -1.31 -0.01 0.00 0.00 0.00 0.00 54.91 53.49 3hst h ALA 122 Cb 1.91 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 3hst h ALA 122 CO 0.18 1.38 0.10 0.22 0.00 0.00 0.00 179.25 181.13 3hst h ASP 123 N 0.04 0.26 -0.77 0.00 3.58 -1.48 -1.11 116.42 116.93 3hst h ASP 123 Ca -0.29 -0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.12 3hst h ASP 123 Cb 2.00 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 42.92 3hst h ASP 123 CO 0.11 0.31 0.45 -0.09 -2.88 0.00 0.00 179.24 177.14 3hst h ARG 124 N 0.20 0.77 -0.05 0.28 9.65 -1.62 0.13 114.38 123.73 3hst h ARG 124 Ca 0.07 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 3hst h ARG 124 Cb 0.12 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3hst h ARG 124 CO -0.01 0.51 -0.05 -0.07 2.80 0.00 0.00 179.97 183.16 3hst h LEU 125 N 0.80 0.13 -0.27 3.80 4.07 -1.50 -0.77 115.31 121.57 3hst h LEU 125 Ca 0.35 -0.47 0.04 0.00 0.08 0.00 0.00 57.88 57.88 3hst h LEU 125 Cb 0.25 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.91 3hst h LEU 125 CO -0.20 0.58 0.03 0.00 -1.08 0.00 0.00 178.44 177.76 3hst h ALA 126 N 0.56 0.26 -0.58 1.53 0.00 -1.02 -1.28 119.26 118.73 3hst h ALA 126 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hst h ALA 126 Cb 0.54 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3hst h ALA 126 CO 0.01 -0.39 0.37 -0.91 0.00 0.00 0.00 179.25 178.34 3hst h ASN 127 N 0.12 0.67 0.19 0.00 -0.26 -0.68 0.01 115.58 115.64 3hst h ASN 127 Ca 0.13 -0.03 -0.12 0.00 -0.56 0.00 0.00 56.30 55.72 3hst h ASN 127 Cb 0.15 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3hst h ASN 127 CO -0.19 0.49 -0.45 0.44 -1.06 0.00 0.00 177.43 176.67 3hst h ASP 128 N 0.78 0.34 -0.05 5.81 3.32 -0.90 -2.11 116.42 123.61 3hst h ASP 128 Ca 0.21 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3hst h ASP 128 Cb -0.07 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3hst h ASP 128 CO -0.04 0.74 -0.08 0.00 -1.72 0.00 0.00 179.24 178.14 3hst h ALA 129 N 1.27 0.07 -0.38 3.45 0.00 -0.91 -2.26 119.26 120.50 3hst h ALA 129 Ca 0.02 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.70 3hst h ALA 129 Cb 0.90 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3hst h ALA 129 CO 0.07 -0.09 -0.17 0.52 0.00 0.00 0.00 179.25 179.59 3hst h MET 130 N -0.37 -0.09 -0.58 0.00 2.86 -0.97 -0.90 114.93 114.88 3hst h MET 130 Ca 0.00 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 3hst h MET 130 Cb 0.64 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 3hst h MET 130 CO 0.02 -0.06 0.09 -0.44 1.06 0.00 0.00 176.91 177.57 3hst h ASP 131 N -0.10 -0.07 0.26 1.22 3.32 -1.43 0.64 116.42 120.26 3hst h ASP 131 Ca 0.19 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 3hst h ASP 131 Cb 0.39 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hst h ASP 131 CO -0.45 -0.02 -0.47 0.00 -1.72 0.00 0.00 179.24 176.58 3hst h ALA 132 N 1.48 1.01 -0.15 3.45 0.00 -0.85 -1.39 119.26 122.80 3hst h ALA 132 Ca 0.30 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3hst h ALA 132 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hst h ALA 132 CO -0.42 0.64 -0.68 0.00 0.00 0.00 0.00 179.25 178.79 3hst h ALA 133 N 1.30 0.51 0.26 0.00 0.00 -0.48 -2.36 119.26 118.49 3hst h ALA 133 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3hst h ALA 133 Cb 0.91 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hst h ALA 133 CO 0.07 0.71 -0.12 0.00 0.00 0.00 0.00 179.25 179.91 3hst h ALA 134 N 0.79 -0.71 -0.85 0.00 0.00 -0.54 -2.11 119.26 115.83 3hst h ALA 134 Ca -0.02 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 55.10 3hst h ALA 134 Cb 1.27 0.13 -0.16 0.00 0.00 0.00 0.00 17.79 19.04 3hst h ALA 134 CO 0.13 -0.69 0.20 0.94 0.00 0.00 0.00 179.25 179.84 3hst n GLN 135 N -3.35 -0.06 0.00 0.00 -0.06 -0.56 0.40 117.38 113.76 3hst n GLN 135 Ca -0.04 1.24 0.14 0.00 -2.00 0.00 0.00 57.00 56.33 3hst n GLN 135 Cb 0.14 -2.07 0.61 0.00 -4.06 0.00 0.00 30.24 24.85 3hst n GLN 135 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3hst n SER 136 N -5.11 0.09 -0.39 1.69 3.41 -0.89 -1.17 113.62 111.26 3hst n SER 136 Ca 0.25 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.14 3hst n SER 136 Cb 0.84 -0.34 0.32 0.00 -0.26 0.00 0.00 64.21 64.77 3hst n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hst n ALA 137 N -1.41 2.52 -0.06 7.33 0.00 1.33 -5.06 120.51 125.15 3hst n ALA 137 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3hst n ALA 137 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3hst n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50