#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hst s LYS 2 N 0.00 4.13 0.20 1.45 2.20 -1.26 -1.26 119.74 125.20 3hst s LYS 2 Ca 0.00 0.42 0.07 0.00 -0.36 0.00 0.00 55.97 56.11 3hst s LYS 2 Cb 0.00 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3hst s LYS 2 CO 0.00 0.44 -0.13 0.14 -0.36 0.00 0.00 175.35 175.44 3hst s VAL 3 N -0.29 1.62 -0.16 4.02 -7.23 -1.10 -2.53 120.40 114.74 3hst s VAL 3 Ca 0.24 -2.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3hst s VAL 3 Cb -0.16 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 3hst s VAL 3 CO 0.12 -0.61 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.48 3hst s VAL 4 N -3.05 2.90 -0.20 1.32 1.01 -0.58 -2.25 120.40 119.55 3hst s VAL 4 Ca 0.22 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 3hst s VAL 4 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3hst s VAL 4 CO 0.06 0.50 -0.01 -0.63 0.00 0.00 0.00 175.10 175.02 3hst s ILE 5 N 0.82 3.86 -0.20 2.22 1.01 0.61 -0.35 121.20 129.17 3hst s ILE 5 Ca -0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 3hst s ILE 5 Cb -0.15 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 3hst s ILE 5 CO 0.00 0.43 -0.05 -1.61 0.00 0.00 0.00 174.94 173.72 3hst s GLU 6 N 1.00 3.45 0.10 2.79 2.02 0.24 0.70 118.70 129.01 3hst s GLU 6 Ca 0.01 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.46 3hst s GLU 6 Cb -0.14 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3hst s GLU 6 CO 0.01 -0.05 -0.16 0.00 0.02 0.00 0.00 175.26 175.09 3hst s ALA 7 N 1.11 1.47 -0.03 5.21 0.00 -0.96 -0.80 121.76 127.77 3hst s ALA 7 Ca 0.01 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 3hst s ALA 7 Cb -0.15 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 22.94 3hst s ALA 7 CO -0.00 0.18 0.72 0.34 0.00 0.00 0.00 175.76 177.00 3hst s ASP 8 N -2.12 -0.59 0.22 0.00 2.15 -0.23 -4.38 116.67 111.72 3hst s ASP 8 Ca 0.05 0.51 -0.15 0.00 0.43 0.00 0.00 52.55 53.39 3hst s ASP 8 Cb -0.08 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.06 3hst s ASP 8 CO 0.03 -0.64 0.48 -0.83 -0.17 0.00 0.00 175.17 174.05 3hst s GLY 9 N -1.53 0.23 0.05 2.66 0.00 -1.26 -0.00 107.32 107.47 3hst s GLY 9 Ca -0.07 -0.58 -0.28 0.00 0.00 0.00 0.00 44.72 43.80 3hst s GLY 9 CO 0.04 -0.48 1.17 -0.32 0.00 0.00 0.00 173.10 173.51 3hst s GLY 10 N -2.94 -0.31 0.10 0.20 0.00 -0.17 -4.31 107.32 99.89 3hst s GLY 10 Ca 0.15 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.31 3hst s GLY 10 CO 0.03 0.55 -0.08 -1.35 0.00 0.00 0.00 173.10 172.24 3hst s SER 11 N -3.05 1.29 -1.01 1.64 1.04 -1.26 -0.90 113.70 111.45 3hst s SER 11 Ca 0.15 -0.91 -0.16 0.00 0.48 0.00 0.00 55.95 55.51 3hst s SER 11 Cb 0.02 0.05 0.16 0.00 0.10 0.00 0.00 66.02 66.36 3hst s SER 11 CO -0.01 -0.37 1.17 -0.13 0.98 0.00 0.00 173.24 174.88 3hst s ARG 12 N -3.33 3.79 0.00 4.02 1.81 0.21 -4.29 118.95 121.16 3hst s ARG 12 Ca 0.09 -2.19 0.00 0.00 -1.72 0.00 0.00 55.73 51.91 3hst s ARG 12 Cb 0.01 -4.88 0.00 0.00 -0.45 0.00 0.00 34.95 29.64 3hst s ARG 12 CO -0.02 -1.68 0.00 0.41 -0.68 0.00 0.00 175.30 173.33 3hst n GLY 13 N 4.71 1.66 3.49 -3.53 0.00 -1.26 -3.95 105.19 106.31 3hst n GLY 13 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -6.07 -4.85 1.61 5.15 -1.26 -4.64 115.26 105.20 3hst n ASN 14 Ca 0.00 -0.65 -0.32 0.00 -0.60 0.00 0.00 54.58 53.02 3hst n ASN 14 Cb 0.00 -3.43 -0.04 0.00 -0.53 0.00 0.00 39.78 35.78 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 -4.47 3.92 0.06 1.20 0.04 -1.26 -4.80 135.00 129.69 3hst s PRO 15 Ca 0.11 0.73 -0.26 0.00 0.04 0.00 0.00 61.00 61.62 3hst s PRO 15 Cb -0.04 -2.29 0.09 0.00 0.04 0.00 0.00 34.50 32.30 3hst s PRO 15 CO 0.83 -0.08 1.19 0.20 0.04 0.00 0.00 177.00 179.18 3hst s GLY 16 N -2.88 -0.04 0.04 0.56 0.00 -0.96 -4.90 107.32 99.14 3hst s GLY 16 Ca 0.55 -0.09 -0.38 0.00 0.00 0.00 0.00 44.72 44.81 3hst s GLY 16 CO 0.27 4.18 1.34 -1.05 0.00 0.00 0.00 173.10 177.84 3hst n PRO 17 N -0.81 0.96 -4.43 2.90 -0.02 -1.26 -1.41 135.00 130.94 3hst n PRO 17 Ca 0.01 0.35 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 3hst n PRO 17 Cb 0.59 -1.97 -0.10 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.69 2.33 -0.07 3.55 0.00 0.14 -0.62 121.76 127.78 3hst s ALA 18 Ca 0.87 -1.79 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 3hst s ALA 18 Cb -1.02 0.80 0.12 0.00 0.00 0.00 0.00 23.12 23.02 3hst s ALA 18 CO 0.50 -0.36 0.99 0.20 0.00 0.00 0.00 175.76 177.09 3hst s GLY 19 N -3.47 -0.40 0.10 0.00 0.00 -0.08 -1.52 107.32 101.96 3hst s GLY 19 Ca 0.34 1.27 -0.00 0.00 0.00 0.00 0.00 44.72 46.32 3hst s GLY 19 CO 0.15 0.45 0.01 -2.52 0.00 0.00 0.00 173.10 171.18 3hst s TYR 20 N -2.77 0.78 0.03 1.90 1.13 0.46 -0.99 117.35 117.89 3hst s TYR 20 Ca 0.06 -1.12 0.01 0.00 -1.41 0.00 0.00 57.07 54.60 3hst s TYR 20 Cb -0.01 -0.48 -0.02 0.00 -1.10 0.00 0.00 41.96 40.35 3hst s TYR 20 CO -0.07 -0.40 -0.05 0.20 -2.51 0.00 0.00 175.55 172.72 3hst s GLY 21 N -3.02 0.34 -0.09 5.49 0.00 1.00 -1.66 107.32 109.38 3hst s GLY 21 Ca 0.17 -0.65 -0.17 0.00 0.00 0.00 0.00 44.72 44.08 3hst s GLY 21 CO -0.03 -0.71 0.41 0.00 0.00 0.00 0.00 173.10 172.77 3hst s ALA 22 N -1.39 -1.03 -0.07 3.20 0.00 -0.19 -1.07 121.76 121.21 3hst s ALA 22 Ca -0.13 0.86 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3hst s ALA 22 Cb -0.10 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.75 3hst s ALA 22 CO -0.00 -0.24 0.17 0.54 0.00 0.00 0.00 175.76 176.22 3hst s VAL 23 N -0.56 -0.03 -0.11 0.00 0.11 0.02 -0.90 120.40 118.93 3hst s VAL 23 Ca -0.07 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 3hst s VAL 23 Cb -0.04 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 3hst s VAL 23 CO 0.03 0.04 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.95 3hst s VAL 24 N 0.78 2.41 0.17 2.04 1.01 -0.34 -0.59 120.40 125.88 3hst s VAL 24 Ca -0.06 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.12 3hst s VAL 24 Cb -0.07 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3hst s VAL 24 CO -0.04 0.55 -0.16 0.26 0.00 0.00 0.00 175.10 175.71 3hst s TRP 25 N 0.29 2.51 0.64 5.22 0.52 0.52 -0.19 118.94 128.45 3hst s TRP 25 Ca -0.15 -0.27 -0.17 0.00 0.02 0.00 0.00 56.10 55.52 3hst s TRP 25 Cb -0.17 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 3hst s TRP 25 CO 0.07 0.48 0.77 0.25 0.02 0.00 0.00 176.95 178.55 3hst n THR 26 N 0.26 2.88 -0.29 2.01 -2.24 -0.16 -1.52 114.28 115.22 3hst n THR 26 Ca -0.12 -0.46 0.11 0.00 -2.27 0.00 0.00 64.05 61.31 3hst n THR 26 Cb 0.55 -0.95 0.25 0.00 -2.10 0.00 0.00 70.33 68.08 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 0.10 1.13 -0.02 6.98 0.00 -1.81 0.20 119.26 125.84 3hst h ALA 27 Ca -0.47 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hst h ALA 27 Cb 1.37 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hst h ALA 27 CO 0.47 -0.45 0.00 -0.40 0.00 0.00 0.00 179.25 178.87 3hst n ASP 28 N -5.27 0.14 -2.76 0.00 5.68 -1.26 -4.82 116.55 108.27 3hst n ASP 28 Ca 0.19 -1.80 -0.21 0.00 -0.50 0.00 0.00 54.79 52.47 3hst n ASP 28 Cb 0.62 -0.01 0.02 0.00 -1.14 0.00 0.00 41.12 40.61 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 -0.52 -1.67 -0.10 2.11 -0.00 0.72 -4.89 115.22 110.86 3hst n HIS 29 Ca 0.06 0.38 -0.10 0.00 -0.00 0.00 0.00 57.72 58.06 3hst n HIS 29 Cb 0.05 -4.27 -0.15 0.00 -0.00 0.00 0.00 29.99 25.61 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 -2.24 0.34 -3.95 0.26 3.41 -1.26 -4.98 113.62 105.20 3hst n SER 30 Ca -0.14 -0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 3hst n SER 30 Cb 0.63 0.87 -0.15 0.00 -0.26 0.00 0.00 64.21 65.31 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 -2.47 0.46 -0.32 6.66 2.01 -1.26 -5.02 115.64 115.70 3hst s THR 31 Ca -0.12 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 3hst s THR 31 Cb 0.06 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.17 3hst s THR 31 CO 0.78 0.15 1.00 -0.69 -0.69 0.00 0.00 174.62 175.17 3hst s VAL 32 N 0.13 4.59 0.03 3.82 1.01 -1.26 -0.98 120.40 127.73 3hst s VAL 32 Ca -0.01 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.47 3hst s VAL 32 Cb -0.05 -4.34 -0.31 0.00 0.00 0.00 0.00 36.38 31.68 3hst s VAL 32 CO -0.00 -0.42 0.97 -0.07 0.00 0.00 0.00 175.10 175.58 3hst h LEU 33 N 9.91 0.57 -7.24 3.92 -0.00 -0.90 -3.48 115.31 118.09 3hst h LEU 33 Ca -0.21 -0.68 -0.08 0.00 -0.00 0.00 0.00 57.88 56.91 3hst h LEU 33 Cb 1.07 -0.19 -0.18 0.00 -0.00 0.00 0.00 40.66 41.36 3hst h LEU 33 CO 0.99 1.55 -0.01 0.00 -0.00 0.00 0.00 178.44 180.96 3hst s ALA 34 N -2.62 -1.30 -0.14 1.53 0.00 -1.09 -4.99 121.76 113.15 3hst s ALA 34 Ca -0.08 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.48 3hst s ALA 34 Cb 0.06 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.37 3hst s ALA 34 CO 0.89 -0.38 0.41 -1.83 0.00 0.00 0.00 175.76 174.85 3hst s GLU 35 N -1.68 0.50 -0.05 0.00 -1.05 -1.26 -1.20 118.70 113.96 3hst s GLU 35 Ca -0.10 0.51 0.03 0.00 -0.15 0.00 0.00 54.97 55.27 3hst s GLU 35 Cb -0.02 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 3hst s GLU 35 CO 0.04 -0.07 -0.15 -1.12 0.95 0.00 0.00 175.26 174.91 3hst s SER 36 N 0.08 1.94 -0.06 0.83 0.01 -0.08 -4.99 113.70 111.42 3hst s SER 36 Ca -0.01 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.94 3hst s SER 36 Cb -0.03 -0.63 0.02 0.00 0.21 0.00 0.00 66.02 65.59 3hst s SER 36 CO 0.01 0.11 -0.07 -0.75 0.41 0.00 0.00 173.24 172.95 3hst s LYS 37 N 0.22 1.16 -0.20 12.44 2.20 -1.26 -1.02 119.74 133.28 3hst s LYS 37 Ca -0.07 -0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 55.28 3hst s LYS 37 Cb -0.12 -1.12 0.10 0.00 -1.51 0.00 0.00 37.83 35.17 3hst s LYS 37 CO 0.02 -0.10 0.41 -1.14 -0.36 0.00 0.00 175.35 174.19 3hst s GLN 38 N 1.06 0.32 0.30 4.03 2.00 -0.66 -5.01 119.66 121.69 3hst s GLN 38 Ca -0.08 0.97 -0.25 0.00 -2.00 0.00 0.00 55.36 54.00 3hst s GLN 38 Cb -0.14 0.23 -0.09 0.00 0.80 0.00 0.00 33.01 33.80 3hst s GLN 38 CO -0.01 -0.30 0.89 0.00 -0.50 0.00 0.00 175.29 175.37 3hst s ALA 39 N 2.60 3.26 -0.39 1.58 0.00 -1.26 -0.40 121.76 127.15 3hst s ALA 39 Ca 0.00 0.44 0.10 0.00 0.00 0.00 0.00 51.96 52.50 3hst s ALA 39 Cb -0.12 -3.10 0.32 0.00 0.00 0.00 0.00 23.12 20.22 3hst s ALA 39 CO -0.13 0.21 0.73 0.44 0.00 0.00 0.00 175.76 177.02 3hst n ILE 40 N 0.61 -0.27 0.00 0.00 -5.35 -0.58 -4.95 119.36 108.82 3hst n ILE 40 Ca 0.01 -3.91 0.00 0.00 -0.27 0.00 0.00 62.75 58.57 3hst n ILE 40 Cb 0.50 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 3hst n ILE 40 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hst n GLY 41 N 0.64 2.28 3.42 3.28 0.00 -1.26 -4.45 105.19 109.10 3hst n GLY 41 Ca 0.21 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 46.22 3hst n GLY 41 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hst s ARG 42 N 0.00 2.56 -0.06 1.61 3.52 -1.26 0.27 118.95 125.60 3hst s ARG 42 Ca 0.00 -0.75 -0.31 0.00 -0.13 0.00 0.00 55.73 54.54 3hst s ARG 42 Cb 0.00 -2.34 0.12 0.00 -1.56 0.00 0.00 34.95 31.17 3hst s ARG 42 CO 0.00 0.54 1.18 0.00 -0.81 0.00 0.00 175.30 176.21 3hst s ALA 43 N -0.53 -2.06 0.72 6.12 0.00 -0.50 -4.88 121.76 120.62 3hst s ALA 43 Ca 0.07 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 52.90 3hst s ALA 43 Cb -0.11 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3hst s ALA 43 CO 0.01 -0.85 1.08 0.95 0.00 0.00 0.00 175.76 176.95 3hst s THR 44 N -2.60 3.65 0.19 0.00 -4.23 -1.26 -2.26 115.64 109.12 3hst s THR 44 Ca 0.11 0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 61.04 3hst s THR 44 Cb 0.01 -3.42 0.10 0.00 1.34 0.00 0.00 72.50 70.54 3hst s THR 44 CO -0.04 -0.70 1.79 0.78 -0.54 0.00 0.00 174.62 175.92 3hst h ASN 45 N -0.74 0.44 0.13 3.99 -0.26 -1.90 -2.14 115.58 115.10 3hst h ASN 45 Ca -0.45 0.03 -0.07 0.00 -0.56 0.00 0.00 56.30 55.25 3hst h ASN 45 Cb 1.24 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.43 3hst h ASN 45 CO 0.61 0.29 -0.23 0.78 -1.06 0.00 0.00 177.43 177.82 3hst h ASN 46 N 0.57 0.19 -0.25 5.81 2.35 -1.93 -0.50 115.58 121.83 3hst h ASN 46 Ca 0.25 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.83 3hst h ASN 46 Cb 0.15 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3hst h ASN 46 CO -0.17 0.44 -0.31 0.58 -1.65 0.00 0.00 177.43 176.32 3hst h VAL 47 N 0.18 1.31 -0.91 2.81 2.07 -1.86 -1.99 116.25 117.86 3hst h VAL 47 Ca 0.03 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.07 3hst h VAL 47 Cb 0.52 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3hst h VAL 47 CO 0.04 0.47 0.60 0.00 0.02 0.00 0.00 177.57 178.69 3hst h ALA 48 N 0.66 1.17 0.28 1.67 0.00 -1.11 -1.25 119.26 120.68 3hst h ALA 48 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hst h ALA 48 Cb 0.89 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hst h ALA 48 CO 0.07 0.51 -0.14 1.49 0.00 0.00 0.00 179.25 181.19 3hst h GLU 49 N 1.19 -0.37 -0.89 0.00 4.57 -0.95 -1.33 114.58 116.82 3hst h GLU 49 Ca 0.34 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.65 3hst h GLU 49 Cb -0.09 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 3hst h GLU 49 CO -0.09 -0.17 0.53 1.88 -1.18 0.00 0.00 179.01 179.97 3hst h TYR 50 N -0.48 0.95 -0.56 0.92 0.05 -1.22 -0.79 116.97 115.84 3hst h TYR 50 Ca -0.04 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 3hst h TYR 50 Cb 0.36 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 3hst h TYR 50 CO -0.03 0.39 0.13 0.00 -1.05 0.00 0.00 178.16 177.60 3hst h ARG 51 N 0.86 0.86 -0.31 4.88 3.08 -0.99 0.72 114.38 123.48 3hst h ARG 51 Ca 0.43 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3hst h ARG 51 Cb 0.40 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hst h ARG 51 CO -0.25 0.77 0.15 0.78 -1.07 0.00 0.00 179.97 180.35 3hst h GLY 52 N 0.98 0.48 0.95 0.04 0.00 -0.71 -0.95 103.07 103.85 3hst h GLY 52 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3hst h GLY 52 CO -0.00 0.22 -0.11 -2.00 0.00 0.00 0.00 176.54 174.66 3hst h LEU 53 N 0.36 -0.26 -0.38 3.11 5.85 -0.70 -0.21 115.31 123.08 3hst h LEU 53 Ca 0.11 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3hst h LEU 53 Cb 0.12 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3hst h LEU 53 CO -0.01 -0.17 0.08 0.40 -0.34 0.00 0.00 178.44 178.39 3hst h ILE 54 N -0.27 0.81 -0.89 4.05 2.04 -0.78 0.44 117.51 122.90 3hst h ILE 54 Ca -0.02 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3hst h ILE 54 Cb 0.23 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 3hst h ILE 54 CO 0.02 0.04 0.59 0.00 0.00 0.00 0.00 178.15 178.79 3hst h ALA 55 N 1.29 1.16 -0.86 1.87 0.00 -0.91 -0.66 119.26 121.14 3hst h ALA 55 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hst h ALA 55 Cb 0.21 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hst h ALA 55 CO -0.24 0.48 0.52 0.78 0.00 0.00 0.00 179.25 180.80 3hst h GLY 56 N 1.17 1.24 1.88 0.00 0.00 0.69 -1.37 103.07 106.68 3hst h GLY 56 Ca 0.34 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 3hst h GLY 56 CO -0.10 0.50 -0.70 1.41 0.00 0.00 0.00 176.54 177.65 3hst h LEU 57 N 1.18 0.14 0.00 3.11 3.38 0.46 -2.34 115.31 121.24 3hst h LEU 57 Ca 0.31 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3hst h LEU 57 Cb -0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hst h LEU 57 CO -0.06 0.79 -0.79 -0.78 0.09 0.00 0.00 178.44 177.69 3hst h ASP 58 N 0.08 0.00 -0.23 -0.43 3.58 -1.08 -2.55 116.42 115.78 3hst h ASP 58 Ca -0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 3hst h ASP 58 Cb 1.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 3hst h ASP 58 CO 0.10 0.29 -0.25 0.44 -2.88 0.00 0.00 179.24 176.94 3hst h ASP 59 N 0.00 0.73 0.98 2.28 3.32 -1.17 -2.30 116.42 120.25 3hst h ASP 59 Ca -0.05 -0.27 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 3hst h ASP 59 Cb 1.26 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3hst h ASP 59 CO 0.03 0.95 -0.56 0.00 -1.72 0.00 0.00 179.24 177.93 3hst h ALA 60 N 1.11 0.80 0.00 3.45 0.00 -1.37 -3.29 119.26 119.95 3hst h ALA 60 Ca 0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 3hst h ALA 60 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3hst h ALA 60 CO 0.06 0.70 -1.12 0.28 0.00 0.00 0.00 179.25 179.18 3hst h VAL 61 N 0.00 0.51 -0.47 0.00 2.07 -1.30 -0.84 116.25 116.23 3hst h VAL 61 Ca -0.01 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.61 3hst h VAL 61 Cb 1.21 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3hst h VAL 61 CO 0.07 0.29 0.00 0.29 0.02 0.00 0.00 177.57 178.25 3hst n LYS 62 N -2.95 2.77 0.00 1.57 4.01 -0.88 -3.67 118.16 119.01 3hst n LYS 62 Ca -0.05 -1.98 0.00 0.00 -0.51 0.00 0.00 58.31 55.77 3hst n LYS 62 Cb 0.77 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 33.65 3hst n LYS 62 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 3hst n LEU 63 N 0.78 0.15 0.00 -0.35 -0.00 -1.22 -5.03 117.00 111.33 3hst n LEU 63 Ca 0.18 -0.38 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 3hst n LEU 63 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 3hst n LEU 63 CO 0.16 0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 3hst n GLY 64 N 0.46 1.30 3.76 1.47 0.00 -1.17 -5.07 105.19 105.93 3hst n GLY 64 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.47 -0.10 4.61 0.00 -0.33 -4.68 121.76 122.72 3hst s ALA 65 Ca 0.00 1.11 0.13 0.00 0.00 0.00 0.00 51.96 53.20 3hst s ALA 65 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.51 3hst s ALA 65 CO 0.00 -0.45 0.12 0.25 0.00 0.00 0.00 175.76 175.68 3hst n THR 66 N 1.12 0.68 -4.24 0.00 -2.24 -0.39 -4.77 114.28 104.44 3hst n THR 66 Ca 0.00 -0.51 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 3hst n THR 66 Cb 0.43 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 3hst n THR 66 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hst s GLU 67 N -2.52 1.05 -0.16 -0.78 2.02 -0.57 -0.21 118.70 117.53 3hst s GLU 67 Ca -0.06 -1.45 -0.26 0.00 0.02 0.00 0.00 54.97 53.22 3hst s GLU 67 Cb 0.05 -0.58 0.07 0.00 0.10 0.00 0.00 34.13 33.77 3hst s GLU 67 CO 0.57 0.06 0.66 0.00 0.02 0.00 0.00 175.26 176.57 3hst s ALA 68 N -3.36 -1.66 -0.25 5.21 0.00 -0.96 -2.70 121.76 118.04 3hst s ALA 68 Ca 0.17 1.58 -0.09 0.00 0.00 0.00 0.00 51.96 53.61 3hst s ALA 68 Cb 0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3hst s ALA 68 CO 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 175.76 175.56 3hst s ALA 69 N -0.37 3.41 -0.34 0.00 0.00 -0.95 -2.38 121.76 121.13 3hst s ALA 69 Ca -0.05 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 3hst s ALA 69 Cb -0.03 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.84 3hst s ALA 69 CO 0.05 -0.38 0.18 0.08 0.00 0.00 0.00 175.76 175.69 3hst s VAL 70 N 1.42 4.61 -0.18 0.00 1.01 -0.54 -0.28 120.40 126.44 3hst s VAL 70 Ca 0.06 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 3hst s VAL 70 Cb -0.15 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3hst s VAL 70 CO 0.06 -0.07 0.08 -0.76 0.00 0.00 0.00 175.10 174.42 3hst s LEU 71 N 1.59 3.96 -0.09 3.92 1.43 0.22 -1.61 118.68 128.09 3hst s LEU 71 Ca 0.04 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3hst s LEU 71 Cb -0.18 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3hst s LEU 71 CO 0.07 0.21 0.25 -0.04 0.23 0.00 0.00 176.35 177.06 3hst s MET 72 N 0.19 0.29 0.00 1.70 -1.94 -0.25 -2.25 119.30 117.04 3hst s MET 72 Ca 0.06 0.34 0.29 0.00 -1.71 0.00 0.00 55.69 54.67 3hst s MET 72 Cb -0.12 0.14 1.29 0.00 2.01 0.00 0.00 34.83 38.15 3hst s MET 72 CO -0.00 -0.03 1.88 -0.40 -0.01 0.00 0.00 175.02 176.46 3hst n ASP 73 N 2.94 0.80 -4.55 3.03 5.68 -1.26 -1.96 116.55 121.23 3hst n ASP 73 Ca -0.13 -1.06 -0.43 0.00 -0.50 0.00 0.00 54.79 52.67 3hst n ASP 73 Cb 0.58 -0.01 -0.05 0.00 -1.14 0.00 0.00 41.12 40.51 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 -2.17 6.43 0.34 -1.12 0.15 -1.26 -4.78 113.70 111.29 3hst s SER 74 Ca 0.37 -0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.98 3hst s SER 74 Cb 0.21 -2.42 0.62 0.00 -1.71 0.00 0.00 66.02 62.72 3hst s SER 74 CO 0.40 -1.04 1.92 0.50 1.20 0.00 0.00 173.24 176.21 3hst h LYS 75 N 9.09 0.61 -0.18 5.44 3.64 -1.94 -2.45 116.57 130.79 3hst h LYS 75 Ca -0.25 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.00 3hst h LYS 75 Cb 1.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 3hst h LYS 75 CO 1.02 0.55 -0.03 1.25 -2.27 0.00 0.00 179.45 179.97 3hst h LEU 76 N 0.60 0.33 -0.36 5.20 6.46 -1.98 0.33 115.31 125.89 3hst h LEU 76 Ca 0.14 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 3hst h LEU 76 Cb 0.21 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.03 3hst h LEU 76 CO -0.01 0.60 0.16 0.58 -0.62 0.00 0.00 178.44 179.15 3hst h VAL 77 N 0.05 1.17 -0.24 1.05 2.07 -1.96 0.13 116.25 118.52 3hst h VAL 77 Ca 0.05 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3hst h VAL 77 Cb 0.45 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 3hst h VAL 77 CO 0.01 0.19 -0.14 0.58 0.02 0.00 0.00 177.57 178.23 3hst h VAL 78 N 0.44 0.59 -0.34 2.57 2.07 -1.37 -0.86 116.25 119.34 3hst h VAL 78 Ca 0.12 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 3hst h VAL 78 Cb 0.14 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3hst h VAL 78 CO -0.01 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.02 3hst h GLU 79 N -0.12 0.67 -0.22 1.57 4.39 0.06 -2.05 114.58 118.89 3hst h GLU 79 Ca 0.13 -0.26 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 3hst h GLU 79 Cb 0.32 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3hst h GLU 79 CO -0.32 0.84 -0.56 1.96 -1.16 0.00 0.00 179.01 179.77 3hst h GLN 80 N 0.59 0.77 0.00 2.33 4.20 -0.63 0.35 115.11 122.72 3hst h GLN 80 Ca 0.08 -0.53 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 3hst h GLN 80 Cb 0.70 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3hst h GLN 80 CO 0.05 1.16 -0.39 0.52 -0.67 0.00 0.00 178.83 179.50 3hst h MET 81 N 0.51 0.00 0.00 1.46 2.86 -1.04 -1.03 114.93 117.69 3hst h MET 81 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hst h MET 81 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3hst h MET 81 CO 0.12 0.39 0.00 0.43 1.06 0.00 0.00 176.91 178.91 3hst n SER 82 N -3.81 0.00 0.00 1.22 7.64 -0.78 -4.89 113.62 113.00 3hst n SER 82 Ca -0.01 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.14 3hst n SER 82 Cb 0.46 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.48 2.99 0.29 0.23 0.00 -0.39 -4.86 105.19 103.93 3hst n GLY 83 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3hst n GLY 83 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hst h ARG 84 N 1.70 0.89 -5.23 1.61 3.08 -1.69 -3.40 114.38 111.34 3hst h ARG 84 Ca 0.00 -0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.39 3hst h ARG 84 Cb 0.00 -0.20 -0.14 0.00 0.08 0.00 0.00 29.97 29.71 3hst h ARG 84 CO 0.00 0.59 -0.52 -1.58 -1.07 0.00 0.00 179.97 177.39 3hst s TRP 85 N -6.11 3.33 -0.21 3.04 0.52 0.12 -4.96 118.94 114.67 3hst s TRP 85 Ca -0.13 0.20 -0.09 0.00 0.02 0.00 0.00 56.10 56.10 3hst s TRP 85 Cb 0.16 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 3hst s TRP 85 CO 0.78 0.18 0.10 0.15 0.02 0.00 0.00 176.95 178.18 3hst s LYS 86 N 0.54 4.01 -0.12 4.98 1.02 -1.26 -4.02 119.74 124.88 3hst s LYS 86 Ca 0.06 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.44 3hst s LYS 86 Cb -0.12 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.81 3hst s LYS 86 CO 0.00 0.17 1.30 0.08 -0.92 0.00 0.00 175.35 175.99 3hst s VAL 87 N 0.68 4.17 -0.37 3.17 1.01 -1.26 -4.96 120.40 122.83 3hst s VAL 87 Ca 0.05 1.44 0.16 0.00 0.00 0.00 0.00 61.98 63.63 3hst s VAL 87 Cb -0.13 -3.93 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 3hst s VAL 87 CO 0.01 -0.09 0.50 0.29 0.00 0.00 0.00 175.10 175.82 3hst n LYS 88 N 6.29 1.15 -5.16 2.72 5.02 -1.26 -4.92 118.16 122.01 3hst n LYS 88 Ca 0.14 -0.08 -0.32 0.00 -2.02 0.00 0.00 58.31 56.03 3hst n LYS 88 Cb 0.45 -1.31 -0.16 0.00 -0.02 0.00 0.00 35.03 33.99 3hst n LYS 88 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hst s HIS 89 N -2.80 2.55 0.31 2.13 2.46 -1.26 -5.05 115.29 113.62 3hst s HIS 89 Ca -0.00 -0.77 0.07 0.00 0.47 0.00 0.00 55.06 54.83 3hst s HIS 89 Cb 0.11 -1.67 0.81 0.00 -0.13 0.00 0.00 32.58 31.70 3hst s HIS 89 CO 0.66 -0.25 1.72 -1.00 -2.47 0.00 0.00 174.74 173.40 3hst h PRO 90 N 6.29 0.50 0.26 2.88 0.13 -1.98 -0.90 132.00 139.18 3hst h PRO 90 Ca -0.28 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3hst h PRO 90 Cb 1.20 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3hst h PRO 90 CO 0.48 0.33 -0.37 0.38 -0.23 0.00 0.00 178.00 178.60 3hst h ASP 91 N 0.51 -1.03 0.04 1.44 2.03 -2.01 -1.13 116.42 116.27 3hst h ASP 91 Ca 0.60 0.10 -0.03 0.00 -0.73 0.00 0.00 57.03 56.97 3hst h ASP 91 Cb 1.14 0.37 -0.01 0.00 -0.83 0.00 0.00 39.33 40.00 3hst h ASP 91 CO -0.49 -0.48 -0.10 -0.07 -1.03 0.00 0.00 179.24 177.07 3hst h LEU 92 N -0.69 0.14 0.08 0.15 4.07 -1.72 -3.11 115.31 114.24 3hst h LEU 92 Ca -0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 3hst h LEU 92 Cb 0.66 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3hst h LEU 92 CO -0.13 0.26 -0.04 0.25 -1.08 0.00 0.00 178.44 177.70 3hst h LEU 93 N 0.15 -0.09 -0.71 1.67 5.85 -0.31 0.25 115.31 122.12 3hst h LEU 93 Ca 0.03 -0.16 0.16 0.00 0.84 0.00 0.00 57.88 58.74 3hst h LEU 93 Cb 0.27 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.21 3hst h LEU 93 CO 0.02 0.11 0.10 0.11 -0.34 0.00 0.00 178.44 178.43 3hst h LYS 94 N -0.30 0.19 -0.28 1.25 1.57 -1.18 0.33 116.57 118.16 3hst h LYS 94 Ca -0.01 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3hst h LYS 94 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3hst h LYS 94 CO 0.02 0.13 -0.37 -0.07 -0.57 0.00 0.00 179.45 178.58 3hst h LEU 95 N 0.20 0.80 -0.37 2.94 4.07 -1.44 -0.90 115.31 120.61 3hst h LEU 95 Ca 0.39 -0.50 0.06 0.00 0.08 0.00 0.00 57.88 57.91 3hst h LEU 95 Cb 0.67 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 3hst h LEU 95 CO -0.55 1.15 0.04 0.22 -1.08 0.00 0.00 178.44 178.22 3hst h TYR 96 N 0.48 0.06 0.37 1.13 3.20 0.74 0.40 116.97 123.36 3hst h TYR 96 Ca 0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 3hst h TYR 96 Cb 0.96 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.26 3hst h TYR 96 CO 0.08 -0.02 -0.18 0.28 -1.64 0.00 0.00 178.16 176.67 3hst h VAL 97 N 0.15 0.64 -0.54 1.81 2.07 -0.28 0.26 116.25 120.36 3hst h VAL 97 Ca 0.18 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.78 3hst h VAL 97 Cb 0.23 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 3hst h VAL 97 CO -0.26 0.01 -0.14 -0.61 0.02 0.00 0.00 177.57 176.58 3hst h GLN 98 N -0.52 -0.00 -0.46 1.57 4.15 -0.95 0.90 115.11 119.80 3hst h GLN 98 Ca -0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3hst h GLN 98 Cb 0.39 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3hst h GLN 98 CO 0.08 -0.00 0.19 0.00 -1.93 0.00 0.00 178.83 177.17 3hst h ALA 99 N 1.53 0.59 -1.00 3.38 0.00 0.07 -2.75 119.26 121.09 3hst h ALA 99 Ca 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hst h ALA 99 Cb 0.40 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3hst h ALA 99 CO -0.56 0.19 0.66 1.96 0.00 0.00 0.00 179.25 181.50 3hst h GLN 100 N 0.60 1.28 -0.08 0.00 1.08 0.27 -0.42 115.11 117.83 3hst h GLN 100 Ca 0.15 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3hst h GLN 100 Cb 0.18 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3hst h GLN 100 CO -0.01 0.85 -0.08 0.00 -0.95 0.00 0.00 178.83 178.64 3hst h ALA 101 N 1.39 1.72 0.05 3.87 0.00 -0.57 -1.33 119.26 124.40 3hst h ALA 101 Ca 0.38 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3hst h ALA 101 Cb -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hst h ALA 101 CO -0.10 0.21 -0.69 -0.07 0.00 0.00 0.00 179.25 178.60 3hst h LEU 102 N 0.12 0.51 -1.86 0.00 3.38 -0.97 -3.25 115.31 113.25 3hst h LEU 102 Ca 0.03 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.16 3hst h LEU 102 Cb 0.22 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hst h LEU 102 CO 0.01 1.29 -0.01 0.00 0.09 0.00 0.00 178.44 179.82 3hst h ALA 103 N 0.23 1.89 0.00 1.53 0.00 -0.92 -2.27 119.26 119.72 3hst h ALA 103 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hst h ALA 103 Cb 1.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3hst h ALA 103 CO 0.13 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 3hst n SER 104 N -4.48 0.00 -0.53 0.00 3.41 -0.52 -1.89 113.62 109.61 3hst n SER 104 Ca -0.02 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 3hst n SER 104 Cb 0.13 -0.50 0.47 0.00 -0.26 0.00 0.00 64.21 64.05 3hst n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hst n GLN 105 N -1.50 1.73 -3.55 4.33 6.02 -0.85 -4.83 117.38 118.73 3hst n GLN 105 Ca 0.04 -1.06 -0.35 0.00 -0.01 0.00 0.00 57.00 55.62 3hst n GLN 105 Cb 0.22 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 3hst n GLN 105 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3hst s PHE 106 N -1.97 3.61 -0.03 1.08 0.08 -0.79 -4.92 117.98 115.04 3hst s PHE 106 Ca 0.37 0.84 -0.25 0.00 0.12 0.00 0.00 56.93 58.01 3hst s PHE 106 Cb 0.20 -2.20 -0.20 0.00 -0.57 0.00 0.00 43.02 40.26 3hst s PHE 106 CO 0.32 0.53 1.18 -0.09 -0.10 0.00 0.00 175.22 177.07 3hst h ARG 107 N 3.84 0.10 -5.11 0.44 2.43 -0.89 -3.45 114.38 111.74 3hst h ARG 107 Ca -0.49 -0.07 -0.52 0.00 -0.81 0.00 0.00 59.98 58.08 3hst h ARG 107 Cb 1.20 0.01 -0.31 0.00 -0.42 0.00 0.00 29.97 30.45 3hst h ARG 107 CO 0.66 0.67 -0.82 0.50 -1.51 0.00 0.00 179.97 179.47 3hst s ARG 108 N -3.84 1.53 -0.10 0.20 3.52 -1.21 -5.07 118.95 113.98 3hst s ARG 108 Ca -0.16 -0.52 -0.08 0.00 -0.13 0.00 0.00 55.73 54.84 3hst s ARG 108 Cb 0.02 -1.35 0.03 0.00 -1.56 0.00 0.00 34.95 32.09 3hst s ARG 108 CO 0.70 0.21 0.27 -1.50 -0.81 0.00 0.00 175.30 174.18 3hst s ILE 109 N 0.06 -0.01 0.19 4.11 2.07 -1.26 -2.26 121.20 124.11 3hst s ILE 109 Ca -0.03 0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3hst s ILE 109 Cb -0.10 -0.39 -0.05 0.00 0.13 0.00 0.00 42.46 42.05 3hst s ILE 109 CO 0.02 0.01 -0.04 0.54 -1.91 0.00 0.00 174.94 173.56 3hst s ASN 110 N 0.43 1.71 -0.06 4.50 4.22 -1.00 -5.03 114.94 119.72 3hst s ASN 110 Ca -0.02 -1.14 0.03 0.00 -2.14 0.00 0.00 52.86 49.59 3hst s ASN 110 Cb -0.04 0.02 0.01 0.00 1.28 0.00 0.00 41.25 42.52 3hst s ASN 110 CO -0.02 -0.46 -0.15 -0.31 -2.04 0.00 0.00 177.10 174.13 3hst s TYR 111 N -3.43 1.59 -0.02 1.54 2.02 -1.26 -1.47 117.35 116.32 3hst s TYR 111 Ca 0.23 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3hst s TYR 111 Cb 0.05 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 3hst s TYR 111 CO 0.05 -0.24 0.01 -2.00 -1.57 0.00 0.00 175.55 171.80 3hst s GLU 112 N 0.39 0.12 -0.28 -0.62 2.12 -0.64 -4.99 118.70 114.81 3hst s GLU 112 Ca -0.10 0.10 -0.10 0.00 0.36 0.00 0.00 54.97 55.22 3hst s GLU 112 Cb -0.14 -0.31 -0.04 0.00 0.26 0.00 0.00 34.13 33.90 3hst s GLU 112 CO 0.03 -0.11 0.17 -0.46 -0.54 0.00 0.00 175.26 174.34 3hst s TRP 113 N 0.82 3.19 0.32 5.30 -0.00 -1.25 -1.09 118.94 126.23 3hst s TRP 113 Ca -0.08 -0.04 0.07 0.00 -0.00 0.00 0.00 56.10 56.05 3hst s TRP 113 Cb -0.11 -2.35 -0.02 0.00 -0.00 0.00 0.00 33.47 30.98 3hst s TRP 113 CO -0.02 -0.23 0.32 0.14 -0.00 0.00 0.00 176.95 177.17 3hst s VAL 114 N 1.72 3.90 0.32 5.86 -7.23 -0.83 -4.97 120.40 119.18 3hst s VAL 114 Ca 0.07 -1.27 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 3hst s VAL 114 Cb -0.16 -3.31 0.08 0.00 0.56 0.00 0.00 36.38 33.55 3hst s VAL 114 CO 0.09 -0.21 0.25 -0.81 -0.31 0.00 0.00 175.10 174.12 3hst n PRO 115 N -1.41 -1.91 -0.02 4.82 -0.04 -1.26 -4.30 135.00 130.89 3hst n PRO 115 Ca -0.03 -0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 62.84 3hst n PRO 115 Cb 0.59 -0.43 -0.14 0.00 -0.04 0.00 0.00 33.50 33.49 3hst n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hst h ARG 116 N 0.00 0.15 0.00 0.54 3.08 -1.96 -3.32 114.38 112.87 3hst h ARG 116 Ca -0.10 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3hst h ARG 116 Cb 0.32 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3hst h ARG 116 CO 0.06 1.12 0.01 0.00 -1.07 0.00 0.00 179.97 180.10 3hst n ALA 117 N -2.79 1.11 0.11 0.04 0.00 -1.26 -0.07 120.51 117.65 3hst n ALA 117 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.34 3hst n ALA 117 Cb 0.70 -0.76 0.13 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.93 2.00 -2.32 0.00 1.74 -1.25 -4.48 116.66 111.42 3hst n ARG 118 Ca 0.00 -1.79 -0.03 0.00 -0.77 0.00 0.00 57.85 55.26 3hst n ARG 118 Cb 0.01 -1.29 0.05 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.73 2.06 -0.07 0.55 5.15 0.89 -4.91 115.26 119.66 3hst n ASN 119 Ca 0.11 -2.43 -0.09 0.00 -0.60 0.00 0.00 54.58 51.57 3hst n ASN 119 Cb 0.41 -0.42 0.06 0.00 -0.53 0.00 0.00 39.78 39.29 3hst n ASN 119 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 3hst h THR 120 N 5.01 1.28 0.69 -0.44 1.35 -1.77 -1.63 112.91 117.40 3hst h THR 120 Ca -0.06 -1.50 -0.03 0.00 -0.55 0.00 0.00 66.41 64.26 3hst h THR 120 Cb 1.42 1.40 0.01 0.00 -1.73 0.00 0.00 68.15 69.25 3hst h THR 120 CO 0.26 0.49 -0.33 0.22 -0.25 0.00 0.00 175.52 175.91 3hst h TYR 121 N 0.62 -0.86 -0.83 4.73 3.20 -1.92 -0.71 116.97 121.21 3hst h TYR 121 Ca 0.06 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.04 3hst h TYR 121 Cb 0.88 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.37 3hst h TYR 121 CO 0.05 -0.50 0.54 0.00 -1.64 0.00 0.00 178.16 176.60 3hst h ALA 122 N -0.94 1.88 -0.25 1.82 0.00 -1.87 -2.50 119.26 117.40 3hst h ALA 122 Ca -0.09 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3hst h ALA 122 Cb 0.74 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hst h ALA 122 CO 0.16 -0.10 -0.33 -0.44 0.00 0.00 0.00 179.25 178.54 3hst h ASP 123 N 0.63 0.74 -0.66 0.00 5.19 -1.16 -1.14 116.42 120.01 3hst h ASP 123 Ca 0.41 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 56.30 3hst h ASP 123 Cb 0.68 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 3hst h ASP 123 CO -0.17 1.09 0.36 0.03 -3.12 0.00 0.00 179.24 177.44 3hst h ARG 124 N 0.40 0.94 -0.32 3.56 3.08 -0.93 -0.82 114.38 120.29 3hst h ARG 124 Ca 0.03 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 3hst h ARG 124 Cb 0.92 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3hst h ARG 124 CO 0.08 0.70 -0.21 -0.07 -1.07 0.00 0.00 179.97 179.40 3hst h LEU 125 N 0.95 0.73 0.48 3.04 3.38 -1.22 -2.63 115.31 120.05 3hst h LEU 125 Ca 0.24 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3hst h LEU 125 Cb 0.04 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hst h LEU 125 CO -0.04 1.01 -0.23 0.00 0.09 0.00 0.00 178.44 179.27 3hst h ALA 126 N 0.75 -0.65 -0.98 1.53 0.00 -1.04 -2.42 119.26 116.45 3hst h ALA 126 Ca 0.06 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.94 3hst h ALA 126 Cb 0.76 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 3hst h ALA 126 CO 0.06 -0.75 0.60 -0.91 0.00 0.00 0.00 179.25 178.24 3hst h ASN 127 N -0.88 0.82 0.24 0.00 -0.26 -1.24 -0.19 115.58 114.06 3hst h ASN 127 Ca -0.07 0.07 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 3hst h ASN 127 Cb 0.59 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.75 3hst h ASN 127 CO 0.11 0.36 -0.37 0.44 -1.06 0.00 0.00 177.43 176.91 3hst h ASP 128 N 0.85 0.20 0.02 5.81 3.32 -1.48 -3.19 116.42 121.95 3hst h ASP 128 Ca 0.53 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3hst h ASP 128 Cb 0.68 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3hst h ASP 128 CO -0.33 0.56 -0.09 0.00 -1.72 0.00 0.00 179.24 177.66 3hst h ALA 129 N 1.46 -0.62 0.14 3.45 0.00 -0.50 -3.16 119.26 120.03 3hst h ALA 129 Ca 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3hst h ALA 129 Cb 0.74 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3hst h ALA 129 CO 0.06 -0.64 -0.25 0.00 0.00 0.00 0.00 179.25 178.41 3hst h MET 130 N -0.13 -0.45 0.00 0.00 -0.00 -1.64 -3.42 114.93 109.29 3hst h MET 130 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 3hst h MET 130 Cb 0.13 0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 3hst h MET 130 CO -0.05 -0.30 0.00 -0.25 -0.00 0.00 0.00 176.91 176.31