#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ht1 s THR 2 N 0.00 0.97 -0.11 1.09 2.01 -1.26 -1.19 115.64 117.15 1ht1 s THR 2 Ca 0.00 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1ht1 s THR 2 Cb 0.00 -0.82 0.02 0.00 0.01 0.00 0.00 72.50 71.71 1ht1 s THR 2 CO 0.00 0.28 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.47 1ht1 s ILE 3 N -0.13 1.27 0.04 1.82 -1.09 -0.96 -2.44 121.20 119.71 1ht1 s ILE 3 Ca 0.02 -0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.05 1ht1 s ILE 3 Cb -0.06 -1.21 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1ht1 s ILE 3 CO 0.00 0.40 -0.24 -0.69 -1.23 0.00 0.00 174.94 173.18 1ht1 s VAL 4 N 1.34 1.96 -0.20 2.92 1.01 0.78 -2.32 120.40 125.90 1ht1 s VAL 4 Ca -0.01 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 1ht1 s VAL 4 Cb -0.14 -1.69 0.07 0.00 0.00 0.00 0.00 36.38 34.63 1ht1 s VAL 4 CO -0.06 0.31 0.13 -0.55 0.00 0.00 0.00 175.10 174.93 1ht1 s SER 5 N -1.20 2.30 0.07 3.32 0.15 0.13 0.65 113.70 119.12 1ht1 s SER 5 Ca 0.10 -0.64 0.03 0.00 0.70 0.00 0.00 55.95 56.14 1ht1 s SER 5 Cb -0.10 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.06 1ht1 s SER 5 CO 0.02 -0.36 0.07 -0.69 1.20 0.00 0.00 173.24 173.48 1ht1 s VAL 6 N 2.18 4.50 0.03 4.45 1.01 -1.20 -1.88 120.40 129.49 1ht1 s VAL 6 Ca 0.04 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ht1 s VAL 6 Cb -0.16 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1ht1 s VAL 6 CO -0.14 0.14 -0.14 -0.60 0.00 0.00 0.00 175.10 174.36 1ht1 s ARG 7 N -2.33 0.99 0.00 2.72 3.52 -1.26 -1.27 118.95 121.32 1ht1 s ARG 7 Ca 0.28 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1ht1 s ARG 7 Cb -0.12 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.27 1ht1 s ARG 7 CO 0.21 0.25 0.00 -2.13 -0.81 0.00 0.00 175.30 172.82 1ht1 n ARG 8 N 2.08 0.00 -3.31 5.12 0.63 0.49 -4.83 116.66 116.84 1ht1 n ARG 8 Ca -0.17 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.54 1ht1 n ARG 8 Cb 0.55 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.47 1ht1 n ARG 8 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ht1 n ASN 9 N 0.00 -6.44 -2.90 6.15 3.02 -1.26 -2.06 115.26 111.77 1ht1 n ASN 9 Ca 0.00 -0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.32 1ht1 n ASN 9 Cb 0.00 -3.30 -0.01 0.00 -0.61 0.00 0.00 39.78 35.86 1ht1 n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ht1 n GLY 10 N -0.75 -0.48 2.70 7.41 0.00 -1.26 -4.89 105.19 107.92 1ht1 n GLY 10 Ca -0.06 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1ht1 n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ht1 s HIS 11 N -2.47 -0.11 -0.11 1.61 3.76 -0.87 -1.91 115.29 115.19 1ht1 s HIS 11 Ca 0.18 -0.04 0.04 0.00 -0.15 0.00 0.00 55.06 55.09 1ht1 s HIS 11 Cb -0.10 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.09 1ht1 s HIS 11 CO 0.22 -0.62 -0.23 0.54 -0.85 0.00 0.00 174.74 173.81 1ht1 s VAL 12 N 2.26 1.99 0.44 -0.90 0.11 -0.95 -0.38 120.40 122.97 1ht1 s VAL 12 Ca 0.06 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 1ht1 s VAL 12 Cb -0.16 -1.73 -0.05 0.00 -1.53 0.00 0.00 36.38 32.91 1ht1 s VAL 12 CO -0.14 0.54 0.02 0.68 -3.33 0.00 0.00 175.10 172.87 1ht1 s VAL 13 N 0.47 1.45 -0.18 2.04 -7.23 -0.40 -1.53 120.40 115.03 1ht1 s VAL 13 Ca -0.16 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 57.95 1ht1 s VAL 13 Cb -0.17 -2.60 0.08 0.00 0.56 0.00 0.00 36.38 34.25 1ht1 s VAL 13 CO 0.06 0.00 0.37 -0.63 -0.31 0.00 0.00 175.10 174.60 1ht1 s ILE 14 N -2.90 -0.58 -0.11 -0.62 1.01 -1.00 -3.23 121.20 113.77 1ht1 s ILE 14 Ca 0.23 0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.09 1ht1 s ILE 14 Cb 0.06 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.94 1ht1 s ILE 14 CO 0.12 0.08 -0.14 0.00 0.00 0.00 0.00 174.94 175.00 1ht1 s ALA 15 N 2.56 1.65 0.41 9.38 0.00 0.21 -2.27 121.76 133.69 1ht1 s ALA 15 Ca -0.01 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1ht1 s ALA 15 Cb -0.12 -0.86 -0.07 0.00 0.00 0.00 0.00 23.12 22.07 1ht1 s ALA 15 CO -0.12 -0.15 0.09 0.20 0.00 0.00 0.00 175.76 175.78 1ht1 s GLY 16 N 1.12 2.40 0.00 0.00 0.00 -1.15 -0.16 107.32 109.54 1ht1 s GLY 16 Ca -0.04 -2.20 0.00 0.00 0.00 0.00 0.00 44.72 42.48 1ht1 s GLY 16 CO -0.03 -2.00 0.00 2.09 0.00 0.00 0.00 173.10 173.15 1ht1 n ASP 17 N -1.09 0.00 -0.14 1.64 5.75 -1.02 -3.01 116.55 118.67 1ht1 n ASP 17 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1ht1 n ASP 17 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1ht1 n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ht1 n GLY 18 N 5.00 -0.75 3.75 6.12 0.00 -1.13 -4.37 105.19 113.82 1ht1 n GLY 18 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ht1 n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ht1 s GLN 19 N 0.00 4.83 -0.10 1.61 0.74 -1.26 -1.24 119.66 124.25 1ht1 s GLN 19 Ca 0.00 1.52 0.02 0.00 0.05 0.00 0.00 55.36 56.96 1ht1 s GLN 19 Cb 0.00 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.85 1ht1 s GLN 19 CO 0.00 0.48 -0.18 0.00 -0.55 0.00 0.00 175.29 175.04 1ht1 s ALA 20 N -1.14 1.79 -0.05 1.58 0.00 -0.36 -4.74 121.76 118.83 1ht1 s ALA 20 Ca 0.42 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1ht1 s ALA 20 Cb -0.27 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1ht1 s ALA 20 CO 0.33 0.05 -0.23 0.99 0.00 0.00 0.00 175.76 176.90 1ht1 s THR 21 N 0.75 2.28 -0.27 0.00 2.01 -1.26 -0.42 115.64 118.73 1ht1 s THR 21 Ca -0.11 -0.99 0.01 0.00 0.31 0.00 0.00 61.69 60.91 1ht1 s THR 21 Cb -0.16 -1.84 0.08 0.00 0.01 0.00 0.00 72.50 70.59 1ht1 s THR 21 CO 0.02 0.57 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.30 1ht1 s LEU 22 N -0.29 3.01 0.00 4.42 2.96 -0.14 -4.91 118.68 123.73 1ht1 s LEU 22 Ca 0.01 -1.48 0.00 0.00 -0.22 0.00 0.00 54.13 52.44 1ht1 s LEU 22 Cb -0.13 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1ht1 s LEU 22 CO 0.02 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 1ht1 n GLY 23 N 4.61 3.08 0.69 7.98 0.00 -1.26 -1.95 105.19 118.33 1ht1 n GLY 23 Ca -0.07 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.87 1ht1 n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ht1 n ASN 24 N 9.15 3.40 -4.23 1.61 3.02 -1.26 -5.00 115.26 121.94 1ht1 n ASN 24 Ca 0.00 -3.09 -0.23 0.00 -0.03 0.00 0.00 54.58 51.23 1ht1 n ASN 24 Cb 0.00 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.52 1ht1 n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ht1 s THR 25 N -2.87 1.52 -0.17 3.41 -4.23 -0.82 -5.11 115.64 107.37 1ht1 s THR 25 Ca 0.40 -1.25 -0.29 0.00 -1.18 0.00 0.00 61.69 59.36 1ht1 s THR 25 Cb 0.33 -1.36 -0.00 0.00 1.34 0.00 0.00 72.50 72.81 1ht1 s THR 25 CO 0.07 0.06 1.02 -0.69 -0.54 0.00 0.00 174.62 174.54 1ht1 s VAL 26 N -0.94 4.74 -0.16 2.29 1.01 -1.26 -0.96 120.40 125.12 1ht1 s VAL 26 Ca 0.05 2.03 -0.14 0.00 0.00 0.00 0.00 61.98 63.92 1ht1 s VAL 26 Cb -0.09 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.88 1ht1 s VAL 26 CO 0.02 -0.08 0.03 -0.03 0.00 0.00 0.00 175.10 175.05 1ht1 h MET 27 N 7.27 0.00 -5.16 2.72 4.05 -1.09 -3.48 114.93 119.25 1ht1 h MET 27 Ca -0.25 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 58.80 1ht1 h MET 27 Cb 1.11 0.00 -0.19 0.00 -0.80 0.00 0.00 31.60 31.71 1ht1 h MET 27 CO 0.91 0.41 -0.75 0.21 0.23 0.00 0.00 176.91 177.92 1ht1 s LYS 28 N -2.21 0.86 -0.00 0.39 2.20 -1.22 -4.99 119.74 114.76 1ht1 s LYS 28 Ca -0.19 -1.09 0.02 0.00 -0.36 0.00 0.00 55.97 54.35 1ht1 s LYS 28 Cb 0.03 -0.69 -0.02 0.00 -1.51 0.00 0.00 37.83 35.64 1ht1 s LYS 28 CO 0.36 0.13 0.05 0.41 -0.36 0.00 0.00 175.35 175.94 1ht1 n GLY 29 N 0.82 0.49 2.48 5.54 0.00 -1.25 -1.22 105.19 112.04 1ht1 n GLY 29 Ca -0.18 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1ht1 n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ht1 n ASN 30 N -1.24 5.35 -4.72 1.61 2.04 -1.15 -4.05 115.26 113.10 1ht1 n ASN 30 Ca 0.00 -3.75 -0.42 0.00 -0.44 0.00 0.00 54.58 49.98 1ht1 n ASN 30 Cb 0.03 -0.57 -0.03 0.00 -2.53 0.00 0.00 39.78 36.68 1ht1 n ASN 30 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1ht1 s VAL 31 N -5.28 4.28 -0.77 3.53 1.01 -0.37 -4.97 120.40 117.82 1ht1 s VAL 31 Ca 0.50 1.73 -0.24 0.00 0.00 0.00 0.00 61.98 63.97 1ht1 s VAL 31 Cb 0.41 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1ht1 s VAL 31 CO -0.18 0.19 1.17 -0.75 0.00 0.00 0.00 175.10 175.53 1ht1 s LYS 32 N 0.58 3.26 0.00 2.72 2.20 -1.26 -4.32 119.74 122.92 1ht1 s LYS 32 Ca 0.53 -0.74 0.22 0.00 -0.36 0.00 0.00 55.97 55.62 1ht1 s LYS 32 Cb -0.26 -4.45 0.51 0.00 -1.51 0.00 0.00 37.83 32.11 1ht1 s LYS 32 CO 0.30 -2.00 1.44 1.63 -0.36 0.00 0.00 175.35 176.36 1ht1 n LYS 33 N 8.41 2.28 -4.08 4.03 5.02 -1.26 -4.87 118.16 127.68 1ht1 n LYS 33 Ca 0.07 -1.93 -0.16 0.00 -2.02 0.00 0.00 58.31 54.27 1ht1 n LYS 33 Cb 0.48 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 1ht1 n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ht1 s VAL 34 N -1.60 0.34 0.06 -0.18 1.01 -1.26 -1.96 120.40 116.81 1ht1 s VAL 34 Ca 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1ht1 s VAL 34 Cb 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1ht1 s VAL 34 CO 0.30 0.13 0.10 -2.11 0.00 0.00 0.00 175.10 173.52 1ht1 n ARG 35 N 3.39 0.14 -4.25 2.72 1.85 -0.49 -4.95 116.66 115.08 1ht1 n ARG 35 Ca -0.18 -0.47 -0.21 0.00 -1.00 0.00 0.00 57.85 55.99 1ht1 n ARG 35 Cb 0.55 0.48 -0.12 0.00 -1.05 0.00 0.00 32.46 32.32 1ht1 n ARG 35 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1ht1 s ARG 36 N -2.11 0.99 0.10 2.89 0.52 -1.26 -1.40 118.95 118.67 1ht1 s ARG 36 Ca 0.04 -1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 54.12 1ht1 s ARG 36 Cb -0.00 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 34.35 1ht1 s ARG 36 CO 0.03 0.26 0.23 -0.48 0.02 0.00 0.00 175.30 175.36 1ht1 s LEU 37 N -1.76 1.24 -0.55 2.53 0.05 -0.73 -4.87 118.68 114.59 1ht1 s LEU 37 Ca 0.02 -0.62 -0.06 0.00 0.05 0.00 0.00 54.13 53.52 1ht1 s LEU 37 Cb -0.10 1.16 0.01 0.00 -2.05 0.00 0.00 46.19 45.21 1ht1 s LEU 37 CO 0.03 -0.76 0.60 0.00 -0.55 0.00 0.00 176.35 175.67 1ht1 n TYR 38 N -0.10 -2.90 -4.29 3.48 9.36 -1.26 -2.90 117.16 118.55 1ht1 n TYR 38 Ca -0.15 1.13 -0.38 0.00 3.32 0.00 0.00 57.90 61.83 1ht1 n TYR 38 Cb 0.63 -3.86 -0.04 0.00 -0.63 0.00 0.00 39.34 35.43 1ht1 n TYR 38 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1ht1 n ASN 39 N -1.12 -2.86 -0.28 2.98 4.13 -1.26 -1.30 115.26 115.55 1ht1 n ASN 39 Ca 0.05 -1.07 -0.04 0.00 1.68 0.00 0.00 54.58 55.20 1ht1 n ASN 39 Cb 0.46 -2.49 -0.02 0.00 -1.54 0.00 0.00 39.78 36.20 1ht1 n ASN 39 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ht1 n ASP 40 N -2.62 -5.62 0.14 6.41 9.92 -1.24 -4.81 116.55 118.73 1ht1 n ASP 40 Ca 0.07 0.09 -0.23 0.00 -0.53 0.00 0.00 54.79 54.19 1ht1 n ASP 40 Cb 0.49 -3.58 -0.16 0.00 -0.64 0.00 0.00 41.12 37.24 1ht1 n ASP 40 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ht1 h LYS 41 N 0.00 0.49 -5.29 -1.24 1.57 -1.29 -3.45 116.57 107.35 1ht1 h LYS 41 Ca -0.07 -0.83 -0.61 0.00 -1.87 0.00 0.00 60.65 57.27 1ht1 h LYS 41 Cb 1.01 0.31 -0.13 0.00 0.08 0.00 0.00 32.23 33.50 1ht1 h LYS 41 CO 0.11 1.40 -0.51 0.08 -0.57 0.00 0.00 179.45 179.95 1ht1 s VAL 42 N -2.61 5.20 -0.17 0.50 1.01 -1.14 -4.60 120.40 118.59 1ht1 s VAL 42 Ca -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1ht1 s VAL 42 Cb 0.05 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1ht1 s VAL 42 CO 0.93 0.45 -0.07 0.27 0.00 0.00 0.00 175.10 176.69 1ht1 s ILE 43 N 0.30 3.45 0.28 2.22 -0.00 -0.93 -1.77 121.20 124.74 1ht1 s ILE 43 Ca 0.07 -0.50 0.11 0.00 -0.00 0.00 0.00 60.65 60.33 1ht1 s ILE 43 Cb -0.11 -2.52 -0.05 0.00 -0.00 0.00 0.00 42.46 39.78 1ht1 s ILE 43 CO -0.01 0.47 -0.16 0.00 -0.00 0.00 0.00 174.94 175.24 1ht1 s ALA 44 N 0.81 2.83 0.02 2.27 0.00 -0.49 -2.02 121.76 125.18 1ht1 s ALA 44 Ca -0.02 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.03 1ht1 s ALA 44 Cb -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1ht1 s ALA 44 CO 0.01 0.28 0.16 0.20 0.00 0.00 0.00 175.76 176.42 1ht1 s GLY 45 N -3.53 0.04 0.32 0.00 0.00 -0.59 -1.39 107.32 102.17 1ht1 s GLY 45 Ca 0.30 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.83 1ht1 s GLY 45 CO 0.16 -0.36 0.35 -0.11 0.00 0.00 0.00 173.10 173.14 1ht1 s PHE 46 N -1.92 1.34 -0.20 1.90 -0.71 -0.83 -1.68 117.98 115.88 1ht1 s PHE 46 Ca -0.10 -1.44 -0.04 0.00 -1.04 0.00 0.00 56.93 54.31 1ht1 s PHE 46 Cb -0.04 -0.40 0.08 0.00 -1.21 0.00 0.00 43.02 41.45 1ht1 s PHE 46 CO -0.01 -0.96 0.16 0.00 -1.34 0.00 0.00 175.22 173.07 1ht1 s ALA 47 N -3.39 0.10 0.00 1.99 0.00 -0.82 -4.85 121.76 114.78 1ht1 s ALA 47 Ca 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1ht1 s ALA 47 Cb 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1ht1 s ALA 47 CO 0.22 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.15 1ht1 n GLY 48 N 5.30 0.36 3.73 0.00 0.00 -1.26 -1.62 105.19 111.70 1ht1 n GLY 48 Ca -0.06 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1ht1 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ht1 s GLY 49 N 0.00 2.34 0.17 -0.02 0.00 -1.26 -4.93 107.32 103.62 1ht1 s GLY 49 Ca 0.00 1.05 -0.15 0.00 0.00 0.00 0.00 44.72 45.62 1ht1 s GLY 49 CO 0.00 2.11 1.83 -0.84 0.00 0.00 0.00 173.10 176.20 1ht1 h THR 50 N 4.01 1.13 0.00 0.90 2.02 -1.98 0.23 112.91 119.22 1ht1 h THR 50 Ca -0.43 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 1ht1 h THR 50 Cb 1.21 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1ht1 h THR 50 CO 0.80 0.13 -0.13 0.00 0.37 0.00 0.00 175.52 176.69 1ht1 h ALA 51 N 1.17 0.96 -0.00 6.16 0.00 -1.98 -0.19 119.26 125.38 1ht1 h ALA 51 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ht1 h ALA 51 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ht1 h ALA 51 CO -0.04 0.16 -0.02 -0.44 0.00 0.00 0.00 179.25 178.91 1ht1 h ASP 52 N 0.00 0.02 -0.03 0.00 3.45 -1.69 -1.30 116.42 116.87 1ht1 h ASP 52 Ca -0.00 -0.65 0.00 0.00 0.43 0.00 0.00 57.03 56.81 1ht1 h ASP 52 Cb 0.86 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.62 1ht1 h ASP 52 CO 0.02 0.67 0.02 0.00 -1.57 0.00 0.00 179.24 178.37 1ht1 h ALA 53 N 0.36 0.04 -0.64 3.45 0.00 -0.52 -0.23 119.26 121.71 1ht1 h ALA 53 Ca -0.00 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1ht1 h ALA 53 Cb 0.67 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 1ht1 h ALA 53 CO 0.00 -0.46 -0.52 0.35 0.00 0.00 0.00 179.25 178.62 1ht1 h PHE 54 N 0.04 -1.63 -0.00 0.00 -0.00 -1.03 0.49 116.94 114.80 1ht1 h PHE 54 Ca 0.01 0.10 0.01 0.00 -0.00 0.00 0.00 57.97 58.09 1ht1 h PHE 54 Cb -0.00 0.80 -0.02 0.00 -0.00 0.00 0.00 35.95 36.72 1ht1 h PHE 54 CO -0.08 -0.39 -0.22 1.15 -0.00 0.00 0.00 178.31 178.77 1ht1 h THR 55 N -0.18 0.00 -0.27 4.41 2.02 -0.78 -1.76 112.91 116.35 1ht1 h THR 55 Ca 0.11 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1ht1 h THR 55 Cb 0.45 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.80 1ht1 h THR 55 CO -0.70 0.00 -0.47 -0.07 0.37 0.00 0.00 175.52 174.65 1ht1 h LEU 56 N -0.28 -1.56 -1.91 2.58 3.38 -0.04 0.11 115.31 117.59 1ht1 h LEU 56 Ca 0.01 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1ht1 h LEU 56 Cb 0.30 0.63 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1ht1 h LEU 56 CO -0.15 -0.37 0.45 -0.26 0.09 0.00 0.00 178.44 178.20 1ht1 h PHE 57 N -0.39 0.00 -0.20 1.13 0.04 -0.01 0.20 116.94 117.71 1ht1 h PHE 57 Ca 0.05 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 1ht1 h PHE 57 Cb 0.53 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.68 1ht1 h PHE 57 CO -0.66 0.00 -0.33 0.93 -0.60 0.00 0.00 178.31 177.64 1ht1 h GLU 58 N 0.00 0.58 -0.03 1.51 4.39 0.15 -1.97 114.58 119.21 1ht1 h GLU 58 Ca 0.15 -0.36 -0.11 0.00 0.34 0.00 0.00 59.36 59.39 1ht1 h GLU 58 Cb 1.05 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1ht1 h GLU 58 CO -0.00 0.97 -0.40 1.25 -1.16 0.00 0.00 179.01 179.66 1ht1 h LEU 59 N 0.26 0.41 -1.20 1.33 5.85 -0.68 -2.56 115.31 118.71 1ht1 h LEU 59 Ca 0.02 -0.71 0.21 0.00 0.84 0.00 0.00 57.88 58.23 1ht1 h LEU 59 Cb 0.92 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1ht1 h LEU 59 CO 0.08 1.07 0.62 0.15 -0.34 0.00 0.00 178.44 180.01 1ht1 h PHE 60 N -0.21 0.86 -0.51 1.25 3.57 -1.24 0.76 116.94 121.42 1ht1 h PHE 60 Ca -0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1ht1 h PHE 60 Cb 1.10 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1ht1 h PHE 60 CO 0.15 0.17 0.09 1.49 -2.23 0.00 0.00 178.31 177.98 1ht1 h GLU 61 N 0.60 0.84 0.00 1.11 4.81 -1.26 -2.36 114.58 118.31 1ht1 h GLU 61 Ca 0.56 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1ht1 h GLU 61 Cb 1.10 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1ht1 h GLU 61 CO -0.32 0.83 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.33 1ht1 h ARG 62 N 0.72 0.00 0.00 1.92 2.43 0.40 -2.92 114.38 116.93 1ht1 h ARG 62 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ht1 h ARG 62 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ht1 h ARG 62 CO 0.01 0.37 0.00 0.87 -1.51 0.00 0.00 179.97 179.71 1ht1 h LYS 63 N 0.00 0.00 0.00 0.20 1.79 0.65 -2.72 116.57 116.48 1ht1 h LYS 63 Ca -0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1ht1 h LYS 63 Cb 1.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1ht1 h LYS 63 CO 0.05 0.00 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.19 1ht1 h LEU 64 N 0.00 0.00 -0.46 2.94 3.38 -1.24 -2.61 115.31 117.32 1ht1 h LEU 64 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ht1 h LEU 64 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1ht1 h LEU 64 CO 0.00 0.65 0.00 -1.84 0.09 0.00 0.00 178.44 177.34 1ht1 n GLU 65 N -4.71 0.06 0.06 1.13 0.28 -1.21 0.33 120.64 116.58 1ht1 n GLU 65 Ca -0.04 0.49 -0.22 0.00 -0.16 0.00 0.00 57.16 57.23 1ht1 n GLU 65 Cb 0.14 -1.66 -0.15 0.00 1.43 0.00 0.00 31.44 31.20 1ht1 n GLU 65 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1ht1 h MET 66 N 0.00 0.35 -2.27 3.44 4.05 -1.54 -3.38 114.93 115.58 1ht1 h MET 66 Ca 0.00 -0.60 -0.59 0.00 -0.28 0.00 0.00 59.70 58.23 1ht1 h MET 66 Cb 0.07 0.22 -0.42 0.00 -0.80 0.00 0.00 31.60 30.68 1ht1 h MET 66 CO 0.00 1.29 -0.64 0.72 0.23 0.00 0.00 176.91 178.51 1ht1 n HIS 67 N -3.87 3.96 -4.00 1.39 8.25 -0.12 -4.94 115.22 115.89 1ht1 n HIS 67 Ca -0.20 -4.03 -0.35 0.00 -0.26 0.00 0.00 57.72 52.88 1ht1 n HIS 67 Cb 0.96 -0.50 0.01 0.00 1.12 0.00 0.00 29.99 31.58 1ht1 n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ht1 n GLN 68 N -0.05 -0.44 -1.55 -0.41 6.02 -0.62 -0.26 117.38 120.07 1ht1 n GLN 68 Ca 0.31 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1ht1 n GLN 68 Cb 0.40 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1ht1 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ht1 n GLY 69 N -1.84 -0.23 3.56 1.08 0.00 1.01 -4.75 105.19 104.02 1ht1 n GLY 69 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1ht1 n GLY 69 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ht1 s HIS 70 N -1.25 1.76 0.00 1.61 2.46 0.64 -4.87 115.29 115.63 1ht1 s HIS 70 Ca 0.00 0.70 0.00 0.00 0.47 0.00 0.00 55.06 56.23 1ht1 s HIS 70 Cb 0.00 -4.15 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 1ht1 s HIS 70 CO 0.00 -2.34 0.92 -0.11 -2.47 0.00 0.00 174.74 170.74 1ht1 n LEU 71 N 12.02 0.00 -0.17 8.88 -0.00 -1.26 -0.52 117.00 135.94 1ht1 n LEU 71 Ca 0.19 0.92 -0.04 0.00 -0.00 0.00 0.00 56.01 57.08 1ht1 n LEU 71 Cb 0.51 -0.42 0.03 0.00 -0.00 0.00 0.00 43.42 43.54 1ht1 n LEU 71 CO 0.71 -0.42 0.69 0.58 -0.00 0.00 0.00 177.39 178.95 1ht1 h VAL 72 N 0.00 0.30 -0.12 1.96 2.07 -1.95 0.46 116.25 118.97 1ht1 h VAL 72 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ht1 h VAL 72 Cb 0.00 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1ht1 h VAL 72 CO 0.00 0.00 0.02 0.50 0.02 0.00 0.00 177.57 178.11 1ht1 h LYS 73 N -0.11 0.20 0.00 1.57 3.11 -1.92 0.15 116.57 119.57 1ht1 h LYS 73 Ca 0.24 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.03 1ht1 h LYS 73 Cb 0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1ht1 h LYS 73 CO -0.60 0.40 0.00 0.00 -2.81 0.00 0.00 179.45 176.43 1ht1 n ALA 74 N -2.27 1.46 -0.04 5.00 0.00 0.32 -2.24 120.51 122.74 1ht1 n ALA 74 Ca -0.06 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1ht1 n ALA 74 Cb 0.17 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.14 1ht1 n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ht1 h ALA 75 N 2.19 0.31 0.00 0.00 0.00 -0.38 -3.14 119.26 118.24 1ht1 h ALA 75 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.66 1ht1 h ALA 75 Cb 0.25 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ht1 h ALA 75 CO 0.00 0.95 0.00 1.55 0.00 0.00 0.00 179.25 181.75 1ht1 n VAL 76 N -3.98 0.30 -0.05 0.00 3.14 -0.01 -1.51 118.33 116.22 1ht1 n VAL 76 Ca -0.31 0.07 -0.15 0.00 -2.96 0.00 0.00 64.34 61.00 1ht1 n VAL 76 Cb 0.86 -0.79 -0.14 0.00 -1.06 0.00 0.00 33.84 32.71 1ht1 n VAL 76 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ht1 n GLU 77 N -1.17 0.69 0.10 1.45 -0.58 -0.95 -3.57 120.64 116.61 1ht1 n GLU 77 Ca 0.10 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 57.00 1ht1 n GLU 77 Cb 0.11 -1.66 0.08 0.00 -0.57 0.00 0.00 31.44 29.40 1ht1 n GLU 77 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ht1 h LEU 78 N 0.02 0.11 -0.88 -4.62 5.85 -1.29 -2.48 115.31 112.03 1ht1 h LEU 78 Ca -0.45 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ht1 h LEU 78 Cb 2.04 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.04 1ht1 h LEU 78 CO 0.04 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.94 1ht1 h ALA 79 N 1.20 1.00 0.00 1.25 0.00 -1.42 -0.59 119.26 120.70 1ht1 h ALA 79 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ht1 h ALA 79 Cb 1.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ht1 h ALA 79 CO 0.10 0.00 -0.00 -0.22 0.00 0.00 0.00 179.25 179.13 1ht1 h LYS 80 N 0.00 0.00 -0.21 0.00 3.11 -1.51 -3.21 116.57 114.76 1ht1 h LYS 80 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1ht1 h LYS 80 Cb 0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 1ht1 h LYS 80 CO 0.00 0.39 -0.21 -0.44 -2.81 0.00 0.00 179.45 176.39 1ht1 h ASP 81 N -1.00 0.37 0.39 4.20 3.32 -1.45 -1.84 116.42 120.40 1ht1 h ASP 81 Ca -0.00 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ht1 h ASP 81 Cb 0.39 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1ht1 h ASP 81 CO -0.00 0.59 -0.38 -0.25 -1.72 0.00 0.00 179.24 177.48 1ht1 h TRP 82 N 0.34 -1.02 0.00 4.55 2.91 -1.23 0.20 115.95 121.70 1ht1 h TRP 82 Ca 0.06 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.04 1ht1 h TRP 82 Cb 0.56 0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 1ht1 h TRP 82 CO 0.01 -0.53 -0.22 -0.09 -1.03 0.00 0.00 178.44 176.58 1ht1 h ARG 83 N -0.78 0.00 0.00 2.65 2.43 -1.55 -2.98 114.38 114.15 1ht1 h ARG 83 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ht1 h ARG 83 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1ht1 h ARG 83 CO -0.06 0.22 0.00 2.41 -1.51 0.00 0.00 179.97 181.04 1ht1 n THR 84 N -3.29 0.00 -1.68 0.20 -1.04 -0.69 -4.88 114.28 102.89 1ht1 n THR 84 Ca 0.01 0.34 -0.63 0.00 -2.04 0.00 0.00 64.05 61.73 1ht1 n THR 84 Cb 0.48 -1.08 -0.09 0.00 -1.82 0.00 0.00 70.33 67.83 1ht1 n THR 84 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ht1 n ASP 85 N -1.65 1.31 -0.34 8.00 -0.08 0.69 -4.79 116.55 119.68 1ht1 n ASP 85 Ca 0.00 1.15 -0.03 0.00 -1.51 0.00 0.00 54.79 54.40 1ht1 n ASP 85 Cb 0.00 -0.98 0.10 0.00 2.34 0.00 0.00 41.12 42.58 1ht1 n ASP 85 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1ht1 h ARG 86 N 5.14 1.27 0.60 -0.67 3.08 -1.90 0.71 114.38 122.61 1ht1 h ARG 86 Ca -0.46 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.42 1ht1 h ARG 86 Cb 1.37 -0.26 0.01 0.00 0.08 0.00 0.00 29.97 31.16 1ht1 h ARG 86 CO 0.90 0.91 -0.29 0.52 -1.07 0.00 0.00 179.97 180.94 1ht1 h MET 87 N 1.29 -0.78 -0.89 0.04 2.86 -1.95 -3.26 114.93 112.23 1ht1 h MET 87 Ca 0.33 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 58.07 1ht1 h MET 87 Cb -0.01 0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.77 1ht1 h MET 87 CO -0.06 -0.49 0.56 -0.07 1.06 0.00 0.00 176.91 177.92 1ht1 h LEU 88 N -1.15 0.91 -1.59 1.22 3.38 -1.84 -2.23 115.31 114.02 1ht1 h LEU 88 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ht1 h LEU 88 Cb 0.66 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ht1 h LEU 88 CO 0.14 0.60 0.21 -0.09 0.09 0.00 0.00 178.44 179.39 1ht1 h ARG 89 N 1.06 0.00 0.44 1.13 2.43 0.61 -2.86 114.38 117.18 1ht1 h ARG 89 Ca 0.37 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1ht1 h ARG 89 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1ht1 h ARG 89 CO -0.15 0.00 -0.21 0.87 -1.51 0.00 0.00 179.97 178.97 1ht1 h LYS 90 N 0.00 -0.57 -6.51 0.20 1.79 -1.44 -3.45 116.57 106.59 1ht1 h LYS 90 Ca 0.00 0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.98 1ht1 h LYS 90 Cb 0.43 0.13 0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1ht1 h LYS 90 CO 0.00 -0.36 1.03 -0.48 -1.08 0.00 0.00 179.45 178.56 1ht1 s LEU 91 N -9.19 4.38 -0.08 2.94 0.05 -1.08 -5.01 118.68 110.68 1ht1 s LEU 91 Ca -0.09 2.64 0.02 0.00 0.05 0.00 0.00 54.13 56.74 1ht1 s LEU 91 Cb 0.01 -3.57 -0.02 0.00 -2.05 0.00 0.00 46.19 40.56 1ht1 s LEU 91 CO 0.28 -0.93 -0.13 -1.83 -0.55 0.00 0.00 176.35 173.19 1ht1 s GLU 92 N 2.40 2.89 0.05 1.48 -1.05 -1.26 -5.04 118.70 118.17 1ht1 s GLU 92 Ca 0.76 -0.68 -0.28 0.00 -0.15 0.00 0.00 54.97 54.63 1ht1 s GLU 92 Cb -0.43 -2.50 0.09 0.00 -0.44 0.00 0.00 34.13 30.84 1ht1 s GLU 92 CO 0.34 0.46 1.01 0.00 0.95 0.00 0.00 175.26 178.02 1ht1 s ALA 93 N -0.29 -1.83 -0.12 -0.84 0.00 -1.26 -4.00 121.76 113.41 1ht1 s ALA 93 Ca 0.02 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1ht1 s ALA 93 Cb -0.13 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.45 1ht1 s ALA 93 CO 0.03 -0.90 -0.19 -0.51 0.00 0.00 0.00 175.76 174.18 1ht1 s LEU 94 N -2.75 2.36 0.31 0.00 1.43 -0.64 -4.40 118.68 114.99 1ht1 s LEU 94 Ca 0.10 -0.47 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1ht1 s LEU 94 Cb -0.00 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 1ht1 s LEU 94 CO -0.03 0.15 0.41 -0.76 0.23 0.00 0.00 176.35 176.35 1ht1 s LEU 95 N 0.44 4.03 -0.33 1.79 1.02 -0.82 -1.95 118.68 122.85 1ht1 s LEU 95 Ca -0.14 -0.15 0.03 0.00 0.02 0.00 0.00 54.13 53.89 1ht1 s LEU 95 Cb -0.17 -2.71 0.16 0.00 0.02 0.00 0.00 46.19 43.49 1ht1 s LEU 95 CO 0.06 -0.31 0.41 0.00 0.02 0.00 0.00 176.35 176.53 1ht1 s ALA 96 N -2.13 -0.98 -0.11 4.21 0.00 -0.68 -3.07 121.76 119.01 1ht1 s ALA 96 Ca 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1ht1 s ALA 96 Cb -0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1ht1 s ALA 96 CO 0.30 -1.94 -0.02 0.08 0.00 0.00 0.00 175.76 174.17 1ht1 s VAL 97 N 2.04 4.10 0.15 0.00 1.01 -0.66 -1.55 120.40 125.48 1ht1 s VAL 97 Ca 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1ht1 s VAL 97 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1ht1 s VAL 97 CO -0.18 0.56 0.11 0.00 0.00 0.00 0.00 175.10 175.59 1ht1 s ALA 98 N -0.42 0.75 0.00 5.51 0.00 -0.86 -0.88 121.76 125.86 1ht1 s ALA 98 Ca 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1ht1 s ALA 98 Cb -0.12 0.93 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1ht1 s ALA 98 CO 0.02 -0.53 0.00 -0.40 0.00 0.00 0.00 175.76 174.85 1ht1 n ASP 99 N -0.14 0.00 0.25 0.00 5.75 -1.19 -2.19 116.55 119.04 1ht1 n ASP 99 Ca -0.05 -0.02 0.13 0.00 -0.01 0.00 0.00 54.79 54.84 1ht1 n ASP 99 Cb 0.64 0.00 0.64 0.00 -1.03 0.00 0.00 41.12 41.36 1ht1 n ASP 99 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1ht1 h GLU 100 N 0.00 0.00 0.00 0.11 4.81 -1.98 -3.36 114.58 114.15 1ht1 h GLU 100 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1ht1 h GLU 100 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1ht1 h GLU 100 CO 0.00 0.14 -1.63 0.25 -0.73 0.00 0.00 179.01 177.04 1ht1 n THR 101 N -3.41 1.53 -3.74 0.32 -2.24 -1.26 -5.05 114.28 100.42 1ht1 n THR 101 Ca -0.01 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1ht1 n THR 101 Cb 0.32 -2.02 -0.03 0.00 -2.10 0.00 0.00 70.33 66.50 1ht1 n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ht1 s ALA 102 N -2.45 -1.08 -0.17 6.98 0.00 -1.26 -5.15 121.76 118.63 1ht1 s ALA 102 Ca -0.31 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1ht1 s ALA 102 Cb 0.09 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.10 1ht1 s ALA 102 CO 0.53 -0.87 -0.20 -1.12 0.00 0.00 0.00 175.76 174.10 1ht1 s SER 103 N -2.88 3.19 0.39 0.00 0.01 -1.26 -3.15 113.70 110.00 1ht1 s SER 103 Ca 0.09 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1ht1 s SER 103 Cb -0.02 -1.49 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 1ht1 s SER 103 CO -0.01 0.02 0.15 -1.48 0.41 0.00 0.00 173.24 172.33 1ht1 s LEU 104 N 1.19 1.94 0.17 2.44 0.05 -0.06 -4.50 118.68 119.90 1ht1 s LEU 104 Ca 0.02 -1.69 0.09 0.00 0.05 0.00 0.00 54.13 52.61 1ht1 s LEU 104 Cb -0.14 0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 43.98 1ht1 s LEU 104 CO -0.10 -0.95 -0.11 -0.63 -0.55 0.00 0.00 176.35 174.01 1ht1 s ILE 105 N -3.26 3.14 -0.23 1.48 -1.09 0.94 -1.66 121.20 120.51 1ht1 s ILE 105 Ca 0.27 -1.63 -0.04 0.00 -2.23 0.00 0.00 60.65 57.02 1ht1 s ILE 105 Cb 0.03 -2.54 0.08 0.00 -1.58 0.00 0.00 42.46 38.45 1ht1 s ILE 105 CO 0.17 -0.07 0.10 -0.63 -1.23 0.00 0.00 174.94 173.27 1ht1 s ILE 106 N -1.61 0.13 0.34 2.92 1.01 -1.17 -3.32 121.20 119.50 1ht1 s ILE 106 Ca 0.24 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1ht1 s ILE 106 Cb -0.09 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1ht1 s ILE 106 CO 0.14 -0.47 0.37 0.42 0.00 0.00 0.00 174.94 175.40 1ht1 s THR 107 N 2.02 3.66 -1.12 2.92 -4.23 -0.79 -1.95 115.64 116.15 1ht1 s THR 107 Ca 0.05 -1.22 0.11 0.00 -1.18 0.00 0.00 61.69 59.46 1ht1 s THR 107 Cb -0.16 -3.25 0.12 0.00 1.34 0.00 0.00 72.50 70.55 1ht1 s THR 107 CO -0.21 -0.15 1.34 0.61 -0.54 0.00 0.00 174.62 175.67 1ht1 n GLY 108 N -1.50 -0.83 2.86 3.99 0.00 -1.26 -3.21 105.19 105.23 1ht1 n GLY 108 Ca -0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1ht1 n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ht1 n ASN 109 N -1.44 7.22 -3.49 1.61 4.13 -1.26 -4.07 115.26 117.95 1ht1 n ASN 109 Ca 0.04 -3.82 -0.17 0.00 1.68 0.00 0.00 54.58 52.30 1ht1 n ASN 109 Cb 0.12 -1.01 -0.04 0.00 -1.54 0.00 0.00 39.78 37.32 1ht1 n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ht1 n GLY 110 N -0.52 -0.12 3.12 7.41 0.00 -1.20 -4.86 105.19 109.02 1ht1 n GLY 110 Ca 0.52 0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 1ht1 n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ht1 s ASP 111 N -3.79 2.52 -0.64 1.61 3.68 -1.25 -4.97 116.67 113.82 1ht1 s ASP 111 Ca 0.04 -0.45 0.06 0.00 2.13 0.00 0.00 52.55 54.33 1ht1 s ASP 111 Cb -0.02 -1.15 0.22 0.00 -1.45 0.00 0.00 42.92 40.52 1ht1 s ASP 111 CO 0.49 0.09 0.66 0.52 0.13 0.00 0.00 175.17 177.06 1ht1 n VAL 112 N 3.77 1.94 -2.08 1.11 0.31 -1.26 -1.89 118.33 120.22 1ht1 n VAL 112 Ca -0.20 -5.03 -0.38 0.00 -0.01 0.00 0.00 64.34 58.72 1ht1 n VAL 112 Cb 0.52 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1ht1 n VAL 112 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ht1 s VAL 113 N -2.08 2.71 -0.49 2.52 1.01 -1.21 -4.72 120.40 118.15 1ht1 s VAL 113 Ca 0.35 0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.93 1ht1 s VAL 113 Cb 0.09 -3.30 0.17 0.00 0.00 0.00 0.00 36.38 33.34 1ht1 s VAL 113 CO -0.07 0.02 0.36 -1.58 0.00 0.00 0.00 175.10 173.84 1ht1 s GLN 114 N -2.63 1.32 0.76 2.72 0.74 -1.26 -0.04 119.66 121.27 1ht1 s GLN 114 Ca 0.64 -2.38 -0.14 0.00 0.05 0.00 0.00 55.36 53.53 1ht1 s GLN 114 Cb -0.34 -2.01 -0.12 0.00 1.10 0.00 0.00 33.01 31.64 1ht1 s GLN 114 CO 0.42 -1.33 -0.59 -0.35 -0.55 0.00 0.00 175.29 172.88 1ht1 n PRO 115 N 2.74 0.00 0.00 1.67 -0.04 -1.26 -4.79 135.00 133.32 1ht1 n PRO 115 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1ht1 n PRO 115 Cb 0.43 -0.82 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 1ht1 n PRO 115 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ht1 n GLU 116 N 1.94 0.00 -1.15 0.54 4.71 -1.26 -2.35 120.64 123.07 1ht1 n GLU 116 Ca -0.01 0.40 -0.24 0.00 -0.01 0.00 0.00 57.16 57.30 1ht1 n GLU 116 Cb 0.45 -0.80 0.15 0.00 -1.01 0.00 0.00 31.44 30.23 1ht1 n GLU 116 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ht1 n ASN 117 N -0.91 4.46 -0.67 1.62 3.02 -1.26 -4.80 115.26 116.72 1ht1 n ASN 117 Ca 0.00 -3.51 -0.09 0.00 -0.03 0.00 0.00 54.58 50.95 1ht1 n ASN 117 Cb 0.00 -0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 38.29 1ht1 n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ht1 n ASP 118 N -0.94 -4.10 -4.50 6.41 9.92 -0.99 -4.68 116.55 117.67 1ht1 n ASP 118 Ca 0.55 0.22 -0.43 0.00 -0.53 0.00 0.00 54.79 54.60 1ht1 n ASP 118 Cb 1.39 -2.37 -0.04 0.00 -0.64 0.00 0.00 41.12 39.46 1ht1 n ASP 118 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ht1 s LEU 119 N -1.98 4.27 -0.20 0.64 2.96 -1.26 -4.53 118.68 118.58 1ht1 s LEU 119 Ca 0.00 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.33 1ht1 s LEU 119 Cb 0.00 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1ht1 s LEU 119 CO 0.00 -1.19 0.08 -0.63 -1.32 0.00 0.00 176.35 173.29 1ht1 s ILE 120 N 3.74 4.84 -0.41 6.68 1.01 -0.79 -4.67 121.20 131.60 1ht1 s ILE 120 Ca 0.27 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.94 1ht1 s ILE 120 Cb -0.14 -3.20 0.17 0.00 0.01 0.00 0.00 42.46 39.29 1ht1 s ILE 120 CO 0.17 0.42 0.35 0.00 0.00 0.00 0.00 174.94 175.89 1ht1 s ALA 121 N 0.66 0.91 0.55 9.38 0.00 -1.26 -0.69 121.76 131.31 1ht1 s ALA 121 Ca 0.04 -2.09 0.04 0.00 0.00 0.00 0.00 51.96 49.95 1ht1 s ALA 121 Cb -0.13 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.33 1ht1 s ALA 121 CO 0.01 -2.03 0.76 0.96 0.00 0.00 0.00 175.76 175.47 1ht1 s ILE 122 N 0.38 2.55 0.00 0.00 -4.36 -0.98 -4.10 121.20 114.69 1ht1 s ILE 122 Ca 0.29 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 1ht1 s ILE 122 Cb -0.02 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 40.96 1ht1 s ILE 122 CO -0.14 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1ht1 n GLY 123 N -2.28 0.57 0.39 6.27 0.00 -1.26 -2.28 105.19 106.60 1ht1 n GLY 123 Ca 0.11 -1.78 0.18 0.00 0.00 0.00 0.00 46.02 44.53 1ht1 n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ht1 h SER 124 N 0.00 0.28 -0.21 1.61 4.64 -1.56 0.31 113.55 118.63 1ht1 h SER 124 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1ht1 h SER 124 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1ht1 h SER 124 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 1ht1 n GLY 125 N -1.56 1.09 0.38 -0.77 0.00 -1.16 -4.62 105.19 98.54 1ht1 n GLY 125 Ca 0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1ht1 n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ht1 h GLY 126 N 4.71 -0.19 0.22 -0.02 0.00 -0.40 -1.98 103.07 105.42 1ht1 h GLY 126 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1ht1 h GLY 126 CO 0.00 -0.17 -0.27 -2.55 0.00 0.00 0.00 176.54 173.55 1ht1 h PRO 127 N -0.10 -0.33 -0.22 4.80 0.11 -1.78 0.42 132.00 134.90 1ht1 h PRO 127 Ca 0.26 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.45 1ht1 h PRO 127 Cb 0.56 0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.68 1ht1 h PRO 127 CO -0.82 -0.22 -0.25 1.88 -0.21 0.00 0.00 178.00 178.38 1ht1 h TYR 128 N -0.34 -0.68 -0.98 0.65 0.05 -1.74 0.52 116.97 114.45 1ht1 h TYR 128 Ca 0.10 0.04 0.11 0.00 0.05 0.00 0.00 58.73 59.03 1ht1 h TYR 128 Cb 0.49 0.33 -0.08 0.00 1.01 0.00 0.00 36.73 38.48 1ht1 h TYR 128 CO -0.37 -0.33 0.61 0.00 -1.05 0.00 0.00 178.16 177.02 1ht1 h ALA 129 N 0.73 1.47 -0.44 3.88 0.00 -0.96 -0.08 119.26 123.86 1ht1 h ALA 129 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ht1 h ALA 129 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ht1 h ALA 129 CO -0.37 0.23 0.16 0.37 0.00 0.00 0.00 179.25 179.63 1ht1 h GLN 130 N 0.98 0.67 -0.38 0.00 4.15 0.14 0.94 115.11 121.61 1ht1 h GLN 130 Ca 0.48 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.82 1ht1 h GLN 130 Cb 0.45 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1ht1 h GLN 130 CO -0.26 0.63 0.13 0.00 -1.93 0.00 0.00 178.83 177.40 1ht1 h ALA 131 N 1.01 0.44 -0.07 3.38 0.00 0.17 0.65 119.26 124.84 1ht1 h ALA 131 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ht1 h ALA 131 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ht1 h ALA 131 CO -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 179.25 178.82 1ht1 h ALA 132 N 1.25 0.11 -0.78 0.00 0.00 -1.18 -2.79 119.26 115.86 1ht1 h ALA 132 Ca 0.17 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1ht1 h ALA 132 Cb 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1ht1 h ALA 132 CO -0.18 0.03 0.52 0.00 0.00 0.00 0.00 179.25 179.62 1ht1 h ALA 133 N 0.47 1.95 0.73 0.00 0.00 -0.64 -1.42 119.26 120.36 1ht1 h ALA 133 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ht1 h ALA 133 Cb 0.76 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ht1 h ALA 133 CO 0.04 -0.15 -0.35 -0.09 0.00 0.00 0.00 179.25 178.69 1ht1 h ARG 134 N 0.56 -0.95 -0.78 0.00 9.65 -0.84 -1.02 114.38 121.01 1ht1 h ARG 134 Ca 0.38 0.06 0.18 0.00 -1.10 0.00 0.00 59.98 59.51 1ht1 h ARG 134 Cb 0.70 0.21 -0.13 0.00 -1.39 0.00 0.00 29.97 29.37 1ht1 h ARG 134 CO -0.14 -0.62 0.12 0.00 2.80 0.00 0.00 179.97 182.13 1ht1 h ALA 135 N -1.19 0.96 -0.20 2.80 0.00 -1.12 -1.88 119.26 118.63 1ht1 h ALA 135 Ca -0.10 0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1ht1 h ALA 135 Cb 0.76 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ht1 h ALA 135 CO 0.16 -0.41 -0.47 -0.07 0.00 0.00 0.00 179.25 178.46 1ht1 h LEU 136 N 0.18 0.77 0.00 0.00 4.07 -1.29 -2.32 115.31 116.72 1ht1 h LEU 136 Ca 0.45 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1ht1 h LEU 136 Cb 0.81 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1ht1 h LEU 136 CO -0.61 1.19 0.00 -0.11 -1.08 0.00 0.00 178.44 177.83 1ht1 n LEU 137 N -4.17 0.00 0.00 1.67 7.94 -0.39 -2.04 117.00 120.01 1ht1 n LEU 137 Ca -0.06 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 1ht1 n LEU 137 Cb 0.58 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1ht1 n LEU 137 CO 0.47 -0.23 0.16 -0.62 -1.11 0.00 0.00 177.39 176.06 1ht1 n GLU 138 N -1.36 0.61 -0.43 1.96 1.02 -0.94 -4.75 120.64 116.74 1ht1 n GLU 138 Ca 0.04 -0.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1ht1 n GLU 138 Cb 0.09 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 1ht1 n GLU 138 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ht1 n ASN 139 N -0.18 0.00 -3.66 1.62 3.02 -0.88 -5.08 115.26 110.11 1ht1 n ASN 139 Ca 0.00 -1.86 -0.15 0.00 -0.03 0.00 0.00 54.58 52.54 1ht1 n ASN 139 Cb 0.04 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 1ht1 n ASN 139 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ht1 s THR 140 N 0.00 0.03 -0.87 3.41 -4.23 -0.87 -4.98 115.64 108.13 1ht1 s THR 140 Ca 0.00 -0.24 0.09 0.00 -1.18 0.00 0.00 61.69 60.36 1ht1 s THR 140 Cb 0.00 -0.78 0.45 0.00 1.34 0.00 0.00 72.50 73.52 1ht1 s THR 140 CO 0.00 -0.13 1.24 -0.62 -0.54 0.00 0.00 174.62 174.57 1ht1 n GLU 141 N 1.26 2.99 -1.24 3.99 -0.58 -1.26 -4.70 120.64 121.10 1ht1 n GLU 141 Ca -0.20 -1.76 -0.34 0.00 -0.42 0.00 0.00 57.16 54.44 1ht1 n GLU 141 Cb 0.56 -1.82 0.12 0.00 -0.57 0.00 0.00 31.44 29.73 1ht1 n GLU 141 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ht1 n LEU 142 N 0.44 4.77 -4.95 -4.62 4.77 -1.26 -5.01 117.00 111.14 1ht1 n LEU 142 Ca 0.16 0.64 -0.26 0.00 -0.03 0.00 0.00 56.01 56.51 1ht1 n LEU 142 Cb 0.71 -1.52 0.12 0.00 -2.33 0.00 0.00 43.42 40.40 1ht1 n LEU 142 CO 0.17 -1.55 0.68 -0.94 -1.33 0.00 0.00 177.39 174.42 1ht1 s SER 143 N -1.96 4.11 0.17 -1.43 1.04 -1.26 -4.86 113.70 109.51 1ht1 s SER 143 Ca 0.75 0.12 -0.15 0.00 0.48 0.00 0.00 55.95 57.15 1ht1 s SER 143 Cb -0.31 -0.48 0.10 0.00 0.10 0.00 0.00 66.02 65.43 1ht1 s SER 143 CO 0.48 -2.05 1.75 0.00 0.98 0.00 0.00 173.24 174.40 1ht1 h ALA 144 N -0.91 0.48 -0.49 5.32 0.00 -1.83 -0.77 119.26 121.06 1ht1 h ALA 144 Ca -0.42 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1ht1 h ALA 144 Cb 1.27 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1ht1 h ALA 144 CO 0.46 -0.25 -0.03 -0.09 0.00 0.00 0.00 179.25 179.35 1ht1 h ARG 145 N 0.30 0.84 -0.45 0.00 2.43 -1.89 -0.41 114.38 115.21 1ht1 h ARG 145 Ca 0.19 -0.25 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 1ht1 h ARG 145 Cb 0.18 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ht1 h ARG 145 CO -0.20 0.86 -0.24 0.93 -1.51 0.00 0.00 179.97 179.81 1ht1 h GLU 146 N 0.78 0.94 -0.10 0.20 5.08 -1.81 -1.97 114.58 117.70 1ht1 h GLU 146 Ca 0.14 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 1ht1 h GLU 146 Cb 0.51 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ht1 h GLU 146 CO 0.03 1.07 -0.12 0.82 -1.00 0.00 0.00 179.01 179.80 1ht1 h ILE 147 N 0.81 1.37 -0.00 3.13 2.04 -0.98 -1.72 117.51 122.15 1ht1 h ILE 147 Ca 0.10 -1.32 0.03 0.00 1.00 0.00 0.00 64.86 64.68 1ht1 h ILE 147 Cb 0.81 2.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1ht1 h ILE 147 CO 0.07 0.38 -0.30 0.00 0.00 0.00 0.00 178.15 178.29 1ht1 h ALA 148 N 0.56 -0.43 -0.03 1.87 0.00 -1.06 0.62 119.26 120.79 1ht1 h ALA 148 Ca 0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ht1 h ALA 148 Cb 0.66 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ht1 h ALA 148 CO 0.03 -0.81 -0.04 0.93 0.00 0.00 0.00 179.25 179.35 1ht1 h GLU 149 N -0.45 -0.06 -0.64 0.00 4.39 -1.40 0.25 114.58 116.67 1ht1 h GLU 149 Ca 0.06 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1ht1 h GLU 149 Cb 0.54 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1ht1 h GLU 149 CO -0.26 -0.04 0.09 0.87 -1.16 0.00 0.00 179.01 178.51 1ht1 h LYS 150 N -0.07 1.06 -0.05 2.33 1.57 -1.08 -0.23 116.57 120.11 1ht1 h LYS 150 Ca 0.03 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1ht1 h LYS 150 Cb 0.10 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ht1 h LYS 150 CO -0.07 0.98 0.01 0.00 -0.57 0.00 0.00 179.45 179.81 1ht1 h ALA 151 N 1.09 0.06 -0.60 3.86 0.00 0.45 -2.23 119.26 121.89 1ht1 h ALA 151 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ht1 h ALA 151 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ht1 h ALA 151 CO 0.01 -0.32 0.30 1.25 0.00 0.00 0.00 179.25 180.49 1ht1 h LEU 152 N -0.13 0.76 -0.70 0.00 6.46 -0.37 -1.22 115.31 120.11 1ht1 h LEU 152 Ca 0.02 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1ht1 h LEU 152 Cb 0.23 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.94 1ht1 h LEU 152 CO -0.00 0.64 0.10 0.44 -0.62 0.00 0.00 178.44 179.00 1ht1 h ASP 153 N 0.85 1.06 -0.14 1.25 3.45 -0.91 -0.95 116.42 121.02 1ht1 h ASP 153 Ca 0.21 -0.26 -0.11 0.00 0.43 0.00 0.00 57.03 57.31 1ht1 h ASP 153 Cb 0.08 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 1ht1 h ASP 153 CO -0.03 1.05 -0.25 0.40 -1.57 0.00 0.00 179.24 178.84 1ht1 h ILE 154 N 1.03 1.27 -0.43 0.35 2.04 -0.87 -2.15 117.51 118.74 1ht1 h ILE 154 Ca 0.20 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.67 1ht1 h ILE 154 Cb 0.45 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1ht1 h ILE 154 CO 0.01 0.43 -0.03 0.00 0.00 0.00 0.00 178.15 178.56 1ht1 h ALA 155 N 1.20 1.15 0.00 1.87 0.00 -0.85 -2.05 119.26 120.58 1ht1 h ALA 155 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ht1 h ALA 155 Cb 0.71 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ht1 h ALA 155 CO 0.05 0.55 0.00 0.78 0.00 0.00 0.00 179.25 180.63 1ht1 h GLY 156 N 0.95 0.00 1.15 0.00 0.00 -0.71 0.31 103.07 104.78 1ht1 h GLY 156 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1ht1 h GLY 156 CO 0.02 0.00 -1.00 -0.55 0.00 0.00 0.00 176.54 175.01 1ht1 h ASP 157 N 0.00 0.00 0.00 0.19 3.45 -0.85 -3.39 116.42 115.82 1ht1 h ASP 157 Ca 0.00 0.00 -0.44 0.00 0.43 0.00 0.00 57.03 57.02 1ht1 h ASP 157 Cb 0.70 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.41 1ht1 h ASP 157 CO 0.00 0.21 -2.39 -0.38 -1.57 0.00 0.00 179.24 175.11 1ht1 n ILE 158 N -2.82 1.53 -2.53 0.35 5.41 -0.82 -4.95 119.36 115.53 1ht1 n ILE 158 Ca -0.02 -0.35 -0.42 0.00 1.00 0.00 0.00 62.75 62.96 1ht1 n ILE 158 Cb 0.65 -1.89 -0.03 0.00 -0.71 0.00 0.00 39.64 37.66 1ht1 n ILE 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ht1 h ILE 160 N 4.63 0.00 -0.34 0.00 1.08 -1.87 -3.08 117.51 117.92 1ht1 h ILE 160 Ca -0.41 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1ht1 h ILE 160 Cb 1.22 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1ht1 h ILE 160 CO 0.79 0.00 0.00 -1.22 -0.69 0.00 0.00 178.15 177.03 1ht1 n TYR 161 N -2.55 0.44 -5.02 1.37 4.01 -1.26 -4.93 117.16 109.21 1ht1 n TYR 161 Ca 0.03 -0.30 -0.28 0.00 -0.16 0.00 0.00 57.90 57.18 1ht1 n TYR 161 Cb 0.33 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.19 1ht1 n TYR 161 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ht1 s THR 162 N -1.19 1.70 0.01 -0.72 2.01 -1.17 0.12 115.64 116.40 1ht1 s THR 162 Ca 0.31 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1ht1 s THR 162 Cb 0.17 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.24 1ht1 s THR 162 CO 0.24 0.48 0.01 -0.46 -0.69 0.00 0.00 174.62 174.20 1ht1 n ASN 163 N 3.04 0.99 -1.62 3.53 0.23 -1.26 -4.54 115.26 115.63 1ht1 n ASN 163 Ca -0.18 -1.03 0.03 0.00 -0.53 0.00 0.00 54.58 52.88 1ht1 n ASN 163 Cb 0.53 -0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.55 1ht1 n ASN 163 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1ht1 n HIS 164 N -0.53 1.84 -3.06 -2.53 8.25 -1.26 -4.62 115.22 113.30 1ht1 n HIS 164 Ca -0.00 -0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 56.11 1ht1 n HIS 164 Cb 0.01 -0.51 -0.05 0.00 1.12 0.00 0.00 29.99 30.56 1ht1 n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ht1 s PHE 165 N -2.88 3.48 0.29 4.41 5.36 -1.26 -5.02 117.98 122.36 1ht1 s PHE 165 Ca 0.51 1.12 0.11 0.00 -0.96 0.00 0.00 56.93 57.71 1ht1 s PHE 165 Cb 0.40 -2.82 -0.05 0.00 -0.34 0.00 0.00 43.02 40.22 1ht1 s PHE 165 CO 0.12 -0.04 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.74 1ht1 s HIS 166 N 1.35 2.46 -0.26 10.12 3.76 -1.26 -2.82 115.29 128.64 1ht1 s HIS 166 Ca 0.34 -0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 54.91 1ht1 s HIS 166 Cb -0.17 -1.17 0.15 0.00 1.11 0.00 0.00 32.58 32.50 1ht1 s HIS 166 CO 0.14 0.64 0.44 0.99 -0.85 0.00 0.00 174.74 176.10 1ht1 s THR 167 N -2.47 -0.71 0.15 1.30 2.01 -1.17 -5.01 115.64 109.76 1ht1 s THR 167 Ca 0.31 -0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.30 1ht1 s THR 167 Cb -0.04 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1ht1 s THR 167 CO 0.17 -0.12 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.33 1ht1 s ILE 168 N 2.62 3.66 -0.12 1.82 1.01 -1.26 -2.92 121.20 126.01 1ht1 s ILE 168 Ca 0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 1ht1 s ILE 168 Cb -0.15 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.57 1ht1 s ILE 168 CO -0.19 -0.04 0.07 -1.61 0.00 0.00 0.00 174.94 173.18 1ht1 s GLU 169 N -2.70 0.04 0.31 2.79 0.41 -0.96 -5.00 118.70 113.58 1ht1 s GLU 169 Ca 0.26 0.08 0.07 0.00 -0.41 0.00 0.00 54.97 54.97 1ht1 s GLU 169 Cb -0.10 -1.32 -0.02 0.00 -1.78 0.00 0.00 34.13 30.90 1ht1 s GLU 169 CO 0.17 -0.53 0.35 -2.00 -0.49 0.00 0.00 175.26 172.76 1ht1 s GLU 170 N 2.14 3.00 -0.05 1.61 2.12 -1.26 -2.36 118.70 123.89 1ht1 s GLU 170 Ca 0.03 -1.08 -0.04 0.00 0.36 0.00 0.00 54.97 54.25 1ht1 s GLU 170 Cb -0.14 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.60 1ht1 s GLU 170 CO -0.07 0.18 0.13 -1.17 -0.54 0.00 0.00 175.26 173.79 1ht1 s LEU 171 N -4.03 1.24 -0.06 2.70 2.96 -0.58 -4.98 118.68 115.93 1ht1 s LEU 171 Ca 0.40 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1ht1 s LEU 171 Cb -0.08 0.38 -0.00 0.00 0.50 0.00 0.00 46.19 46.99 1ht1 s LEU 171 CO 0.28 -0.08 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.60 1ht1 s SER 172 N 0.48 2.46 0.00 3.68 0.01 -1.26 -2.23 113.70 116.84 1ht1 s SER 172 Ca -0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1ht1 s SER 172 Cb -0.05 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1ht1 s SER 172 CO -0.02 0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.79 1ht1 n TYR 173 N 3.25 -0.37 0.61 2.43 0.18 -0.80 -5.02 117.16 117.44 1ht1 n TYR 173 Ca -0.19 0.00 0.05 0.00 1.88 0.00 0.00 57.90 59.64 1ht1 n TYR 173 Cb 0.53 0.00 0.29 0.00 -0.38 0.00 0.00 39.34 39.78 1ht1 n TYR 173 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41