#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofh s THR 2 N 0.00 0.09 -0.03 12.58 2.01 -1.26 -1.60 115.64 127.42 1ofh s THR 2 Ca 0.00 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.13 1ofh s THR 2 Cb 0.00 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.34 1ofh s THR 2 CO 0.00 0.12 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.42 1ofh s ILE 3 N 1.00 0.20 0.02 1.82 1.01 -0.76 -2.37 121.20 122.12 1ofh s ILE 3 Ca -0.09 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1ofh s ILE 3 Cb -0.13 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1ofh s ILE 3 CO -0.02 0.14 -0.00 0.54 0.00 0.00 0.00 174.94 175.60 1ofh s VAL 4 N 0.95 0.12 -0.01 2.92 0.11 -0.79 -1.13 120.40 122.56 1ofh s VAL 4 Ca -0.10 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 1ofh s VAL 4 Cb -0.13 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 1ofh s VAL 4 CO -0.01 -0.52 0.00 -0.55 -3.33 0.00 0.00 175.10 170.68 1ofh s SER 5 N -1.58 0.12 -0.01 3.54 0.15 -0.18 -1.58 113.70 114.16 1ofh s SER 5 Ca -0.14 -0.00 0.05 0.00 0.70 0.00 0.00 55.95 56.56 1ofh s SER 5 Cb -0.08 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 1ofh s SER 5 CO -0.01 -0.04 -0.15 -0.69 1.20 0.00 0.00 173.24 173.54 1ofh s VAL 6 N 0.41 1.18 -0.22 4.45 1.01 -0.99 -1.97 120.40 124.27 1ofh s VAL 6 Ca -0.04 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1ofh s VAL 6 Cb -0.05 -0.99 0.06 0.00 0.00 0.00 0.00 36.38 35.40 1ofh s VAL 6 CO -0.01 0.33 -0.04 -0.60 0.00 0.00 0.00 175.10 174.79 1ofh s ARG 7 N -0.34 1.41 -0.11 2.72 3.52 -0.99 -1.77 118.95 123.39 1ofh s ARG 7 Ca 0.06 -0.82 -0.23 0.00 -0.13 0.00 0.00 55.73 54.60 1ofh s ARG 7 Cb -0.06 -2.43 0.05 0.00 -1.56 0.00 0.00 34.95 30.96 1ofh s ARG 7 CO -0.01 -0.59 0.56 -0.98 -0.81 0.00 0.00 175.30 173.48 1ofh s ARG 8 N 1.52 0.82 -1.22 5.12 1.70 -0.67 -4.73 118.95 121.48 1ofh s ARG 8 Ca -0.04 0.38 -0.04 0.00 -0.47 0.00 0.00 55.73 55.56 1ofh s ARG 8 Cb -0.18 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 1ofh s ARG 8 CO -0.07 -0.20 0.52 0.09 -1.08 0.00 0.00 175.30 174.56 1ofh n ASN 9 N 1.74 -5.21 -1.17 -2.89 3.02 -1.26 -2.22 115.26 107.27 1ofh n ASN 9 Ca -0.17 -0.24 -0.13 0.00 -0.03 0.00 0.00 54.58 54.01 1ofh n ASN 9 Cb 0.56 -4.04 -0.04 0.00 -0.61 0.00 0.00 39.78 35.66 1ofh n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ofh n GLY 10 N -1.39 0.80 3.14 7.41 0.00 -1.26 -5.00 105.19 108.89 1ofh n GLY 10 Ca -0.08 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 1ofh n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ofh s GLN 11 N -3.67 1.66 -0.11 1.61 -1.52 -0.94 -4.84 119.66 111.85 1ofh s GLN 11 Ca 0.00 -0.61 0.03 0.00 -1.95 0.00 0.00 55.36 52.83 1ofh s GLN 11 Cb 0.00 -1.49 0.01 0.00 -0.22 0.00 0.00 33.01 31.31 1ofh s GLN 11 CO 0.00 0.28 -0.19 0.08 -0.25 0.00 0.00 175.29 175.21 1ofh s VAL 12 N -0.09 1.76 0.10 1.09 1.01 -1.25 -1.66 120.40 121.35 1ofh s VAL 12 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1ofh s VAL 12 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1ofh s VAL 12 CO 0.01 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.72 1ofh s VAL 13 N 0.73 1.62 -0.19 2.92 1.01 -0.73 -0.46 120.40 125.31 1ofh s VAL 13 Ca -0.11 -1.55 -0.05 0.00 0.00 0.00 0.00 61.98 60.26 1ofh s VAL 13 Cb -0.16 -1.51 0.09 0.00 0.00 0.00 0.00 36.38 34.80 1ofh s VAL 13 CO 0.02 -0.12 0.36 -0.69 0.00 0.00 0.00 175.10 174.66 1ofh s VAL 14 N -1.31 -0.56 0.22 2.92 1.01 0.16 -2.36 120.40 120.49 1ofh s VAL 14 Ca 0.06 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1ofh s VAL 14 Cb -0.09 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1ofh s VAL 14 CO 0.04 0.04 0.07 -0.83 0.00 0.00 0.00 175.10 174.42 1ofh s GLY 15 N 2.54 1.52 0.17 4.51 0.00 -0.61 -1.64 107.32 113.80 1ofh s GLY 15 Ca 0.02 -1.75 -0.24 0.00 0.00 0.00 0.00 44.72 42.75 1ofh s GLY 15 CO -0.12 -1.54 0.77 -0.32 0.00 0.00 0.00 173.10 171.89 1ofh s GLY 16 N -3.24 -0.32 0.29 0.20 0.00 -1.12 -1.88 107.32 101.25 1ofh s GLY 16 Ca 0.33 0.22 -0.05 0.00 0.00 0.00 0.00 44.72 45.23 1ofh s GLY 16 CO 0.10 0.07 0.30 2.09 0.00 0.00 0.00 173.10 175.65 1ofh n ASP 17 N -0.41 -0.90 0.00 1.64 5.75 -1.00 -1.53 116.55 120.11 1ofh n ASP 17 Ca -0.09 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1ofh n ASP 17 Cb 0.61 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1ofh n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ofh n GLY 18 N 1.27 -0.17 3.69 6.12 0.00 -0.67 -4.38 105.19 111.04 1ofh n GLY 18 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ofh n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ofh s GLN 19 N -0.11 4.35 -0.25 1.61 0.74 -1.26 -1.51 119.66 123.22 1ofh s GLN 19 Ca 0.00 1.69 -0.02 0.00 0.05 0.00 0.00 55.36 57.08 1ofh s GLN 19 Cb 0.00 -3.56 0.02 0.00 1.10 0.00 0.00 33.01 30.57 1ofh s GLN 19 CO 0.00 -0.46 -0.05 0.08 -0.55 0.00 0.00 175.29 174.32 1ofh s VAL 20 N 2.22 3.01 -0.04 1.34 1.01 0.15 -4.66 120.40 123.45 1ofh s VAL 20 Ca 0.56 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1ofh s VAL 20 Cb -0.25 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1ofh s VAL 20 CO 0.22 0.21 -0.24 -0.94 0.00 0.00 0.00 175.10 174.36 1ofh s SER 21 N 1.36 2.88 -0.44 3.32 1.04 -1.26 -0.05 113.70 120.54 1ofh s SER 21 Ca 0.01 -0.46 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 1ofh s SER 21 Cb -0.16 -0.59 0.10 0.00 0.10 0.00 0.00 66.02 65.46 1ofh s SER 21 CO -0.04 0.26 0.30 -0.22 0.98 0.00 0.00 173.24 174.51 1ofh s LEU 22 N -0.31 5.39 0.00 2.42 2.96 0.54 -4.93 118.68 124.74 1ofh s LEU 22 Ca 0.02 -1.69 0.00 0.00 -0.22 0.00 0.00 54.13 52.24 1ofh s LEU 22 Cb -0.12 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1ofh s LEU 22 CO 0.02 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 175.05 1ofh n GLY 23 N 4.91 1.64 1.87 7.98 0.00 -1.26 -2.32 105.19 118.01 1ofh n GLY 23 Ca -0.09 -0.48 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1ofh n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ofh n ASN 24 N 5.75 5.66 -4.25 1.61 5.03 -1.26 -4.90 115.26 122.90 1ofh n ASN 24 Ca 0.00 -2.88 -0.27 0.00 0.87 0.00 0.00 54.58 52.30 1ofh n ASN 24 Cb 0.00 -0.68 -0.15 0.00 -1.02 0.00 0.00 39.78 37.93 1ofh n ASN 24 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1ofh s THR 25 N -2.66 1.72 0.35 3.41 -4.23 -0.98 -5.13 115.64 108.12 1ofh s THR 25 Ca 0.55 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 1ofh s THR 25 Cb 0.41 -1.46 -0.10 0.00 1.34 0.00 0.00 72.50 72.70 1ofh s THR 25 CO 0.17 0.37 0.84 -0.69 -0.54 0.00 0.00 174.62 174.78 1ofh s VAL 26 N -0.63 4.50 -0.04 2.29 1.01 -1.26 -0.34 120.40 125.93 1ofh s VAL 26 Ca 0.08 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 1ofh s VAL 26 Cb -0.09 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1ofh s VAL 26 CO 0.00 -0.16 -0.05 0.80 0.00 0.00 0.00 175.10 175.70 1ofh n MET 27 N -0.25 0.11 -3.83 2.72 1.56 0.93 -4.81 117.12 113.55 1ofh n MET 27 Ca 0.04 0.03 -0.12 0.00 -0.27 0.00 0.00 57.70 57.38 1ofh n MET 27 Cb 0.53 -0.95 -0.11 0.00 2.15 0.00 0.00 33.22 34.84 1ofh n MET 27 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1ofh s LYS 28 N -2.09 0.34 0.00 2.12 2.20 -1.07 -5.01 119.74 116.23 1ofh s LYS 28 Ca -0.06 -0.00 0.02 0.00 -0.36 0.00 0.00 55.97 55.57 1ofh s LYS 28 Cb 0.02 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.53 1ofh s LYS 28 CO 0.09 -0.07 0.87 0.41 -0.36 0.00 0.00 175.35 176.29 1ofh n GLY 29 N 2.33 1.34 2.20 5.54 0.00 -1.26 0.34 105.19 115.68 1ofh n GLY 29 Ca -0.17 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1ofh n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ofh n ASN 30 N -0.14 4.52 -4.82 1.61 0.23 -1.15 -4.09 115.26 111.41 1ofh n ASN 30 Ca 0.02 -3.57 -0.35 0.00 -0.53 0.00 0.00 54.58 50.14 1ofh n ASN 30 Cb 0.20 -0.38 -0.06 0.00 -2.08 0.00 0.00 39.78 37.45 1ofh n ASN 30 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ofh s ALA 31 N -3.59 3.38 -0.53 -2.53 0.00 -0.57 -5.02 121.76 112.89 1ofh s ALA 31 Ca 0.48 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 1ofh s ALA 31 Cb 0.40 -2.82 0.12 0.00 0.00 0.00 0.00 23.12 20.82 1ofh s ALA 31 CO -0.01 0.32 0.49 1.03 0.00 0.00 0.00 175.76 177.59 1ofh s ARG 32 N -2.27 2.99 0.00 0.00 0.52 -1.26 -4.24 118.95 114.69 1ofh s ARG 32 Ca 0.46 -1.65 0.21 0.00 -0.52 0.00 0.00 55.73 54.24 1ofh s ARG 32 Cb -0.15 -4.28 0.59 0.00 0.52 0.00 0.00 34.95 31.63 1ofh s ARG 32 CO 0.20 -1.29 1.47 1.63 0.02 0.00 0.00 175.30 177.32 1ofh n LYS 33 N 5.28 2.04 -4.22 3.54 5.02 -1.26 -4.79 118.16 123.77 1ofh n LYS 33 Ca -0.14 -1.58 -0.23 0.00 -2.02 0.00 0.00 58.31 54.35 1ofh n LYS 33 Cb 0.41 -1.43 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1ofh n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ofh s VAL 34 N -1.64 0.80 0.12 -0.18 1.01 -1.26 -1.50 120.40 117.75 1ofh s VAL 34 Ca 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1ofh s VAL 34 Cb 0.19 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1ofh s VAL 34 CO 0.27 0.30 0.10 -0.13 0.00 0.00 0.00 175.10 175.64 1ofh s ARG 35 N 1.07 0.92 -0.12 2.72 0.52 0.62 -4.96 118.95 119.72 1ofh s ARG 35 Ca -0.08 -1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 53.73 1ofh s ARG 35 Cb -0.14 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 1ofh s ARG 35 CO -0.01 -0.27 0.21 1.03 0.02 0.00 0.00 175.30 176.28 1ofh s ARG 36 N -3.99 3.81 0.41 3.54 0.52 -1.26 -1.51 118.95 120.46 1ofh s ARG 36 Ca 0.18 -0.02 0.06 0.00 -0.52 0.00 0.00 55.73 55.43 1ofh s ARG 36 Cb 0.06 -3.28 -0.08 0.00 0.52 0.00 0.00 34.95 32.18 1ofh s ARG 36 CO -0.02 0.58 0.01 -0.51 0.02 0.00 0.00 175.30 175.38 1ofh s LEU 37 N -0.50 2.80 -0.62 2.53 1.43 -0.22 -4.63 118.68 119.48 1ofh s LEU 37 Ca 0.15 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.68 1ofh s LEU 37 Cb -0.13 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.27 1ofh s LEU 37 CO 0.04 -0.48 0.64 0.00 0.23 0.00 0.00 176.35 176.78 1ofh n TYR 38 N -0.96 -2.55 -3.14 0.29 -0.00 -1.26 -1.10 117.16 108.43 1ofh n TYR 38 Ca -0.05 1.05 -0.23 0.00 -0.00 0.00 0.00 57.90 58.66 1ofh n TYR 38 Cb 0.67 -2.60 0.03 0.00 -0.00 0.00 0.00 39.34 37.44 1ofh n TYR 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1ofh n ASN 39 N -1.28 -5.50 -3.55 2.98 3.02 -1.26 -1.88 115.26 107.80 1ofh n ASN 39 Ca -0.15 -0.33 -0.26 0.00 -0.03 0.00 0.00 54.58 53.81 1ofh n ASN 39 Cb 0.65 -4.46 0.03 0.00 -0.61 0.00 0.00 39.78 35.39 1ofh n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ofh n GLY 40 N -1.45 -0.51 0.14 7.41 0.00 -0.72 -4.88 105.19 105.18 1ofh n GLY 40 Ca -0.08 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.12 1ofh n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ofh n LYS 41 N -4.36 2.86 -3.76 1.61 5.02 -0.26 -4.85 118.16 114.42 1ofh n LYS 41 Ca -0.01 -1.70 -0.14 0.00 -2.02 0.00 0.00 58.31 54.45 1ofh n LYS 41 Cb 0.55 -1.10 -0.14 0.00 -0.02 0.00 0.00 35.03 34.32 1ofh n LYS 41 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ofh s VAL 42 N -1.16 -0.04 0.02 -0.18 -7.23 -1.03 -4.67 120.40 106.11 1ofh s VAL 42 Ca 0.07 0.16 -0.16 0.00 -1.81 0.00 0.00 61.98 60.24 1ofh s VAL 42 Cb 0.05 -0.22 -0.06 0.00 0.56 0.00 0.00 36.38 36.71 1ofh s VAL 42 CO 0.03 0.07 0.45 -0.76 -0.31 0.00 0.00 175.10 174.58 1ofh s LEU 43 N 1.03 4.49 -0.04 1.32 1.43 0.96 -1.06 118.68 126.80 1ofh s LEU 43 Ca -0.08 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1ofh s LEU 43 Cb -0.10 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.47 1ofh s LEU 43 CO -0.05 0.30 0.09 0.00 0.23 0.00 0.00 176.35 176.92 1ofh s ALA 44 N -1.05 -0.11 -0.02 4.21 0.00 -0.57 -0.88 121.76 123.34 1ofh s ALA 44 Ca 0.25 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.70 1ofh s ALA 44 Cb -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1ofh s ALA 44 CO 0.15 -0.12 -0.13 0.20 0.00 0.00 0.00 175.76 175.86 1ofh s GLY 45 N 0.96 0.66 0.17 0.00 0.00 0.21 -0.27 107.32 109.05 1ofh s GLY 45 Ca -0.08 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.20 1ofh s GLY 45 CO -0.04 -0.36 -0.18 -0.11 0.00 0.00 0.00 173.10 172.42 1ofh s PHE 46 N -0.13 1.80 0.01 1.90 -0.71 -0.56 -0.78 117.98 119.51 1ofh s PHE 46 Ca 0.02 -0.48 -0.06 0.00 -1.04 0.00 0.00 56.93 55.37 1ofh s PHE 46 Cb -0.07 -0.89 -0.00 0.00 -1.21 0.00 0.00 43.02 40.85 1ofh s PHE 46 CO 0.00 0.33 0.11 0.00 -1.34 0.00 0.00 175.22 174.32 1ofh s ALA 47 N -2.16 -0.21 0.00 1.99 0.00 -0.34 -4.93 121.76 116.12 1ofh s ALA 47 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1ofh s ALA 47 Cb -0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1ofh s ALA 47 CO 0.07 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1ofh n GLY 48 N 1.29 0.26 3.70 0.00 0.00 -1.26 -0.62 105.19 108.55 1ofh n GLY 48 Ca -0.22 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 1ofh n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ofh n GLY 49 N 0.00 1.52 0.28 -0.02 0.00 -0.69 -4.82 105.19 101.47 1ofh n GLY 49 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.75 1ofh n GLY 49 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ofh h THR 50 N 4.06 0.44 0.04 2.61 1.35 -1.95 0.51 112.91 119.97 1ofh h THR 50 Ca -0.44 -0.08 -0.19 0.00 -0.55 0.00 0.00 66.41 65.15 1ofh h THR 50 Cb 1.22 0.20 0.02 0.00 -1.73 0.00 0.00 68.15 67.85 1ofh h THR 50 CO 0.95 0.04 -0.76 0.00 -0.25 0.00 0.00 175.52 175.49 1ofh h ALA 51 N 1.66 0.04 -0.77 6.62 0.00 -1.98 -3.05 119.26 121.79 1ofh h ALA 51 Ca 0.44 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ofh h ALA 51 Cb 0.79 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1ofh h ALA 51 CO -0.57 0.43 0.39 -0.44 0.00 0.00 0.00 179.25 179.06 1ofh h ASP 52 N -0.04 0.97 0.32 0.00 3.32 -1.71 -2.06 116.42 117.22 1ofh h ASP 52 Ca -0.11 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1ofh h ASP 52 Cb 1.48 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1ofh h ASP 52 CO 0.15 0.81 -0.16 0.00 -1.72 0.00 0.00 179.24 178.32 1ofh h ALA 53 N 1.35 -0.43 -0.96 3.45 0.00 -0.08 -0.83 119.26 121.75 1ofh h ALA 53 Ca 0.27 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ofh h ALA 53 Cb 0.08 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 1ofh h ALA 53 CO -0.04 -0.74 0.63 0.74 0.00 0.00 0.00 179.25 179.84 1ofh h PHE 54 N -0.45 1.16 -0.02 0.00 -1.00 -1.40 0.92 116.94 116.15 1ofh h PHE 54 Ca -0.04 0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 1ofh h PHE 54 Cb 0.34 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1ofh h PHE 54 CO -0.05 0.65 -0.54 0.00 -1.61 0.00 0.00 178.31 176.76 1ofh h THR 55 N 1.18 1.38 -0.26 -1.55 1.03 -1.23 0.17 112.91 113.64 1ofh h THR 55 Ca 0.39 -1.85 -0.16 0.00 -0.01 0.00 0.00 66.41 64.78 1ofh h THR 55 Cb 0.05 1.98 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1ofh h THR 55 CO -0.13 0.53 -0.46 0.25 -0.01 0.00 0.00 175.52 175.71 1ofh h LEU 56 N 0.04 0.84 0.73 0.00 6.46 -0.10 -1.09 115.31 122.20 1ofh h LEU 56 Ca -0.00 -0.53 -0.04 0.00 -0.12 0.00 0.00 57.88 57.19 1ofh h LEU 56 Cb 0.97 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 40.67 1ofh h LEU 56 CO 0.07 1.21 -0.35 0.15 -0.62 0.00 0.00 178.44 178.91 1ofh h PHE 57 N 0.50 -0.91 -0.35 1.25 3.04 -0.68 -2.18 116.94 117.61 1ofh h PHE 57 Ca 0.02 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.01 1ofh h PHE 57 Cb 1.06 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 39.81 1ofh h PHE 57 CO 0.08 -0.55 -0.05 0.93 -2.02 0.00 0.00 178.31 176.70 1ofh h GLU 58 N -1.03 0.04 -0.88 1.11 5.08 -0.67 -0.92 114.58 117.31 1ofh h GLU 58 Ca -0.10 -0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1ofh h GLU 58 Cb 0.76 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 1ofh h GLU 58 CO 0.16 0.03 0.51 1.25 -1.00 0.00 0.00 179.01 179.96 1ofh h LEU 59 N 0.04 0.72 -0.58 1.33 5.85 -1.16 -1.56 115.31 119.94 1ofh h LEU 59 Ca 0.17 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 1ofh h LEU 59 Cb 0.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1ofh h LEU 59 CO -0.33 0.38 0.01 0.15 -0.34 0.00 0.00 178.44 178.31 1ofh h PHE 60 N 0.81 1.11 -0.89 1.25 3.57 -0.56 -2.99 116.94 119.24 1ofh h PHE 60 Ca 0.44 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1ofh h PHE 60 Cb 0.47 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 1ofh h PHE 60 CO -0.05 0.98 0.56 1.49 -2.23 0.00 0.00 178.31 179.07 1ofh h GLU 61 N 0.91 1.18 -0.65 1.11 4.81 -0.25 -0.93 114.58 120.76 1ofh h GLU 61 Ca 0.17 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1ofh h GLU 61 Cb 0.53 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1ofh h GLU 61 CO 0.03 0.81 0.43 0.00 -0.73 0.00 0.00 179.01 179.54 1ofh h ARG 62 N 1.21 0.77 0.76 1.92 3.08 -1.26 -2.48 114.38 118.38 1ofh h ARG 62 Ca 0.32 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1ofh h ARG 62 Cb -0.10 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 29.79 1ofh h ARG 62 CO -0.07 0.51 -0.36 -0.22 -1.07 0.00 0.00 179.97 178.76 1ofh h LYS 63 N 0.79 -0.98 -1.04 0.04 1.63 -1.06 -2.20 116.57 113.75 1ofh h LYS 63 Ca 0.26 0.07 0.34 0.00 -0.85 0.00 0.00 60.65 60.46 1ofh h LYS 63 Cb 0.05 0.22 -0.15 0.00 -0.60 0.00 0.00 32.23 31.75 1ofh h LYS 63 CO -0.07 -0.64 0.60 -0.07 -3.45 0.00 0.00 179.45 175.83 1ofh h LEU 64 N -1.16 0.47 -0.77 5.20 3.38 -1.13 0.42 115.31 121.71 1ofh h LEU 64 Ca -0.10 0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1ofh h LEU 64 Cb 0.80 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1ofh h LEU 64 CO 0.17 -0.15 -0.18 -0.33 0.09 0.00 0.00 178.44 178.05 1ofh h GLU 65 N 0.28 0.74 0.00 1.13 4.39 -1.18 -1.99 114.58 117.95 1ofh h GLU 65 Ca 0.74 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1ofh h GLU 65 Cb 1.80 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1ofh h GLU 65 CO -0.58 0.87 0.00 -1.33 -1.16 0.00 0.00 179.01 176.81 1ofh n MET 66 N -4.14 0.99 -4.00 2.33 2.81 0.14 -4.78 117.12 110.48 1ofh n MET 66 Ca 0.01 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.69 1ofh n MET 66 Cb 0.40 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 1ofh n MET 66 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1ofh n HIS 67 N -0.97 0.05 0.72 2.03 8.25 -1.01 -5.00 115.22 119.30 1ofh n HIS 67 Ca 0.22 -2.20 -0.03 0.00 -0.26 0.00 0.00 57.72 55.45 1ofh n HIS 67 Cb 0.10 0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.25 1ofh n HIS 67 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ofh n GLN 68 N -0.75 1.18 -1.46 -0.41 3.00 -1.26 -4.72 117.38 112.95 1ofh n GLN 68 Ca -0.04 -0.38 -0.05 0.00 -0.01 0.00 0.00 57.00 56.53 1ofh n GLN 68 Cb 0.51 -1.17 -0.01 0.00 0.00 0.00 0.00 30.24 29.56 1ofh n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ofh n GLY 69 N 0.28 0.54 3.61 1.08 0.00 -0.77 -4.98 105.19 104.95 1ofh n GLY 69 Ca 0.07 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1ofh n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ofh s HIS 70 N -2.19 2.52 0.13 1.61 3.76 -1.26 -4.94 115.29 114.92 1ofh s HIS 70 Ca 0.00 0.72 -0.32 0.00 -0.15 0.00 0.00 55.06 55.31 1ofh s HIS 70 Cb 0.00 -4.26 -0.09 0.00 1.11 0.00 0.00 32.58 29.34 1ofh s HIS 70 CO 0.00 -1.82 1.56 1.25 -0.85 0.00 0.00 174.74 174.88 1ofh h LEU 71 N 11.81 -1.69 0.37 0.89 7.12 -1.98 -0.22 115.31 131.62 1ofh h LEU 71 Ca -0.27 0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 1ofh h LEU 71 Cb 1.10 0.68 -0.01 0.00 -0.53 0.00 0.00 40.66 41.90 1ofh h LEU 71 CO 1.08 -0.43 -0.32 0.25 -0.13 0.00 0.00 178.44 178.89 1ofh h LEU 72 N -0.47 -0.87 -0.75 2.25 7.12 -1.97 -0.13 115.31 120.48 1ofh h LEU 72 Ca 0.07 0.06 0.17 0.00 0.13 0.00 0.00 57.88 58.31 1ofh h LEU 72 Cb 0.63 0.28 -0.12 0.00 -0.53 0.00 0.00 40.66 40.92 1ofh h LEU 72 CO -0.51 -0.44 0.14 0.50 -0.13 0.00 0.00 178.44 177.99 1ofh h LYS 73 N -0.68 0.21 -0.11 1.25 1.63 -1.97 -0.42 116.57 116.48 1ofh h LYS 73 Ca -0.05 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ofh h LYS 73 Cb 0.58 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1ofh h LYS 73 CO -0.01 0.14 0.02 0.77 -3.45 0.00 0.00 179.45 176.91 1ofh h SER 74 N 0.21 0.01 -0.54 4.20 0.02 -0.76 -1.15 113.55 115.55 1ofh h SER 74 Ca 0.43 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.46 1ofh h SER 74 Cb 0.76 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 1ofh h SER 74 CO -0.57 0.02 0.23 0.00 -1.14 0.00 0.00 176.83 175.37 1ofh h ALA 75 N 1.08 0.68 -0.60 3.77 0.00 0.52 -1.27 119.26 123.44 1ofh h ALA 75 Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ofh h ALA 75 Cb 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ofh h ALA 75 CO -0.06 -0.16 0.19 0.28 0.00 0.00 0.00 179.25 179.51 1ofh h VAL 76 N 0.43 1.23 -0.23 0.00 2.07 -0.79 -1.70 116.25 117.26 1ofh h VAL 76 Ca 0.25 -0.77 -0.20 0.00 0.82 0.00 0.00 66.70 66.80 1ofh h VAL 76 Cb 0.24 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1ofh h VAL 76 CO -0.23 0.30 -0.64 -0.33 0.02 0.00 0.00 177.57 176.69 1ofh h GLU 77 N 0.87 0.83 -0.40 1.57 4.39 -0.72 -2.10 114.58 119.03 1ofh h GLU 77 Ca 0.20 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 1ofh h GLU 77 Cb 0.24 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1ofh h GLU 77 CO -0.01 1.21 0.21 1.25 -1.16 0.00 0.00 179.01 180.51 1ofh h LEU 78 N 0.61 0.51 -1.66 1.33 5.85 -1.08 -2.47 115.31 118.40 1ofh h LEU 78 Ca -0.01 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1ofh h LEU 78 Cb 1.26 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1ofh h LEU 78 CO 0.14 0.47 -0.19 0.00 -0.34 0.00 0.00 178.44 178.52 1ofh h ALA 79 N 1.06 1.51 0.00 1.25 0.00 -1.29 -2.33 119.26 119.47 1ofh h ALA 79 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ofh h ALA 79 Cb 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ofh h ALA 79 CO -0.02 0.24 -0.14 -0.22 0.00 0.00 0.00 179.25 179.11 1ofh h LYS 80 N 0.00 0.00 0.00 0.00 1.63 -0.89 -2.15 116.57 115.17 1ofh h LYS 80 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ofh h LYS 80 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1ofh h LYS 80 CO 0.03 0.14 0.00 -0.25 -3.45 0.00 0.00 179.45 175.92 1ofh n ASP 81 N -3.96 0.00 -0.01 4.20 10.43 -0.87 -1.53 116.55 124.81 1ofh n ASP 81 Ca -0.02 0.32 0.08 0.00 2.57 0.00 0.00 54.79 57.74 1ofh n ASP 81 Cb 0.23 -0.41 -0.11 0.00 1.84 0.00 0.00 41.12 42.67 1ofh n ASP 81 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1ofh n TRP 82 N -1.41 0.00 -1.62 1.24 8.01 -0.81 -4.29 117.44 118.57 1ofh n TRP 82 Ca 0.04 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.91 1ofh n TRP 82 Cb 0.13 -0.26 0.01 0.00 -2.01 0.00 0.00 31.31 29.18 1ofh n TRP 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1ofh n ARG 83 N -1.86 2.54 -2.96 -0.99 1.74 -0.58 -4.84 116.66 109.72 1ofh n ARG 83 Ca -0.01 -2.92 -0.09 0.00 -0.77 0.00 0.00 57.85 54.07 1ofh n ARG 83 Cb 0.37 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.60 1ofh n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ofh n THR 84 N -0.00 0.00 -0.03 0.55 -2.24 -1.26 -5.03 114.28 106.27 1ofh n THR 84 Ca 0.51 -1.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 1ofh n THR 84 Cb 0.42 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1ofh n THR 84 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ofh h ASP 85 N 0.85 0.23 -0.87 3.42 -0.00 -1.95 -3.40 116.42 114.70 1ofh h ASP 85 Ca -0.10 -0.66 -0.19 0.00 -0.00 0.00 0.00 57.03 56.08 1ofh h ASP 85 Cb 0.51 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.77 1ofh h ASP 85 CO 0.15 0.85 0.69 -0.60 -0.00 0.00 0.00 179.24 180.33 1ofh s ARG 86 N -3.60 1.80 -0.36 4.15 6.06 -1.26 -4.77 118.95 120.97 1ofh s ARG 86 Ca -0.15 0.87 -0.28 0.00 -2.50 0.00 0.00 55.73 53.66 1ofh s ARG 86 Cb 0.02 -4.70 -0.31 0.00 0.06 0.00 0.00 34.95 30.01 1ofh s ARG 86 CO 0.74 -3.98 1.71 0.00 -2.50 0.00 0.00 175.30 171.27 1ofh n ALA 87 N 17.57 0.58 -1.59 6.12 0.00 -1.26 -4.85 120.51 137.09 1ofh n ALA 87 Ca 0.43 -2.43 -0.52 0.00 0.00 0.00 0.00 53.44 50.92 1ofh n ALA 87 Cb 0.48 -3.43 -0.06 0.00 0.00 0.00 0.00 19.45 16.44 1ofh n ALA 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ofh n LEU 88 N 12.36 2.59 -4.40 0.00 -0.00 -1.26 -4.77 117.00 121.52 1ofh n LEU 88 Ca 0.43 0.74 -0.48 0.00 -0.00 0.00 0.00 56.01 56.69 1ofh n LEU 88 Cb 0.43 -1.27 -0.03 0.00 -0.00 0.00 0.00 43.42 42.56 1ofh n LEU 88 CO 0.96 -0.46 -0.00 -2.11 -0.00 0.00 0.00 177.39 175.77 1ofh n ARG 89 N 7.04 0.01 -3.21 1.96 1.85 -1.26 -4.91 116.66 118.15 1ofh n ARG 89 Ca 0.32 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.83 1ofh n ARG 89 Cb 0.22 -1.01 -0.06 0.00 -1.05 0.00 0.00 32.46 30.56 1ofh n ARG 89 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1ofh s LYS 90 N -1.00 4.04 -0.12 2.89 -2.85 -1.26 -5.02 119.74 116.42 1ofh s LYS 90 Ca 0.64 0.63 -0.02 0.00 -1.00 0.00 0.00 55.97 56.22 1ofh s LYS 90 Cb -0.93 -2.68 -0.03 0.00 -2.06 0.00 0.00 37.83 32.13 1ofh s LYS 90 CO 0.56 0.31 -0.03 -0.51 0.10 0.00 0.00 175.35 175.77 1ofh s LEU 91 N -2.48 3.31 -1.35 2.77 2.01 0.25 -5.01 118.68 118.18 1ofh s LEU 91 Ca 0.47 -0.05 -0.10 0.00 0.01 0.00 0.00 54.13 54.47 1ofh s LEU 91 Cb -0.13 -1.77 0.12 0.00 0.01 0.00 0.00 46.19 44.41 1ofh s LEU 91 CO 0.19 0.25 2.11 -0.62 1.01 0.00 0.00 176.35 179.30 1ofh n GLU 92 N 2.97 3.64 -3.90 1.70 4.71 -1.26 -3.58 120.64 124.92 1ofh n GLU 92 Ca -0.18 -3.23 -0.08 0.00 -0.01 0.00 0.00 57.16 53.66 1ofh n GLU 92 Cb 0.53 -2.94 -0.03 0.00 -1.01 0.00 0.00 31.44 27.99 1ofh n GLU 92 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ofh s ALA 93 N 0.81 -0.82 0.02 0.62 0.00 -1.26 -1.70 121.76 119.42 1ofh s ALA 93 Ca 0.46 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1ofh s ALA 93 Cb 0.13 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 24.17 1ofh s ALA 93 CO -0.04 -0.95 0.03 -1.64 0.00 0.00 0.00 175.76 173.16 1ofh s MET 94 N -3.95 0.38 0.04 0.00 -1.94 0.21 -1.67 119.30 112.37 1ofh s MET 94 Ca 0.15 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 53.64 1ofh s MET 94 Cb -0.04 0.15 -0.02 0.00 2.01 0.00 0.00 34.83 36.93 1ofh s MET 94 CO 0.07 -0.08 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.31 1ofh s LEU 95 N -1.48 2.17 -0.18 -0.03 1.43 0.87 -1.20 118.68 120.26 1ofh s LEU 95 Ca -0.15 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1ofh s LEU 95 Cb -0.09 -0.86 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1ofh s LEU 95 CO -0.00 0.12 -0.16 -0.63 0.23 0.00 0.00 176.35 175.90 1ofh s ILE 96 N -0.82 2.43 -0.01 -0.59 1.01 0.04 0.17 121.20 123.43 1ofh s ILE 96 Ca 0.06 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1ofh s ILE 96 Cb -0.08 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1ofh s ILE 96 CO 0.02 0.51 -0.15 0.68 0.00 0.00 0.00 174.94 176.00 1ofh s VAL 97 N 1.17 1.21 0.20 2.92 -7.23 0.65 -0.62 120.40 118.71 1ofh s VAL 97 Ca 0.02 -0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 59.39 1ofh s VAL 97 Cb -0.14 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.80 1ofh s VAL 97 CO -0.07 0.34 0.47 0.00 -0.31 0.00 0.00 175.10 175.53 1ofh s ALA 98 N -0.31 -0.65 0.00 1.32 0.00 -0.06 -0.11 121.76 121.95 1ofh s ALA 98 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1ofh s ALA 98 Cb -0.06 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.94 1ofh s ALA 98 CO -0.00 -0.79 0.00 -0.40 0.00 0.00 0.00 175.76 174.57 1ofh n ASP 99 N -0.32 0.00 0.11 0.00 3.85 -0.71 -0.03 116.55 119.44 1ofh n ASP 99 Ca -0.08 -0.85 0.07 0.00 -0.71 0.00 0.00 54.79 53.22 1ofh n ASP 99 Cb 0.62 0.00 0.36 0.00 -1.35 0.00 0.00 41.12 40.75 1ofh n ASP 99 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1ofh n GLU 100 N 0.00 0.09 -0.03 0.11 4.71 -1.26 -3.79 120.64 120.46 1ofh n GLU 100 Ca 0.00 0.57 -0.07 0.00 -0.01 0.00 0.00 57.16 57.65 1ofh n GLU 100 Cb 0.00 -1.84 -0.02 0.00 -1.01 0.00 0.00 31.44 28.56 1ofh n GLU 100 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ofh n LYS 101 N -1.96 0.28 -4.37 3.49 4.76 -1.26 -5.10 118.16 114.00 1ofh n LYS 101 Ca -0.01 0.11 -0.19 0.00 -2.87 0.00 0.00 58.31 55.36 1ofh n LYS 101 Cb 0.08 -0.98 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 1ofh n LYS 101 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1ofh s GLU 102 N -2.43 1.54 -0.03 1.97 0.41 -1.25 -5.15 118.70 113.76 1ofh s GLU 102 Ca -0.16 -1.86 0.01 0.00 -0.41 0.00 0.00 54.97 52.55 1ofh s GLU 102 Cb 0.03 -0.41 0.02 0.00 -1.78 0.00 0.00 34.13 31.99 1ofh s GLU 102 CO 0.23 -0.31 -0.03 -1.12 -0.49 0.00 0.00 175.26 173.54 1ofh s SER 103 N -3.39 0.68 0.08 -0.19 0.01 -1.26 -1.74 113.70 107.88 1ofh s SER 103 Ca 0.36 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.52 1ofh s SER 103 Cb 0.07 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1ofh s SER 103 CO 0.15 -0.06 0.01 -0.76 0.41 0.00 0.00 173.24 172.98 1ofh s LEU 104 N 0.87 2.23 -0.08 2.44 1.02 0.84 -4.19 118.68 121.81 1ofh s LEU 104 Ca -0.10 -1.04 0.03 0.00 0.02 0.00 0.00 54.13 53.04 1ofh s LEU 104 Cb -0.13 0.28 0.01 0.00 0.02 0.00 0.00 46.19 46.36 1ofh s LEU 104 CO -0.01 -0.65 -0.18 -0.51 0.02 0.00 0.00 176.35 175.03 1ofh s ILE 105 N -3.95 1.58 -0.03 -0.59 2.07 -0.89 -0.25 121.20 119.14 1ofh s ILE 105 Ca 0.12 -0.75 0.07 0.00 -1.41 0.00 0.00 60.65 58.68 1ofh s ILE 105 Cb 0.08 -1.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.26 1ofh s ILE 105 CO -0.07 0.45 -0.25 -0.63 -1.91 0.00 0.00 174.94 172.54 1ofh s ILE 106 N 0.45 2.01 0.20 2.00 1.01 0.13 -1.91 121.20 125.07 1ofh s ILE 106 Ca -0.15 -1.07 0.09 0.00 0.00 0.00 0.00 60.65 59.51 1ofh s ILE 106 Cb -0.16 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1ofh s ILE 106 CO 0.06 0.56 -0.05 0.42 0.00 0.00 0.00 174.94 175.93 1ofh s THR 107 N -0.45 3.39 -2.00 2.92 -4.23 -1.11 -0.09 115.64 114.07 1ofh s THR 107 Ca 0.05 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1ofh s THR 107 Cb -0.11 -2.72 0.02 0.00 1.34 0.00 0.00 72.50 71.04 1ofh s THR 107 CO 0.00 -0.17 0.60 0.61 -0.54 0.00 0.00 174.62 175.13 1ofh n GLY 108 N -0.20 -0.56 0.00 3.99 0.00 -0.67 -1.85 105.19 105.91 1ofh n GLY 108 Ca -0.09 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.99 1ofh n GLY 108 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ofh n ILE 109 N -0.52 0.00 0.00 -0.61 -5.35 -1.26 -0.58 119.36 111.04 1ofh n ILE 109 Ca 0.01 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1ofh n ILE 109 Cb 0.00 0.72 0.00 0.00 -1.74 0.00 0.00 39.64 38.62 1ofh n ILE 109 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ofh n GLY 110 N 1.45 1.16 3.02 3.28 0.00 -0.77 -4.90 105.19 108.43 1ofh n GLY 110 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1ofh n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ofh s ASP 111 N -2.00 0.08 -0.07 1.61 3.84 -1.26 -4.79 116.67 114.08 1ofh s ASP 111 Ca 0.00 -0.23 0.03 0.00 -0.00 0.00 0.00 52.55 52.35 1ofh s ASP 111 Cb 0.00 0.15 -0.02 0.00 -1.38 0.00 0.00 42.92 41.67 1ofh s ASP 111 CO 0.00 -0.25 -0.15 0.68 -0.00 0.00 0.00 175.17 175.45 1ofh s VAL 112 N -1.04 3.01 0.00 2.11 -7.23 -1.26 -2.74 120.40 113.25 1ofh s VAL 112 Ca -0.11 -0.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.36 1ofh s VAL 112 Cb -0.07 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.67 1ofh s VAL 112 CO 0.00 0.57 -0.09 0.68 -0.31 0.00 0.00 175.10 175.95 1ofh s VAL 113 N -0.43 0.73 0.23 1.32 -7.23 -0.80 -5.00 120.40 109.21 1ofh s VAL 113 Ca 0.05 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.74 1ofh s VAL 113 Cb -0.12 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1ofh s VAL 113 CO 0.02 0.11 0.29 -1.10 -0.31 0.00 0.00 175.10 174.11 1ofh s GLN 114 N -0.47 3.26 0.00 4.82 -0.21 -1.26 -2.08 119.66 123.71 1ofh s GLN 114 Ca 0.02 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.57 1ofh s GLN 114 Cb -0.05 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.17 1ofh s GLN 114 CO -0.00 0.44 0.00 -2.30 -2.12 0.00 0.00 175.29 171.31 1ofh n PRO 115 N -1.18 0.05 0.00 2.91 -0.02 -1.26 -5.01 135.00 130.49 1ofh n PRO 115 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1ofh n PRO 115 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 1ofh n PRO 115 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ofh n GLU 116 N 0.00 0.00 0.00 -0.52 1.02 -1.26 -5.02 120.64 114.86 1ofh n GLU 116 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ofh n GLU 116 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 1ofh n GLU 116 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1ofh n GLU 117 N -1.69 0.00 0.00 3.49 0.28 -1.26 -4.93 120.64 116.54 1ofh n GLU 117 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.05 1ofh n GLU 117 Cb 0.00 0.00 0.32 0.00 1.43 0.00 0.00 31.44 33.19 1ofh n GLU 117 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ofh n ASP 118 N 0.00 0.00 -3.65 -1.84 5.68 -1.26 -4.90 116.55 110.58 1ofh n ASP 118 Ca 0.00 -1.46 -0.24 0.00 -0.50 0.00 0.00 54.79 52.59 1ofh n ASP 118 Cb 0.00 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1ofh n ASP 118 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ofh n GLN 119 N -0.69 -1.24 -4.19 0.11 1.13 -1.26 -4.52 117.38 106.73 1ofh n GLN 119 Ca 0.08 0.73 -0.20 0.00 -1.94 0.00 0.00 57.00 55.67 1ofh n GLN 119 Cb 0.04 -3.57 -0.16 0.00 0.11 0.00 0.00 30.24 26.66 1ofh n GLN 119 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ofh s ILE 120 N -3.20 0.55 0.12 5.09 1.01 -1.26 -2.35 121.20 121.16 1ofh s ILE 120 Ca 0.21 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.78 1ofh s ILE 120 Cb -0.08 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 1ofh s ILE 120 CO 0.87 0.22 -0.14 -0.76 0.00 0.00 0.00 174.94 175.13 1ofh s LEU 121 N 0.84 2.40 -0.28 2.97 1.43 -0.83 -4.77 118.68 120.44 1ofh s LEU 121 Ca -0.11 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 1ofh s LEU 121 Cb -0.14 -0.56 0.11 0.00 0.03 0.00 0.00 46.19 45.63 1ofh s LEU 121 CO 0.00 -0.14 0.84 0.00 0.23 0.00 0.00 176.35 177.29 1ofh s ALA 122 N -2.08 -2.01 0.16 4.21 0.00 -1.26 -1.01 121.76 119.77 1ofh s ALA 122 Ca 0.08 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.26 1ofh s ALA 122 Cb -0.05 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1ofh s ALA 122 CO 0.03 -0.34 0.04 0.96 0.00 0.00 0.00 175.76 176.45 1ofh s ILE 123 N 1.15 0.35 0.00 0.00 -4.36 -0.29 -4.78 121.20 113.27 1ofh s ILE 123 Ca -0.06 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1ofh s ILE 123 Cb -0.05 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1ofh s ILE 123 CO -0.13 -0.40 0.00 0.61 0.24 0.00 0.00 174.94 175.26 1ofh n GLY 124 N -0.19 1.17 0.34 6.27 0.00 -1.26 -1.83 105.19 109.68 1ofh n GLY 124 Ca -0.05 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.81 1ofh n GLY 124 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ofh h SER 125 N 0.00 1.09 -0.05 1.61 4.64 -1.71 -2.31 113.55 116.81 1ofh h SER 125 Ca 0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1ofh h SER 125 Cb 0.00 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1ofh h SER 125 CO 0.00 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 1ofh n GLY 126 N -0.97 -0.21 0.22 -0.77 0.00 -0.93 -4.59 105.19 97.94 1ofh n GLY 126 Ca 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 1ofh n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ofh h GLY 127 N 4.97 -1.56 1.75 -0.02 0.00 -1.53 -2.12 103.07 104.56 1ofh h GLY 127 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 47.33 48.15 1ofh h GLY 127 CO 0.00 -0.45 0.10 3.43 0.00 0.00 0.00 176.54 179.62 1ofh h ASN 128 N -0.16 0.00 0.11 0.19 2.35 -1.81 0.40 115.58 116.67 1ofh h ASN 128 Ca 0.04 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.58 1ofh h ASN 128 Cb 0.27 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.66 1ofh h ASN 128 CO -0.32 0.00 -0.89 1.88 -1.65 0.00 0.00 177.43 176.45 1ofh h TYR 129 N 0.00 0.68 -0.06 1.19 0.99 -1.71 -2.76 116.97 115.30 1ofh h TYR 129 Ca 0.00 -0.45 -0.14 0.00 2.00 0.00 0.00 58.73 60.14 1ofh h TYR 129 Cb 0.21 -0.05 -0.01 0.00 1.00 0.00 0.00 36.73 37.88 1ofh h TYR 129 CO 0.00 1.32 -0.60 0.00 -0.00 0.00 0.00 178.16 178.88 1ofh h ALA 130 N 0.18 0.88 -0.40 3.88 0.00 -1.06 -3.02 119.26 119.72 1ofh h ALA 130 Ca -0.14 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.25 1ofh h ALA 130 Cb 1.65 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1ofh h ALA 130 CO 0.17 0.73 0.22 1.25 0.00 0.00 0.00 179.25 181.62 1ofh h LEU 131 N 0.14 0.35 0.00 0.00 5.85 -0.99 -0.39 115.31 120.28 1ofh h LEU 131 Ca -0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ofh h LEU 131 Cb 1.10 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1ofh h LEU 131 CO 0.09 0.25 -0.00 0.28 -0.34 0.00 0.00 178.44 178.72 1ofh h SER 132 N 0.45 -0.00 -0.72 1.25 0.02 -1.48 0.10 113.55 113.16 1ofh h SER 132 Ca 0.16 -0.33 0.11 0.00 -0.84 0.00 0.00 61.79 60.89 1ofh h SER 132 Cb 0.03 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1ofh h SER 132 CO -0.09 0.33 0.48 0.00 -1.14 0.00 0.00 176.83 176.41 1ofh h ALA 133 N 0.66 1.93 -0.01 3.77 0.00 -1.40 -0.06 119.26 124.15 1ofh h ALA 133 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ofh h ALA 133 Cb 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ofh h ALA 133 CO 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 179.25 178.90 1ofh h ALA 134 N 1.64 0.04 -0.51 0.00 0.00 -0.83 -0.74 119.26 118.86 1ofh h ALA 134 Ca 0.34 -0.46 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ofh h ALA 134 Cb 0.58 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1ofh h ALA 134 CO -0.12 0.09 0.16 0.00 0.00 0.00 0.00 179.25 179.38 1ofh h ARG 135 N -0.47 0.31 0.09 0.00 3.08 -0.48 0.26 114.38 117.17 1ofh h ARG 135 Ca -0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1ofh h ARG 135 Cb 1.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1ofh h ARG 135 CO 0.05 0.20 -0.16 0.00 -1.07 0.00 0.00 179.97 178.99 1ofh h ALA 136 N 1.36 -0.27 -0.44 0.04 0.00 -1.05 -1.05 119.26 117.85 1ofh h ALA 136 Ca 0.25 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ofh h ALA 136 Cb 0.30 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ofh h ALA 136 CO -0.28 -0.68 0.29 -0.07 0.00 0.00 0.00 179.25 178.51 1ofh h LEU 137 N -0.32 0.48 -0.07 0.00 4.07 -0.24 -2.68 115.31 116.55 1ofh h LEU 137 Ca 0.03 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.76 1ofh h LEU 137 Cb 0.34 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1ofh h LEU 137 CO -0.09 0.34 -1.01 0.58 -1.08 0.00 0.00 178.44 177.18 1ofh h VAL 138 N 0.57 1.61 -0.55 1.22 2.07 -0.02 -2.17 116.25 118.98 1ofh h VAL 138 Ca 0.17 -3.12 0.00 0.00 0.82 0.00 0.00 66.70 64.57 1ofh h VAL 138 Cb -0.02 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1ofh h VAL 138 CO -0.04 0.90 0.00 -0.62 0.02 0.00 0.00 177.57 177.83 1ofh n GLU 139 N -3.48 2.36 -0.17 1.57 1.02 -0.44 -4.26 120.64 117.24 1ofh n GLU 139 Ca -0.03 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 1ofh n GLU 139 Cb 0.91 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.88 1ofh n GLU 139 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ofh n ASN 140 N 1.09 0.00 -3.88 1.62 3.02 -1.03 -5.06 115.26 111.02 1ofh n ASN 140 Ca 0.19 -1.13 -0.13 0.00 -0.03 0.00 0.00 54.58 53.48 1ofh n ASN 140 Cb 0.49 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.56 1ofh n ASN 140 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ofh s THR 141 N 0.00 0.00 -0.28 3.41 -1.32 -0.82 -5.00 115.64 111.64 1ofh s THR 141 Ca 0.00 -1.81 0.04 0.00 -1.21 0.00 0.00 61.69 58.72 1ofh s THR 141 Cb 0.00 -2.46 0.12 0.00 -1.51 0.00 0.00 72.50 68.65 1ofh s THR 141 CO 0.00 0.00 1.09 -0.62 -2.21 0.00 0.00 174.62 172.88 1ofh n GLU 142 N -0.39 2.88 -1.80 7.08 -0.58 -1.26 -4.82 120.64 121.73 1ofh n GLU 142 Ca 0.02 -1.74 -0.40 0.00 -0.42 0.00 0.00 57.16 54.62 1ofh n GLU 142 Cb 0.64 -1.12 0.02 0.00 -0.57 0.00 0.00 31.44 30.40 1ofh n GLU 142 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ofh s LEU 143 N -1.14 4.11 0.94 -4.62 1.43 -1.26 -4.97 118.68 113.17 1ofh s LEU 143 Ca 0.09 2.92 -0.11 0.00 -1.03 0.00 0.00 54.13 56.00 1ofh s LEU 143 Cb 0.06 -3.94 0.14 0.00 0.03 0.00 0.00 46.19 42.48 1ofh s LEU 143 CO 0.05 -1.17 1.04 -0.24 0.23 0.00 0.00 176.35 176.25 1ofh n SER 144 N -0.19 -0.09 0.19 2.29 2.88 -1.26 -4.75 113.62 112.69 1ofh n SER 144 Ca 0.05 0.38 0.03 0.00 -1.33 0.00 0.00 58.87 58.00 1ofh n SER 144 Cb 0.42 -1.43 0.39 0.00 -0.75 0.00 0.00 64.21 62.84 1ofh n SER 144 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ofh h ALA 145 N -1.89 1.45 -0.10 -1.46 0.00 -1.91 -1.16 119.26 114.19 1ofh h ALA 145 Ca -0.44 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.02 1ofh h ALA 145 Cb 1.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ofh h ALA 145 CO 0.40 0.41 -0.60 1.25 0.00 0.00 0.00 179.25 180.71 1ofh h HIS 146 N 0.00 0.42 -0.10 0.00 -0.00 -1.90 -2.62 115.15 110.95 1ofh h HIS 146 Ca -0.00 -0.16 -0.17 0.00 -0.00 0.00 0.00 60.37 60.04 1ofh h HIS 146 Cb 0.58 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1ofh h HIS 146 CO 0.00 0.85 -0.59 0.93 -0.00 0.00 0.00 177.93 179.12 1ofh h GLU 147 N 0.25 0.57 -0.54 5.26 5.08 -1.77 -3.06 114.58 120.36 1ofh h GLU 147 Ca -0.01 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1ofh h GLU 147 Cb 1.12 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1ofh h GLU 147 CO 0.10 1.11 0.35 0.82 -1.00 0.00 0.00 179.01 180.39 1ofh h ILE 148 N 0.19 1.11 0.05 3.13 2.04 -1.22 -1.28 117.51 121.52 1ofh h ILE 148 Ca -0.05 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1ofh h ILE 148 Cb 1.24 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1ofh h ILE 148 CO 0.12 0.13 -0.05 0.58 0.00 0.00 0.00 178.15 178.93 1ofh h VAL 149 N 0.70 0.88 -0.54 1.67 2.07 -1.52 -0.58 116.25 118.93 1ofh h VAL 149 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1ofh h VAL 149 Cb -0.04 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1ofh h VAL 149 CO -0.06 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.72 1ofh h GLU 150 N -0.12 0.76 -0.62 1.57 4.22 -1.42 -1.11 114.58 117.86 1ofh h GLU 150 Ca 0.00 -0.10 -0.07 0.00 0.08 0.00 0.00 59.36 59.27 1ofh h GLU 150 Cb 0.12 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ofh h GLU 150 CO -0.02 0.61 0.11 0.87 -2.18 0.00 0.00 179.01 178.41 1ofh h LYS 151 N 0.72 1.03 -0.24 1.92 1.57 -1.07 -2.27 116.57 118.23 1ofh h LYS 151 Ca 0.19 -0.27 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1ofh h LYS 151 Cb 0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ofh h LYS 151 CO -0.03 0.95 -0.55 0.77 -0.57 0.00 0.00 179.45 180.03 1ofh h SER 152 N 0.94 0.79 -0.25 0.86 0.02 -0.98 -2.51 113.55 112.41 1ofh h SER 152 Ca 0.19 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ofh h SER 152 Cb 0.41 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1ofh h SER 152 CO 0.01 1.18 0.14 -0.07 -1.14 0.00 0.00 176.83 176.94 1ofh h LEU 153 N 0.55 0.31 -0.24 5.07 3.38 -1.12 0.18 115.31 123.44 1ofh h LEU 153 Ca 0.01 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1ofh h LEU 153 Cb 1.12 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 1ofh h LEU 153 CO 0.11 0.30 -0.07 -0.09 0.09 0.00 0.00 178.44 178.78 1ofh h ARG 154 N 0.29 -0.02 0.35 1.13 2.43 -1.37 0.65 114.38 117.85 1ofh h ARG 154 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ofh h ARG 154 Cb 0.06 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1ofh h ARG 154 CO -0.01 -0.01 -0.48 0.82 -1.51 0.00 0.00 179.97 178.77 1ofh h ILE 155 N -0.02 0.06 -0.86 1.20 2.04 -1.10 -1.63 117.51 117.20 1ofh h ILE 155 Ca 0.12 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.19 1ofh h ILE 155 Cb 0.20 0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 36.20 1ofh h ILE 155 CO -0.25 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.16 1ofh h ALA 156 N -0.63 1.25 0.00 1.87 0.00 -0.52 0.81 119.26 122.04 1ofh h ALA 156 Ca -0.03 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ofh h ALA 156 Cb 0.80 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ofh h ALA 156 CO -0.14 -0.42 -0.05 0.78 0.00 0.00 0.00 179.25 179.43 1ofh h GLY 157 N 0.26 0.00 0.61 0.00 0.00 0.06 -0.91 103.07 103.09 1ofh h GLY 157 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1ofh h GLY 157 CO -0.60 0.00 -0.01 1.22 0.00 0.00 0.00 176.54 177.15 1ofh n ASP 158 N -4.25 0.44 -0.02 0.19 10.43 0.27 -4.08 116.55 119.52 1ofh n ASP 158 Ca -0.03 -1.09 -0.04 0.00 2.57 0.00 0.00 54.79 56.20 1ofh n ASP 158 Cb 0.13 -0.01 -0.02 0.00 1.84 0.00 0.00 41.12 43.06 1ofh n ASP 158 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1ofh n ILE 159 N -0.68 0.25 -3.21 0.53 5.41 -0.45 -5.02 119.36 116.19 1ofh n ILE 159 Ca 0.22 -0.08 -0.39 0.00 1.00 0.00 0.00 62.75 63.50 1ofh n ILE 159 Cb 0.19 -1.04 -0.05 0.00 -0.71 0.00 0.00 39.64 38.03 1ofh n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ofh h VAL 161 N 4.59 0.00 -0.66 0.00 -1.51 -1.90 -2.93 116.25 113.84 1ofh h VAL 161 Ca -0.42 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1ofh h VAL 161 Cb 1.19 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1ofh h VAL 161 CO 0.74 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.57 1ofh n PHE 162 N -2.39 1.35 -3.95 5.19 3.72 -1.26 -4.85 117.46 115.26 1ofh n PHE 162 Ca 0.03 -0.59 -0.28 0.00 -0.05 0.00 0.00 57.45 56.55 1ofh n PHE 162 Cb 0.29 -0.19 -0.17 0.00 -0.94 0.00 0.00 39.48 38.48 1ofh n PHE 162 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ofh s THR 163 N -1.66 1.28 0.00 4.37 2.01 -1.11 -0.97 115.64 119.56 1ofh s THR 163 Ca 0.50 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1ofh s THR 163 Cb 0.31 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.55 1ofh s THR 163 CO 0.26 0.38 0.00 -0.46 -0.69 0.00 0.00 174.62 174.11 1ofh n ASN 164 N 4.86 0.11 -0.91 3.53 2.04 -1.26 -4.55 115.26 119.09 1ofh n ASN 164 Ca -0.14 -0.55 0.08 0.00 -0.44 0.00 0.00 54.58 53.53 1ofh n ASN 164 Cb 0.50 0.00 0.20 0.00 -2.53 0.00 0.00 39.78 37.94 1ofh n ASN 164 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1ofh n THR 165 N -0.52 0.79 -2.99 5.53 -2.24 -1.26 -4.66 114.28 108.93 1ofh n THR 165 Ca 0.00 -0.89 -0.44 0.00 -2.27 0.00 0.00 64.05 60.45 1ofh n THR 165 Cb 0.00 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1ofh n THR 165 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ofh s ASN 166 N -1.09 6.95 0.68 3.42 3.84 -1.26 -4.97 114.94 122.52 1ofh s ASN 166 Ca 0.32 -2.76 -0.11 0.00 0.21 0.00 0.00 52.86 50.51 1ofh s ASN 166 Cb 0.17 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.50 1ofh s ASN 166 CO 0.23 -0.79 1.07 -0.36 -2.79 0.00 0.00 177.10 174.46 1ofh s PHE 167 N 1.59 3.35 -0.29 0.43 2.99 -1.26 -1.67 117.98 123.12 1ofh s PHE 167 Ca 0.38 1.18 -0.03 0.00 0.00 0.00 0.00 56.93 58.46 1ofh s PHE 167 Cb -0.04 -2.93 0.11 0.00 0.00 0.00 0.00 43.02 40.16 1ofh s PHE 167 CO -0.04 -1.08 0.19 0.99 -0.00 0.00 0.00 175.22 175.28 1ofh s THR 168 N -3.24 -0.19 -0.20 0.64 2.01 -0.58 -4.96 115.64 109.11 1ofh s THR 168 Ca 0.57 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 1ofh s THR 168 Cb -0.12 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1ofh s THR 168 CO 0.53 -0.63 0.02 -0.63 -0.69 0.00 0.00 174.62 173.22 1ofh s ILE 169 N 2.20 4.14 -0.06 1.82 1.01 -1.26 -2.79 121.20 126.26 1ofh s ILE 169 Ca 0.09 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.54 1ofh s ILE 169 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1ofh s ILE 169 CO -0.36 0.42 -0.19 -1.61 0.00 0.00 0.00 174.94 173.20 1ofh s GLU 170 N 0.99 2.54 0.07 2.79 0.41 -0.65 -4.99 118.70 119.86 1ofh s GLU 170 Ca 0.02 -0.79 0.04 0.00 -0.41 0.00 0.00 54.97 53.83 1ofh s GLU 170 Cb -0.14 -2.29 -0.03 0.00 -1.78 0.00 0.00 34.13 29.89 1ofh s GLU 170 CO 0.02 0.50 -0.12 -1.83 -0.49 0.00 0.00 175.26 173.34 1ofh s GLU 171 N -0.43 0.78 -0.43 1.61 -1.05 -1.26 -0.66 118.70 117.26 1ofh s GLU 171 Ca 0.05 -0.97 -0.10 0.00 -0.15 0.00 0.00 54.97 53.80 1ofh s GLU 171 Cb -0.12 -0.69 0.08 0.00 -0.44 0.00 0.00 34.13 32.96 1ofh s GLU 171 CO 0.02 0.14 0.28 -0.51 0.95 0.00 0.00 175.26 176.14 1ofh s LEU 172 N -1.86 5.22 0.09 1.83 1.43 0.39 -4.98 118.68 120.80 1ofh s LEU 172 Ca -0.02 -1.50 -0.24 0.00 -1.03 0.00 0.00 54.13 51.35 1ofh s LEU 172 Cb -0.09 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.04 1ofh s LEU 172 CO 0.02 -0.55 1.39 -0.65 0.23 0.00 0.00 176.35 176.79 1ofh h PRO 173 N 8.44 -0.36 0.00 1.29 0.11 -1.93 -3.34 132.00 136.21 1ofh h PRO 173 Ca -0.23 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1ofh h PRO 173 Cb 1.09 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ofh h PRO 173 CO 0.77 -0.24 0.00 -1.71 -0.21 0.00 0.00 178.00 176.61