#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 -0.06 -0.04 12.58 2.01 -1.26 -1.29 115.64 127.57 1ofh s THR 2 Ca 0.00 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1ofh s THR 2 Cb 0.00 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.35 1ofh s THR 2 CO 0.00 0.08 0.01 -0.63 -0.69 0.00 0.00 174.62 173.40 1ofh s ILE 3 N 1.18 0.16 0.10 1.82 1.01 -0.68 -2.71 121.20 122.09 1ofh s ILE 3 Ca -0.09 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.80 1ofh s ILE 3 Cb -0.12 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 1ofh s ILE 3 CO -0.05 0.18 -0.15 0.54 0.00 0.00 0.00 174.94 175.46 1ofh s VAL 4 N 1.54 1.31 -0.04 2.92 0.11 -0.84 -0.67 120.40 124.72 1ofh s VAL 4 Ca -0.03 -1.53 -0.02 0.00 -2.93 0.00 0.00 61.98 57.48 1ofh s VAL 4 Cb -0.13 -1.35 0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1ofh s VAL 4 CO -0.03 -0.28 0.10 -0.55 -3.33 0.00 0.00 175.10 171.00 1ofh s SER 5 N -2.08 -0.04 0.02 3.54 0.15 0.83 -1.82 113.70 114.29 1ofh s SER 5 Ca 0.04 0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.92 1ofh s SER 5 Cb -0.08 0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 1ofh s SER 5 CO 0.03 -0.13 -0.13 -0.69 1.20 0.00 0.00 173.24 173.52 1ofh s VAL 6 N 1.03 1.06 -0.25 4.45 1.01 -0.63 -1.41 120.40 125.65 1ofh s VAL 6 Ca -0.08 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1ofh s VAL 6 Cb -0.11 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.41 1ofh s VAL 6 CO -0.04 0.13 -0.03 -0.60 0.00 0.00 0.00 175.10 174.55 1ofh s ARG 7 N -0.77 1.53 -0.04 2.72 3.52 -1.12 -1.28 118.95 123.50 1ofh s ARG 7 Ca 0.03 -1.08 -0.05 0.00 -0.13 0.00 0.00 55.73 54.51 1ofh s ARG 7 Cb -0.07 -2.59 0.01 0.00 -1.56 0.00 0.00 34.95 30.74 1ofh s ARG 7 CO 0.00 -0.66 0.12 0.50 -0.81 0.00 0.00 175.30 174.46 1ofh s ARG 8 N 1.37 0.18 -1.04 5.12 3.52 -0.77 -4.86 118.95 122.47 1ofh s ARG 8 Ca -0.03 0.10 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 1ofh s ARG 8 Cb -0.19 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1ofh s ARG 8 CO -0.08 -0.03 0.73 0.09 -0.81 0.00 0.00 175.30 175.20 1ofh n ASN 9 N 2.82 -5.30 -3.43 -2.12 4.13 -1.26 -2.10 115.26 107.99 1ofh n ASN 9 Ca -0.14 -0.96 -0.25 0.00 1.68 0.00 0.00 54.58 54.92 1ofh n ASN 9 Cb 0.59 -2.93 0.01 0.00 -1.54 0.00 0.00 39.78 35.91 1ofh n ASN 9 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ofh n GLY 10 N -1.76 -0.49 2.94 7.41 0.00 -1.26 -4.96 105.19 107.06 1ofh n GLY 10 Ca -0.13 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.10 0.19 -0.08 1.61 -1.52 -0.89 -4.83 119.66 108.04 1ofh s GLN 11 Ca 0.44 -0.35 -0.00 0.00 -1.95 0.00 0.00 55.36 53.50 1ofh s GLN 11 Cb -0.23 0.07 0.02 0.00 -0.22 0.00 0.00 33.01 32.66 1ofh s GLN 11 CO 0.55 -0.03 -0.05 0.08 -0.25 0.00 0.00 175.29 175.58 1ofh s VAL 12 N -0.86 0.77 0.02 1.09 1.01 -1.24 -1.84 120.40 119.35 1ofh s VAL 12 Ca -0.09 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.78 1ofh s VAL 12 Cb -0.06 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1ofh s VAL 12 CO -0.01 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 174.54 1ofh s VAL 13 N 1.51 1.35 -0.04 2.92 1.01 -0.40 -1.29 120.40 125.47 1ofh s VAL 13 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ofh s VAL 13 Cb -0.13 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1ofh s VAL 13 CO -0.04 0.19 0.06 -0.69 0.00 0.00 0.00 175.10 174.61 1ofh s VAL 14 N -0.68 -0.10 0.18 2.92 1.01 -0.50 -1.60 120.40 121.62 1ofh s VAL 14 Ca 0.05 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.43 1ofh s VAL 14 Cb -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1ofh s VAL 14 CO 0.01 0.16 0.01 -0.83 0.00 0.00 0.00 175.10 174.45 1ofh s GLY 15 N 1.91 1.28 0.24 4.51 0.00 -0.75 -1.09 107.32 113.43 1ofh s GLY 15 Ca 0.02 -1.62 -0.19 0.00 0.00 0.00 0.00 44.72 42.92 1ofh s GLY 15 CO -0.03 -1.53 0.62 -0.32 0.00 0.00 0.00 173.10 171.84 1ofh s GLY 16 N -3.19 -0.02 0.57 0.20 0.00 -1.03 -1.98 107.32 101.88 1ofh s GLY 16 Ca 0.26 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.60 1ofh s GLY 16 CO 0.05 -0.21 0.78 2.09 0.00 0.00 0.00 173.10 175.82 1ofh n ASP 17 N -0.41 0.57 0.00 1.64 5.75 -1.10 -1.49 116.55 121.51 1ofh n ASP 17 Ca -0.06 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1ofh n ASP 17 Cb 0.61 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 -0.58 2.34 3.70 6.12 0.00 -0.45 -4.33 105.19 111.98 1ofh n GLY 18 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.88 4.40 -0.18 1.61 0.74 -1.26 -1.79 119.66 122.30 1ofh s GLN 19 Ca 0.00 1.73 0.01 0.00 0.05 0.00 0.00 55.36 57.15 1ofh s GLN 19 Cb 0.00 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.68 1ofh s GLN 19 CO 0.00 -0.34 -0.18 0.08 -0.55 0.00 0.00 175.29 174.30 1ofh s VAL 20 N 1.58 2.25 -0.07 1.34 1.01 0.83 -4.77 120.40 122.59 1ofh s VAL 20 Ca 0.58 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1ofh s VAL 20 Cb -0.27 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1ofh s VAL 20 CO 0.26 0.53 -0.21 -0.44 0.00 0.00 0.00 175.10 175.24 1ofh s SER 21 N 1.19 2.66 -0.52 3.32 0.01 -1.26 -0.32 113.70 118.78 1ofh s SER 21 Ca 0.02 -0.45 -0.15 0.00 1.31 0.00 0.00 55.95 56.68 1ofh s SER 21 Cb -0.14 -0.93 0.12 0.00 0.21 0.00 0.00 66.02 65.29 1ofh s SER 21 CO -0.09 0.17 0.46 -0.76 0.41 0.00 0.00 173.24 173.43 1ofh s LEU 22 N 0.13 6.02 0.00 2.44 1.02 -0.15 -4.91 118.68 123.23 1ofh s LEU 22 Ca -0.09 -1.74 0.00 0.00 0.02 0.00 0.00 54.13 52.32 1ofh s LEU 22 Cb -0.15 -2.17 0.00 0.00 0.02 0.00 0.00 46.19 43.89 1ofh s LEU 22 CO 0.05 -0.80 0.00 0.61 0.02 0.00 0.00 176.35 176.23 1ofh n GLY 23 N 5.19 2.56 1.23 -3.19 0.00 -1.26 -2.44 105.19 107.28 1ofh n GLY 23 Ca -0.13 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 8.22 4.31 -4.51 1.61 5.03 -1.26 -4.96 115.26 123.70 1ofh n ASN 24 Ca 0.00 -2.64 -0.25 0.00 0.87 0.00 0.00 54.58 52.55 1ofh n ASN 24 Cb 0.00 -0.52 -0.10 0.00 -1.02 0.00 0.00 39.78 38.14 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 -2.18 2.75 -0.20 3.41 -4.23 -1.02 -5.13 115.64 109.04 1ofh s THR 25 Ca 0.44 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1ofh s THR 25 Cb 0.31 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 1ofh s THR 25 CO 0.16 -0.25 0.18 -0.69 -0.54 0.00 0.00 174.62 173.49 1ofh s VAL 26 N -2.05 5.37 -0.22 2.29 1.01 -1.26 -0.98 120.40 124.56 1ofh s VAL 26 Ca 0.26 0.29 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1ofh s VAL 26 Cb -0.07 -3.52 -0.18 0.00 0.00 0.00 0.00 36.38 32.61 1ofh s VAL 26 CO 0.14 0.40 0.10 0.80 0.00 0.00 0.00 175.10 176.55 1ofh n MET 27 N 3.71 0.57 -3.97 2.72 1.56 0.56 -4.90 117.12 117.37 1ofh n MET 27 Ca -0.15 0.52 -0.09 0.00 -0.27 0.00 0.00 57.70 57.71 1ofh n MET 27 Cb 0.52 -1.70 -0.10 0.00 2.15 0.00 0.00 33.22 34.09 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 -2.39 0.45 -0.03 2.12 2.20 -1.14 -5.01 119.74 115.93 1ofh s LYS 28 Ca -0.31 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.63 1ofh s LYS 28 Cb 0.08 0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.63 1ofh s LYS 28 CO 0.57 -0.09 0.94 0.41 -0.36 0.00 0.00 175.35 176.82 1ofh n GLY 29 N 1.14 2.03 1.46 5.54 0.00 -1.25 -0.12 105.19 113.99 1ofh n GLY 29 Ca -0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.57 2.05 -4.77 1.61 0.23 -1.11 -4.27 115.26 108.44 1ofh n ASN 30 Ca 0.04 -3.01 -0.38 0.00 -0.53 0.00 0.00 54.58 50.69 1ofh n ASN 30 Cb 0.43 -0.42 -0.06 0.00 -2.08 0.00 0.00 39.78 37.65 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 -2.40 3.25 -0.44 -2.53 0.00 -0.74 -4.98 121.76 113.91 1ofh s ALA 31 Ca 0.37 0.63 -0.20 0.00 0.00 0.00 0.00 51.96 52.76 1ofh s ALA 31 Cb 0.38 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.30 1ofh s ALA 31 CO -0.08 0.08 0.61 1.03 0.00 0.00 0.00 175.76 177.40 1ofh s ARG 32 N -1.81 3.23 0.00 0.00 0.52 -1.26 -4.12 118.95 115.50 1ofh s ARG 32 Ca 0.48 -0.50 0.25 0.00 -0.52 0.00 0.00 55.73 55.43 1ofh s ARG 32 Cb -0.23 -3.97 0.40 0.00 0.52 0.00 0.00 34.95 31.66 1ofh s ARG 32 CO 0.29 -1.01 1.35 1.63 0.02 0.00 0.00 175.30 177.57 1ofh n LYS 33 N 6.15 1.24 -5.04 3.54 5.02 -1.26 -4.84 118.16 122.96 1ofh n LYS 33 Ca -0.03 -0.91 -0.28 0.00 -2.02 0.00 0.00 58.31 55.07 1ofh n LYS 33 Cb 0.47 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.39 1.71 0.09 -0.18 1.01 -1.26 -2.27 120.40 117.10 1ofh s VAL 34 Ca 0.24 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 1ofh s VAL 34 Cb 0.19 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1ofh s VAL 34 CO 0.50 0.48 0.22 -0.13 0.00 0.00 0.00 175.10 176.17 1ofh s ARG 35 N -0.19 0.87 0.24 2.72 0.52 -0.24 -4.99 118.95 117.88 1ofh s ARG 35 Ca 0.00 -0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 54.27 1ofh s ARG 35 Cb -0.11 0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 1ofh s ARG 35 CO 0.02 -0.28 0.46 1.03 0.02 0.00 0.00 175.30 176.55 1ofh s ARG 36 N -3.83 3.56 0.35 3.54 0.52 -1.26 -1.06 118.95 120.77 1ofh s ARG 36 Ca 0.04 -0.20 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 1ofh s ARG 36 Cb 0.04 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 1ofh s ARG 36 CO -0.11 0.32 0.22 -0.51 0.02 0.00 0.00 175.30 175.24 1ofh s LEU 37 N -3.46 1.79 -0.84 2.53 1.43 0.14 -4.80 118.68 115.47 1ofh s LEU 37 Ca 0.41 -1.71 -0.17 0.00 -1.03 0.00 0.00 54.13 51.63 1ofh s LEU 37 Cb -0.11 0.33 0.02 0.00 0.03 0.00 0.00 46.19 46.47 1ofh s LEU 37 CO 0.30 -1.01 0.51 0.00 0.23 0.00 0.00 176.35 176.38 1ofh n TYR 38 N -0.70 -1.30 -3.51 0.29 -0.00 -1.26 -0.90 117.16 109.79 1ofh n TYR 38 Ca 0.03 0.30 -0.18 0.00 -0.00 0.00 0.00 57.90 58.04 1ofh n TYR 38 Cb 0.63 -2.18 0.07 0.00 -0.00 0.00 0.00 39.34 37.86 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 -1.71 -1.91 -1.25 2.98 3.02 -1.26 -2.57 115.26 112.56 1ofh n ASN 39 Ca -0.16 -0.67 -0.11 0.00 -0.03 0.00 0.00 54.58 53.61 1ofh n ASN 39 Cb 0.49 -4.84 -0.05 0.00 -0.61 0.00 0.00 39.78 34.78 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 -1.27 1.03 0.45 7.41 0.00 -0.07 -4.79 105.19 107.95 1ofh n GLY 40 Ca -0.28 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.85 1ofh n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ofh n LYS 41 N -1.62 1.17 -4.14 1.61 2.85 -0.90 -4.84 118.16 112.29 1ofh n LYS 41 Ca -0.11 -0.91 -0.15 0.00 -1.05 0.00 0.00 58.31 56.09 1ofh n LYS 41 Cb 0.38 -1.48 -0.14 0.00 -0.65 0.00 0.00 35.03 33.14 1ofh n LYS 41 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1ofh s VAL 42 N -2.46 0.46 0.07 0.58 -7.23 -1.14 -4.21 120.40 106.47 1ofh s VAL 42 Ca 0.21 -0.43 0.05 0.00 -1.81 0.00 0.00 61.98 59.99 1ofh s VAL 42 Cb 0.18 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1ofh s VAL 42 CO 0.55 0.00 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.53 1ofh s LEU 43 N -0.47 3.24 -0.12 1.32 1.43 0.14 0.26 118.68 124.49 1ofh s LEU 43 Ca -0.01 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1ofh s LEU 43 Cb -0.04 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.26 1ofh s LEU 43 CO -0.00 0.20 0.28 0.00 0.23 0.00 0.00 176.35 177.06 1ofh s ALA 44 N -1.20 -0.66 0.20 4.21 0.00 -0.22 -0.64 121.76 123.46 1ofh s ALA 44 Ca 0.22 1.07 0.11 0.00 0.00 0.00 0.00 51.96 53.36 1ofh s ALA 44 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1ofh s ALA 44 CO 0.14 -0.20 -0.23 0.20 0.00 0.00 0.00 175.76 175.67 1ofh s GLY 45 N 1.16 1.70 0.00 0.00 0.00 -0.28 -1.08 107.32 108.83 1ofh s GLY 45 Ca -0.08 -1.66 -0.09 0.00 0.00 0.00 0.00 44.72 42.89 1ofh s GLY 45 CO -0.08 -1.69 0.17 -0.11 0.00 0.00 0.00 173.10 171.38 1ofh s PHE 46 N -1.80 0.01 0.13 1.90 -0.71 -0.96 -0.74 117.98 115.80 1ofh s PHE 46 Ca 0.21 -0.08 -0.02 0.00 -1.04 0.00 0.00 56.93 56.01 1ofh s PHE 46 Cb -0.07 -0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 1ofh s PHE 46 CO 0.10 -0.31 0.08 0.00 -1.34 0.00 0.00 175.22 173.75 1ofh s ALA 47 N -1.41 0.76 0.00 1.99 0.00 -0.89 -4.92 121.76 117.29 1ofh s ALA 47 Ca -0.14 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1ofh s ALA 47 Cb -0.07 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1ofh s ALA 47 CO 0.02 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1ofh n GLY 48 N -0.10 0.37 3.71 0.00 0.00 -1.26 -1.90 105.19 106.01 1ofh n GLY 48 Ca -0.06 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1ofh n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ofh s GLY 49 N 0.00 2.87 0.21 -0.02 0.00 -0.70 -4.92 107.32 104.75 1ofh s GLY 49 Ca 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 1ofh s GLY 49 CO 0.00 1.62 1.68 -0.91 0.00 0.00 0.00 173.10 175.49 1ofh h THR 50 N 4.79 0.55 0.35 0.90 1.35 -1.93 1.26 112.91 120.18 1ofh h THR 50 Ca -0.41 -0.05 -0.02 0.00 -0.55 0.00 0.00 66.41 65.38 1ofh h THR 50 Cb 1.22 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1ofh h THR 50 CO 0.75 0.03 -0.17 0.00 -0.25 0.00 0.00 175.52 175.88 1ofh h ALA 51 N 1.51 -0.47 0.00 6.62 0.00 -1.98 -1.48 119.26 123.47 1ofh h ALA 51 Ca 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ofh h ALA 51 Cb 0.48 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ofh h ALA 51 CO -0.47 -0.61 -0.10 -0.44 0.00 0.00 0.00 179.25 177.62 1ofh h ASP 52 N -0.78 0.00 -0.11 0.00 5.19 -1.81 -2.34 116.42 116.56 1ofh h ASP 52 Ca -0.05 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.13 1ofh h ASP 52 Cb 0.52 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1ofh h ASP 52 CO 0.08 0.10 -0.84 0.00 -3.12 0.00 0.00 179.24 175.46 1ofh h ALA 53 N 1.90 0.25 -0.08 3.45 0.00 0.17 -2.29 119.26 122.65 1ofh h ALA 53 Ca -0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 1ofh h ALA 53 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ofh h ALA 53 CO 0.01 0.67 -0.35 0.74 0.00 0.00 0.00 179.25 180.33 1ofh h PHE 54 N 0.49 0.19 0.01 0.00 -1.00 -0.75 -1.00 116.94 114.87 1ofh h PHE 54 Ca -0.07 -0.04 -0.20 0.00 2.81 0.00 0.00 57.97 60.46 1ofh h PHE 54 Cb 1.48 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.99 1ofh h PHE 54 CO 0.09 0.50 -0.90 1.79 -1.61 0.00 0.00 178.31 178.18 1ofh h THR 55 N 0.15 1.49 -0.30 -1.55 1.35 -1.45 -1.20 112.91 111.39 1ofh h THR 55 Ca 0.02 -2.64 -0.05 0.00 -0.55 0.00 0.00 66.41 63.18 1ofh h THR 55 Cb 0.69 2.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 1ofh h THR 55 CO 0.05 0.77 -0.01 0.25 -0.25 0.00 0.00 175.52 176.33 1ofh h LEU 56 N 0.11 0.54 -0.14 3.87 6.46 -1.05 -0.31 115.31 124.78 1ofh h LEU 56 Ca -0.05 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1ofh h LEU 56 Cb 1.53 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 1ofh h LEU 56 CO 0.14 0.73 0.09 0.15 -0.62 0.00 0.00 178.44 178.93 1ofh h PHE 57 N 0.34 0.18 -0.16 1.25 3.04 -1.16 -2.23 116.94 118.19 1ofh h PHE 57 Ca 0.08 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.94 1ofh h PHE 57 Cb 0.46 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1ofh h PHE 57 CO 0.04 0.13 -0.33 0.93 -2.02 0.00 0.00 178.31 177.06 1ofh h GLU 58 N 0.17 0.33 -0.41 1.11 5.08 -1.16 -2.28 114.58 117.43 1ofh h GLU 58 Ca 0.05 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ofh h GLU 58 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ofh h GLU 58 CO -0.01 0.63 0.11 1.25 -1.00 0.00 0.00 179.01 179.99 1ofh h LEU 59 N 0.29 0.60 -0.61 1.33 5.85 -0.88 -2.36 115.31 119.52 1ofh h LEU 59 Ca 0.04 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1ofh h LEU 59 Cb 0.73 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1ofh h LEU 59 CO 0.06 0.66 0.21 0.15 -0.34 0.00 0.00 178.44 179.18 1ofh h PHE 60 N 0.51 0.97 -0.46 1.25 3.57 -1.25 -2.87 116.94 118.66 1ofh h PHE 60 Ca 0.13 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1ofh h PHE 60 Cb 0.28 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1ofh h PHE 60 CO 0.01 0.79 0.21 1.49 -2.23 0.00 0.00 178.31 178.58 1ofh h GLU 61 N 0.87 0.40 -0.92 1.11 4.81 -1.18 -0.27 114.58 119.41 1ofh h GLU 61 Ca 0.20 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.55 1ofh h GLU 61 Cb 0.26 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.48 1ofh h GLU 61 CO -0.01 0.27 0.59 0.00 -0.73 0.00 0.00 179.01 179.13 1ofh h ARG 62 N 0.42 0.72 -0.14 1.92 3.08 -1.22 -0.95 114.38 118.21 1ofh h ARG 62 Ca 0.21 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1ofh h ARG 62 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1ofh h ARG 62 CO -0.17 0.48 -0.05 0.87 -1.07 0.00 0.00 179.97 180.03 1ofh h LYS 63 N 0.74 0.28 -0.91 0.04 6.56 -0.92 -2.67 116.57 119.69 1ofh h LYS 63 Ca 0.46 -0.12 0.14 0.00 -1.06 0.00 0.00 60.65 60.08 1ofh h LYS 63 Cb 0.70 -0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 32.26 1ofh h LYS 63 CO -0.23 0.59 0.52 -0.07 -2.06 0.00 0.00 179.45 178.21 1ofh h LEU 64 N -0.05 0.69 -0.63 2.94 3.38 0.11 -1.42 115.31 120.33 1ofh h LEU 64 Ca 0.03 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1ofh h LEU 64 Cb 0.50 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1ofh h LEU 64 CO 0.02 0.32 0.19 -0.33 0.09 0.00 0.00 178.44 178.73 1ofh h GLU 65 N 0.76 0.98 0.00 1.13 4.39 -1.21 0.94 114.58 121.57 1ofh h GLU 65 Ca 0.48 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1ofh h GLU 65 Cb 0.62 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1ofh h GLU 65 CO -0.33 0.87 0.00 -1.33 -1.16 0.00 0.00 179.01 177.06 1ofh n MET 66 N -4.37 0.24 -2.01 2.33 2.81 -0.67 -3.93 117.12 111.52 1ofh n MET 66 Ca 0.04 0.27 -0.19 0.00 -1.81 0.00 0.00 57.70 56.01 1ofh n MET 66 Cb 0.22 -1.82 0.04 0.00 -0.71 0.00 0.00 33.22 30.94 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 -2.25 2.39 -1.65 2.03 8.25 -0.62 -4.96 115.22 118.41 1ofh n HIS 67 Ca 0.05 -2.15 -0.13 0.00 -0.26 0.00 0.00 57.72 55.23 1ofh n HIS 67 Cb 0.38 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.71 -1.52 -1.53 -0.41 6.02 -1.18 -1.58 117.38 116.48 1ofh n GLN 68 Ca 0.38 0.72 -0.06 0.00 -0.01 0.00 0.00 57.00 58.03 1ofh n GLN 68 Cb 0.94 -5.06 -0.02 0.00 1.02 0.00 0.00 30.24 27.12 1ofh n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ofh n GLY 69 N -0.39 0.58 3.58 1.08 0.00 0.31 -4.97 105.19 105.38 1ofh n GLY 69 Ca -0.13 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.26 2.42 0.08 1.61 3.76 -0.61 -4.90 115.29 115.38 1ofh s HIS 70 Ca 0.00 0.42 -0.19 0.00 -0.15 0.00 0.00 55.06 55.14 1ofh s HIS 70 Cb 0.00 -4.46 -0.06 0.00 1.11 0.00 0.00 32.58 29.17 1ofh s HIS 70 CO 0.00 -1.82 1.32 1.25 -0.85 0.00 0.00 174.74 174.64 1ofh h LEU 71 N 12.59 -1.16 0.15 0.89 7.12 -1.93 0.17 115.31 133.14 1ofh h LEU 71 Ca -0.26 0.16 0.02 0.00 0.13 0.00 0.00 57.88 57.92 1ofh h LEU 71 Cb 1.08 0.49 -0.03 0.00 -0.53 0.00 0.00 40.66 41.66 1ofh h LEU 71 CO 1.19 -0.21 -0.28 0.25 -0.13 0.00 0.00 178.44 179.26 1ofh h LEU 72 N -0.17 -0.78 -0.50 2.25 7.12 -1.98 -0.52 115.31 120.73 1ofh h LEU 72 Ca 0.06 0.09 0.06 0.00 0.13 0.00 0.00 57.88 58.22 1ofh h LEU 72 Cb 0.32 0.29 -0.05 0.00 -0.53 0.00 0.00 40.66 40.69 1ofh h LEU 72 CO -0.41 -0.37 0.19 0.50 -0.13 0.00 0.00 178.44 178.22 1ofh h LYS 73 N -0.51 0.36 -0.91 1.25 3.64 -1.90 -1.61 116.57 116.90 1ofh h LYS 73 Ca 0.02 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ofh h LYS 73 Cb 0.52 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1ofh h LYS 73 CO -0.14 0.24 0.56 0.77 -2.27 0.00 0.00 179.45 178.61 1ofh h SER 74 N 0.37 1.08 0.29 4.20 0.02 -0.42 -1.94 113.55 117.15 1ofh h SER 74 Ca 0.23 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ofh h SER 74 Cb 0.23 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1ofh h SER 74 CO -0.23 0.81 -0.14 0.00 -1.14 0.00 0.00 176.83 176.14 1ofh h ALA 75 N 1.31 -0.39 -0.05 3.77 0.00 -0.17 -2.17 119.26 121.56 1ofh h ALA 75 Ca 0.33 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1ofh h ALA 75 Cb -0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ofh h ALA 75 CO -0.06 -0.70 -0.40 -0.39 0.00 0.00 0.00 179.25 177.70 1ofh h VAL 76 N -0.43 1.30 -0.61 0.00 -1.51 -1.29 -2.26 116.25 111.45 1ofh h VAL 76 Ca -0.04 -1.42 -0.04 0.00 -1.23 0.00 0.00 66.70 63.97 1ofh h VAL 76 Cb 0.33 1.70 -0.03 0.00 -2.13 0.00 0.00 31.29 31.16 1ofh h VAL 76 CO 0.07 0.41 0.23 -0.33 -1.23 0.00 0.00 177.57 176.72 1ofh h GLU 77 N 0.08 0.93 -0.13 5.19 4.39 -1.22 -0.30 114.58 123.52 1ofh h GLU 77 Ca 0.01 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1ofh h GLU 77 Cb 0.74 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1ofh h GLU 77 CO 0.06 0.79 0.02 1.25 -1.16 0.00 0.00 179.01 179.97 1ofh h LEU 78 N 0.86 0.20 -1.38 1.33 5.85 -1.17 -2.98 115.31 118.02 1ofh h LEU 78 Ca 0.20 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1ofh h LEU 78 Cb 0.22 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1ofh h LEU 78 CO -0.01 0.40 0.47 0.00 -0.34 0.00 0.00 178.44 178.96 1ofh h ALA 79 N 0.80 1.70 -0.02 1.25 0.00 -1.18 -0.59 119.26 121.22 1ofh h ALA 79 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ofh h ALA 79 Cb 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ofh h ALA 79 CO 0.00 0.19 0.03 0.87 0.00 0.00 0.00 179.25 180.34 1ofh h LYS 80 N 0.76 0.00 0.00 0.00 1.79 -0.89 -0.81 116.57 117.42 1ofh h LYS 80 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 1ofh h LYS 80 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1ofh h LYS 80 CO -0.10 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.02 1ofh n ASP 81 N -3.80 0.00 0.00 0.86 10.43 -0.23 -2.24 116.55 121.57 1ofh n ASP 81 Ca -0.02 -0.99 0.00 0.00 2.57 0.00 0.00 54.79 56.35 1ofh n ASP 81 Cb 0.12 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.08 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 -0.69 0.00 -3.22 1.24 8.01 -0.31 -3.87 117.44 118.59 1ofh n TRP 82 Ca 0.06 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.86 1ofh n TRP 82 Cb 0.03 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.30 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 -1.34 3.70 0.00 -0.99 1.74 -0.95 -4.54 116.66 114.27 1ofh n ARG 83 Ca 0.00 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.51 1ofh n ARG 83 Cb 0.00 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 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 1.48 0.00 0.00 0.55 -2.24 -1.26 -4.95 114.28 107.86 1ofh n THR 84 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1ofh n THR 84 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1ofh n THR 84 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ofh n ASP 85 N 0.00 2.40 -3.19 3.42 9.92 -1.26 -4.88 116.55 122.96 1ofh n ASP 85 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 1ofh n ASP 85 Cb 0.00 0.34 -0.06 0.00 -0.64 0.00 0.00 41.12 40.76 1ofh n ASP 85 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1ofh n ARG 86 N -1.01 2.06 -1.34 -1.24 -4.01 -1.26 -5.11 116.66 104.76 1ofh n ARG 86 Ca 0.00 -4.18 -0.44 0.00 -1.04 0.00 0.00 57.85 52.20 1ofh n ARG 86 Cb 0.14 -1.93 -0.01 0.00 -3.04 0.00 0.00 32.46 27.62 1ofh n ARG 86 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ofh n ALA 87 N 0.55 -2.87 -1.00 2.89 0.00 -1.26 -4.97 120.51 113.85 1ofh n ALA 87 Ca 0.27 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1ofh n ALA 87 Cb 0.48 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1ofh n ALA 87 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ofh n LEU 88 N 2.18 0.00 -4.80 0.00 4.77 -1.25 -5.02 117.00 112.89 1ofh n LEU 88 Ca 0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.78 1ofh n LEU 88 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1ofh n LEU 88 CO 0.55 -0.28 0.72 -0.60 -1.33 0.00 0.00 177.39 176.45 1ofh s ARG 89 N -1.15 3.51 0.10 3.23 3.52 -1.26 -4.99 118.95 121.90 1ofh s ARG 89 Ca 0.00 1.31 -0.31 0.00 -0.13 0.00 0.00 55.73 56.61 1ofh s ARG 89 Cb 0.00 -2.05 -0.13 0.00 -1.56 0.00 0.00 34.95 31.21 1ofh s ARG 89 CO 0.00 -0.67 1.61 1.57 -0.81 0.00 0.00 175.30 177.00 1ofh h LYS 90 N 0.96 -0.68 -4.35 5.12 -0.00 -1.95 -3.47 116.57 112.19 1ofh h LYS 90 Ca -0.48 0.05 0.01 0.00 -0.00 0.00 0.00 60.65 60.22 1ofh h LYS 90 Cb 1.22 0.15 -0.07 0.00 -0.00 0.00 0.00 32.23 33.54 1ofh h LYS 90 CO 0.58 -0.45 -0.99 1.28 -0.00 0.00 0.00 179.45 179.86 1ofh n LEU 91 N -5.45 -5.07 -3.67 7.07 4.32 -1.26 -3.56 117.00 109.37 1ofh n LEU 91 Ca -0.09 1.43 -0.41 0.00 -0.02 0.00 0.00 56.01 56.91 1ofh n LEU 91 Cb 0.35 -2.55 -0.00 0.00 -1.62 0.00 0.00 43.42 39.60 1ofh n LEU 91 CO 0.28 -2.61 2.59 -0.62 -1.22 0.00 0.00 177.39 175.81 1ofh n GLU 92 N 0.99 3.36 -3.86 3.23 -0.58 -1.26 -4.05 120.64 118.47 1ofh n GLU 92 Ca -0.22 -2.86 -0.08 0.00 -0.42 0.00 0.00 57.16 53.58 1ofh n GLU 92 Cb 0.35 -3.05 -0.01 0.00 -0.57 0.00 0.00 31.44 28.16 1ofh n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ofh s ALA 93 N 1.87 -0.95 0.04 0.62 0.00 -1.26 -1.73 121.76 120.35 1ofh s ALA 93 Ca 0.49 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1ofh s ALA 93 Cb 0.14 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1ofh s ALA 93 CO -0.06 -1.00 0.12 -1.64 0.00 0.00 0.00 175.76 173.18 1ofh s MET 94 N -3.47 0.63 0.05 0.00 -1.94 -0.80 -1.21 119.30 112.57 1ofh s MET 94 Ca 0.14 -0.76 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 1ofh s MET 94 Cb -0.05 0.25 -0.02 0.00 2.01 0.00 0.00 34.83 37.02 1ofh s MET 94 CO 0.09 -0.17 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.27 1ofh s LEU 95 N -2.21 2.21 -0.29 -0.03 1.43 0.35 -2.08 118.68 118.05 1ofh s LEU 95 Ca -0.04 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1ofh s LEU 95 Cb -0.00 -0.63 0.06 0.00 0.03 0.00 0.00 46.19 45.65 1ofh s LEU 95 CO -0.05 0.02 -0.04 -0.63 0.23 0.00 0.00 176.35 175.88 1ofh s ILE 96 N -0.97 2.60 0.00 -0.59 1.01 0.08 -0.24 121.20 123.09 1ofh s ILE 96 Ca 0.01 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.10 1ofh s ILE 96 Cb -0.09 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1ofh s ILE 96 CO 0.02 -0.13 -0.05 0.68 0.00 0.00 0.00 174.94 175.45 1ofh s VAL 97 N 1.16 3.75 -0.25 2.92 -7.23 0.20 -1.12 120.40 119.83 1ofh s VAL 97 Ca -0.05 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.17 1ofh s VAL 97 Cb -0.20 -2.64 0.07 0.00 0.56 0.00 0.00 36.38 34.17 1ofh s VAL 97 CO -0.03 0.39 0.65 0.00 -0.31 0.00 0.00 175.10 175.80 1ofh s ALA 98 N -1.01 -1.65 0.02 1.32 0.00 0.19 0.94 121.76 121.56 1ofh s ALA 98 Ca 0.17 1.96 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1ofh s ALA 98 Cb -0.11 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.86 1ofh s ALA 98 CO 0.08 -0.32 0.00 -0.40 0.00 0.00 0.00 175.76 175.12 1ofh n ASP 99 N 3.13 1.90 0.00 0.00 3.85 -0.25 0.26 116.55 125.43 1ofh n ASP 99 Ca -0.16 -1.07 0.01 0.00 -0.71 0.00 0.00 54.79 52.86 1ofh n ASP 99 Cb 0.56 0.01 0.05 0.00 -1.35 0.00 0.00 41.12 40.39 1ofh n ASP 99 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1ofh n GLU 100 N -0.04 0.40 0.00 0.11 -0.00 -1.26 -3.57 120.64 116.28 1ofh n GLU 100 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 1ofh n GLU 100 Cb 0.02 -1.06 0.00 0.00 -0.00 0.00 0.00 31.44 30.40 1ofh n GLU 100 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1ofh n LYS 101 N -0.56 0.24 -4.20 3.44 2.85 -1.26 -5.07 118.16 113.60 1ofh n LYS 101 Ca 0.01 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.13 1ofh n LYS 101 Cb 0.01 -0.54 -0.11 0.00 -0.65 0.00 0.00 35.03 33.74 1ofh n LYS 101 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ofh s GLU 102 N -1.09 0.91 -0.05 -1.58 0.41 -1.23 -5.14 118.70 110.92 1ofh s GLU 102 Ca 0.00 -1.25 0.02 0.00 -0.41 0.00 0.00 54.97 53.33 1ofh s GLU 102 Cb 0.00 -0.54 0.01 0.00 -1.78 0.00 0.00 34.13 31.82 1ofh s GLU 102 CO 0.00 0.08 -0.09 -1.12 -0.49 0.00 0.00 175.26 173.63 1ofh s SER 103 N -2.67 1.39 0.07 -0.19 0.01 -1.26 -1.09 113.70 109.95 1ofh s SER 103 Ca 0.09 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 1ofh s SER 103 Cb -0.01 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.58 1ofh s SER 103 CO -0.00 0.01 0.07 -0.76 0.41 0.00 0.00 173.24 172.97 1ofh s LEU 104 N 0.67 2.00 -0.10 2.44 1.02 0.27 -4.29 118.68 120.69 1ofh s LEU 104 Ca -0.12 -0.86 0.02 0.00 0.02 0.00 0.00 54.13 53.19 1ofh s LEU 104 Cb -0.14 0.57 0.01 0.00 0.02 0.00 0.00 46.19 46.65 1ofh s LEU 104 CO 0.02 -0.66 -0.14 -0.51 0.02 0.00 0.00 176.35 175.07 1ofh s ILE 105 N -3.90 1.42 -0.09 -0.59 2.07 -0.92 0.62 121.20 119.80 1ofh s ILE 105 Ca 0.07 -0.60 0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1ofh s ILE 105 Cb 0.07 -1.30 -0.01 0.00 0.13 0.00 0.00 42.46 41.35 1ofh s ILE 105 CO -0.10 0.42 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.50 1ofh s ILE 106 N 0.98 2.18 0.17 2.00 1.01 0.67 -1.02 121.20 127.19 1ofh s ILE 106 Ca -0.07 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1ofh s ILE 106 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1ofh s ILE 106 CO -0.01 0.56 0.29 0.42 0.00 0.00 0.00 174.94 176.20 1ofh s THR 107 N 0.15 5.25 -0.58 2.92 -4.23 -0.62 -0.50 115.64 118.03 1ofh s THR 107 Ca -0.13 -0.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.75 1ofh s THR 107 Cb -0.16 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.09 1ofh s THR 107 CO 0.07 -0.15 1.47 0.61 -0.54 0.00 0.00 174.62 176.07 1ofh n GLY 108 N -0.74 -0.87 0.81 3.99 0.00 -0.35 -2.60 105.19 105.43 1ofh n GLY 108 Ca -0.08 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.95 0.59 0.00 -0.61 -5.35 -1.23 -4.30 119.36 106.50 1ofh n ILE 109 Ca 0.00 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 1ofh n ILE 109 Cb 0.08 0.84 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 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 0.94 1.83 3.01 3.28 0.00 -1.07 -4.86 105.19 108.32 1ofh n GLY 110 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 0.77 -0.07 1.61 3.84 -1.26 -4.76 116.67 114.81 1ofh s ASP 111 Ca 0.00 -0.30 0.03 0.00 -0.00 0.00 0.00 52.55 52.28 1ofh s ASP 111 Cb 0.00 -0.03 -0.02 0.00 -1.38 0.00 0.00 42.92 41.49 1ofh s ASP 111 CO 0.00 -0.05 -0.15 0.68 -0.00 0.00 0.00 175.17 175.65 1ofh s VAL 112 N -0.68 2.96 -0.04 2.11 -7.23 -1.26 -1.59 120.40 114.68 1ofh s VAL 112 Ca -0.03 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1ofh s VAL 112 Cb -0.06 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1ofh s VAL 112 CO 0.00 0.57 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.58 1ofh s VAL 113 N -0.43 0.84 0.31 1.32 1.01 -0.19 -4.99 120.40 118.28 1ofh s VAL 113 Ca 0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1ofh s VAL 113 Cb -0.12 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 1ofh s VAL 113 CO 0.02 0.27 0.62 -1.10 0.00 0.00 0.00 175.10 174.91 1ofh s GLN 114 N 0.40 3.72 0.00 2.72 -0.21 -1.26 -2.17 119.66 122.86 1ofh s GLN 114 Ca -0.07 0.21 0.00 0.00 0.02 0.00 0.00 55.36 55.52 1ofh s GLN 114 Cb -0.11 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.33 1ofh s GLN 114 CO 0.01 0.16 0.00 -2.30 -2.12 0.00 0.00 175.29 171.04 1ofh n PRO 115 N -0.86 0.34 -3.65 2.91 -0.02 -1.26 -5.00 135.00 127.45 1ofh n PRO 115 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.25 1ofh n PRO 115 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.00 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 -0.49 0.88 -0.39 -0.52 1.02 -1.26 -4.91 120.64 114.96 1ofh n GLU 116 Ca 0.00 -2.89 0.35 0.00 -0.02 0.00 0.00 57.16 54.60 1ofh n GLU 116 Cb 0.00 0.46 0.62 0.00 -0.02 0.00 0.00 31.44 32.50 1ofh n GLU 116 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ofh h GLU 117 N 0.00 0.06 0.00 3.49 4.39 -1.99 0.68 114.58 121.20 1ofh h GLU 117 Ca -0.30 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1ofh h GLU 117 Cb 1.04 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1ofh h GLU 117 CO 0.49 0.04 0.00 -0.40 -1.16 0.00 0.00 179.01 177.97 1ofh n ASP 118 N -4.96 0.55 -3.66 1.42 5.68 -1.26 -4.92 116.55 109.40 1ofh n ASP 118 Ca 0.38 0.63 -0.23 0.00 -0.50 0.00 0.00 54.79 55.06 1ofh n ASP 118 Cb 1.37 -0.75 0.04 0.00 -1.14 0.00 0.00 41.12 40.64 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 -2.10 -3.61 -4.25 0.11 6.02 0.24 -4.70 117.38 109.09 1ofh n GLN 119 Ca 0.03 0.59 -0.27 0.00 -0.01 0.00 0.00 57.00 57.34 1ofh n GLN 119 Cb 0.24 -4.95 -0.17 0.00 1.02 0.00 0.00 30.24 26.38 1ofh n GLN 119 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ofh s ILE 120 N -3.62 1.28 0.08 5.09 1.01 -1.26 -2.81 121.20 120.97 1ofh s ILE 120 Ca 0.16 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1ofh s ILE 120 Cb -0.05 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1ofh s ILE 120 CO 0.82 0.40 -0.25 -0.76 0.00 0.00 0.00 174.94 175.16 1ofh s LEU 121 N 1.22 2.23 -0.19 2.97 1.43 -0.50 -4.67 118.68 121.17 1ofh s LEU 121 Ca -0.03 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.25 1ofh s LEU 121 Cb -0.14 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 44.98 1ofh s LEU 121 CO -0.04 0.19 0.51 0.00 0.23 0.00 0.00 176.35 177.24 1ofh s ALA 122 N -0.93 -1.26 0.16 4.21 0.00 -1.26 -0.12 121.76 122.55 1ofh s ALA 122 Ca 0.11 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.52 1ofh s ALA 122 Cb -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1ofh s ALA 122 CO 0.04 -0.24 0.08 0.96 0.00 0.00 0.00 175.76 176.59 1ofh s ILE 123 N 0.33 0.11 0.00 0.00 -4.36 0.16 -4.86 121.20 112.57 1ofh s ILE 123 Ca -0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1ofh s ILE 123 Cb -0.04 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1ofh s ILE 123 CO -0.00 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.51 1ofh n GLY 124 N -0.18 0.71 0.37 6.27 0.00 -1.26 -1.69 105.19 109.41 1ofh n GLY 124 Ca -0.03 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 44.05 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 1.00 -0.04 1.61 4.64 -1.61 -1.21 113.55 117.94 1ofh h SER 125 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ofh h SER 125 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1ofh h SER 125 CO 0.00 0.67 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1ofh n GLY 126 N -1.39 0.11 0.29 -0.77 0.00 -0.56 -4.55 105.19 98.32 1ofh n GLY 126 Ca 0.13 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 4.87 1.12 2.00 -0.02 0.00 -1.27 -1.53 103.07 108.24 1ofh h GLY 127 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ofh h GLY 127 CO 0.00 -0.29 0.00 3.43 0.00 0.00 0.00 176.54 179.68 1ofh h ASN 128 N 0.21 0.00 0.06 0.19 2.35 -1.80 -1.70 115.58 114.89 1ofh h ASN 128 Ca 0.47 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.08 1ofh h ASN 128 Cb 0.88 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.27 1ofh h ASN 128 CO -0.61 0.00 -0.60 1.88 -1.65 0.00 0.00 177.43 176.45 1ofh h TYR 129 N 0.00 0.49 -0.13 1.19 0.99 -1.61 -2.57 116.97 115.32 1ofh h TYR 129 Ca 0.00 -0.31 -0.08 0.00 2.00 0.00 0.00 58.73 60.34 1ofh h TYR 129 Cb 0.56 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.24 1ofh h TYR 129 CO 0.00 1.18 -0.28 0.00 -0.00 0.00 0.00 178.16 179.06 1ofh h ALA 130 N 0.18 1.28 -0.60 3.88 0.00 -1.43 -2.55 119.26 120.02 1ofh h ALA 130 Ca -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1ofh h ALA 130 Cb 1.39 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1ofh h ALA 130 CO 0.12 0.49 0.26 1.25 0.00 0.00 0.00 179.25 181.37 1ofh h LEU 131 N 0.22 0.81 -0.22 0.00 5.85 -1.31 0.11 115.31 120.77 1ofh h LEU 131 Ca 0.03 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1ofh h LEU 131 Cb 0.62 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1ofh h LEU 131 CO 0.04 0.74 0.11 0.28 -0.34 0.00 0.00 178.44 179.28 1ofh h SER 132 N 0.83 0.29 -0.02 1.25 0.02 -1.08 0.85 113.55 115.70 1ofh h SER 132 Ca 0.20 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1ofh h SER 132 Cb 0.16 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ofh h SER 132 CO -0.02 0.32 0.01 0.00 -1.14 0.00 0.00 176.83 176.00 1ofh h ALA 133 N 0.98 0.02 -0.02 3.77 0.00 -1.28 -1.72 119.26 121.01 1ofh h ALA 133 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ofh h ALA 133 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ofh h ALA 133 CO -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 179.25 178.83 1ofh h ALA 134 N 0.87 0.02 0.00 0.00 0.00 -0.65 0.16 119.26 119.66 1ofh h ALA 134 Ca 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ofh h ALA 134 Cb 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ofh h ALA 134 CO -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 178.74 1ofh h ARG 135 N 0.00 0.00 0.07 0.00 3.08 -0.81 -0.06 114.38 116.67 1ofh h ARG 135 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ofh h ARG 135 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1ofh h ARG 135 CO -0.02 0.01 -0.03 0.00 -1.07 0.00 0.00 179.97 178.86 1ofh h ALA 136 N 1.99 -0.09 -0.72 0.04 0.00 -0.27 -3.03 119.26 117.17 1ofh h ALA 136 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1ofh h ALA 136 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ofh h ALA 136 CO 0.00 -0.21 0.33 -0.07 0.00 0.00 0.00 179.25 179.30 1ofh h LEU 137 N -0.78 0.94 -1.22 0.00 -0.00 -0.13 -2.57 115.31 111.56 1ofh h LEU 137 Ca -0.01 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 1ofh h LEU 137 Cb 0.61 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 1ofh h LEU 137 CO 0.02 0.81 0.00 0.58 -0.00 0.00 0.00 178.44 179.85 1ofh h VAL 138 N 1.03 1.20 0.00 1.22 2.07 -1.12 -2.56 116.25 118.09 1ofh h VAL 138 Ca 0.25 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ofh h VAL 138 Cb 0.13 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ofh h VAL 138 CO -0.03 0.27 -0.47 -0.62 0.02 0.00 0.00 177.57 176.74 1ofh n GLU 139 N -4.28 0.24 -0.36 1.57 1.02 -1.03 -4.42 120.64 113.38 1ofh n GLU 139 Ca 0.02 0.10 0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1ofh n GLU 139 Cb 0.24 -1.68 0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.04 0.58 -3.63 1.62 3.02 -1.00 -5.09 115.26 108.71 1ofh n ASN 140 Ca 0.04 -2.19 -0.12 0.00 -0.03 0.00 0.00 54.58 52.29 1ofh n ASN 140 Cb 0.42 -0.24 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 1ofh n ASN 140 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ofh s THR 141 N -0.68 0.00 -0.22 3.41 -4.23 -0.97 -5.03 115.64 107.92 1ofh s THR 141 Ca 0.07 -1.52 0.16 0.00 -1.18 0.00 0.00 61.69 59.22 1ofh s THR 141 Cb 0.06 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.84 1ofh s THR 141 CO 0.01 0.00 1.29 -0.62 -0.54 0.00 0.00 174.62 174.75 1ofh n GLU 142 N -0.46 2.39 -1.33 3.99 -0.58 -1.26 -4.81 120.64 118.58 1ofh n GLU 142 Ca -0.01 -2.59 -0.35 0.00 -0.42 0.00 0.00 57.16 53.79 1ofh n GLU 142 Cb 0.62 -1.62 0.09 0.00 -0.57 0.00 0.00 31.44 29.96 1ofh n GLU 142 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ofh n LEU 143 N -0.71 3.60 -4.85 -4.62 4.77 -1.26 -4.99 117.00 108.94 1ofh n LEU 143 Ca 0.17 0.66 -0.32 0.00 -0.03 0.00 0.00 56.01 56.49 1ofh n LEU 143 Cb 0.72 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.36 1ofh n LEU 143 CO 0.09 -2.00 0.62 -0.94 -1.33 0.00 0.00 177.39 173.83 1ofh s SER 144 N -1.69 6.62 0.26 -1.43 1.04 -1.26 -4.86 113.70 112.39 1ofh s SER 144 Ca 0.73 1.48 -0.02 0.00 0.48 0.00 0.00 55.95 58.62 1ofh s SER 144 Cb -0.34 -2.47 0.54 0.00 0.10 0.00 0.00 66.02 63.85 1ofh s SER 144 CO 0.50 -0.53 1.71 0.00 0.98 0.00 0.00 173.24 175.91 1ofh h ALA 145 N 1.07 1.15 -0.06 5.32 0.00 -1.91 0.32 119.26 125.16 1ofh h ALA 145 Ca -0.47 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1ofh h ALA 145 Cb 1.18 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1ofh h ALA 145 CO 0.62 -0.26 -0.07 1.25 0.00 0.00 0.00 179.25 180.79 1ofh h HIS 146 N 0.41 0.08 0.05 0.00 -0.00 -1.93 -0.78 115.15 112.99 1ofh h HIS 146 Ca 0.46 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.82 1ofh h HIS 146 Cb 0.76 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1ofh h HIS 146 CO -0.18 0.16 -0.03 0.93 -0.00 0.00 0.00 177.93 178.81 1ofh h GLU 147 N 0.08 -0.07 -0.54 5.26 5.08 -0.78 -2.81 114.58 120.80 1ofh h GLU 147 Ca 0.02 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1ofh h GLU 147 Cb 0.18 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1ofh h GLU 147 CO 0.01 0.52 0.27 0.82 -1.00 0.00 0.00 179.01 179.64 1ofh h ILE 148 N -0.77 0.95 0.25 3.13 2.04 -1.02 0.46 117.51 122.55 1ofh h ILE 148 Ca -0.01 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ofh h ILE 148 Cb 0.63 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1ofh h ILE 148 CO 0.01 0.10 -0.18 0.58 0.00 0.00 0.00 178.15 178.66 1ofh h VAL 149 N 0.53 0.62 0.08 1.67 2.07 -1.24 0.16 116.25 120.14 1ofh h VAL 149 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 1ofh h VAL 149 Cb 0.15 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1ofh h VAL 149 CO -0.17 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 177.11 1ofh h GLU 150 N -0.42 -0.40 -0.26 1.57 4.22 -1.20 -0.70 114.58 117.39 1ofh h GLU 150 Ca -0.02 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.51 1ofh h GLU 150 Cb 0.37 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1ofh h GLU 150 CO 0.00 -0.26 -0.35 0.87 -2.18 0.00 0.00 179.01 177.09 1ofh h LYS 151 N -0.41 -0.34 -0.06 1.92 6.56 -0.70 -2.19 116.57 121.36 1ofh h LYS 151 Ca 0.04 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.67 1ofh h LYS 151 Cb 0.45 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1ofh h LYS 151 CO -0.16 -0.23 -0.07 0.77 -2.06 0.00 0.00 179.45 177.70 1ofh h SER 152 N -0.35 -0.23 -0.61 0.86 0.02 -0.46 -1.64 113.55 111.14 1ofh h SER 152 Ca 0.13 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.24 1ofh h SER 152 Cb 0.56 0.11 -0.09 0.00 0.14 0.00 0.00 62.40 63.12 1ofh h SER 152 CO -0.45 -0.11 0.12 -0.07 -1.14 0.00 0.00 176.83 175.18 1ofh h LEU 153 N -0.10 -0.03 -0.49 5.07 3.38 -0.84 0.23 115.31 122.53 1ofh h LEU 153 Ca 0.05 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ofh h LEU 153 Cb 0.17 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ofh h LEU 153 CO -0.12 -0.01 0.31 -0.09 0.09 0.00 0.00 178.44 178.62 1ofh h ARG 154 N 0.24 0.66 -0.36 1.13 2.43 -1.01 0.75 114.38 118.21 1ofh h ARG 154 Ca 0.32 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1ofh h ARG 154 Cb 0.50 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1ofh h ARG 154 CO -0.43 0.46 0.06 0.82 -1.51 0.00 0.00 179.97 179.37 1ofh h ILE 155 N 0.66 1.18 -0.25 1.20 2.04 -0.25 -2.39 117.51 119.72 1ofh h ILE 155 Ca 0.18 -0.68 -0.19 0.00 1.00 0.00 0.00 64.86 65.17 1ofh h ILE 155 Cb -0.04 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ofh h ILE 155 CO -0.04 0.24 -0.58 0.00 0.00 0.00 0.00 178.15 177.78 1ofh h ALA 156 N 1.53 0.50 0.00 1.87 0.00 0.19 -3.07 119.26 120.29 1ofh h ALA 156 Ca 0.12 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1ofh h ALA 156 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ofh h ALA 156 CO 0.00 0.69 -0.31 0.78 0.00 0.00 0.00 179.25 180.41 1ofh h GLY 157 N 0.77 0.00 1.92 0.00 0.00 -0.61 -0.02 103.07 105.13 1ofh h GLY 157 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1ofh h GLY 157 CO 0.12 0.00 -0.42 -0.55 0.00 0.00 0.00 176.54 175.69 1ofh h ASP 158 N 0.00 0.09 0.18 0.19 3.45 -1.34 -3.27 116.42 115.72 1ofh h ASP 158 Ca -0.00 -0.04 -0.35 0.00 0.43 0.00 0.00 57.03 57.07 1ofh h ASP 158 Cb 0.69 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.39 1ofh h ASP 158 CO 0.04 0.51 -2.09 -0.38 -1.57 0.00 0.00 179.24 175.75 1ofh n ILE 159 N -4.02 1.60 -3.26 0.35 5.41 -0.99 -4.91 119.36 113.54 1ofh n ILE 159 Ca -0.02 -0.71 -0.39 0.00 1.00 0.00 0.00 62.75 62.63 1ofh n ILE 159 Cb 0.47 -1.25 -0.07 0.00 -0.71 0.00 0.00 39.64 38.08 1ofh n ILE 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ofh n VAL 161 N 4.58 0.64 -0.28 0.00 0.24 -1.26 -2.53 118.33 119.72 1ofh n VAL 161 Ca -0.05 0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.49 1ofh n VAL 161 Cb 0.50 -0.83 0.25 0.00 -1.47 0.00 0.00 33.84 32.29 1ofh n VAL 161 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1ofh n PHE 162 N -1.56 0.74 -4.67 6.34 3.72 -1.26 -4.91 117.46 115.86 1ofh n PHE 162 Ca 0.05 -0.50 -0.25 0.00 -0.05 0.00 0.00 57.45 56.70 1ofh n PHE 162 Cb 0.24 -0.01 -0.16 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.00 1.23 0.00 4.37 2.01 -1.05 -1.22 115.64 119.98 1ofh s THR 163 Ca 0.37 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1ofh s THR 163 Cb 0.19 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1ofh s THR 163 CO 0.25 0.37 0.00 -0.46 -0.69 0.00 0.00 174.62 174.09 1ofh n ASN 164 N 3.50 0.76 -0.87 3.53 2.04 -1.26 -4.62 115.26 118.34 1ofh n ASN 164 Ca -0.20 -0.46 0.08 0.00 -0.44 0.00 0.00 54.58 53.55 1ofh n ASN 164 Cb 0.53 0.00 0.19 0.00 -2.53 0.00 0.00 39.78 37.97 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 -0.29 0.82 -3.00 5.53 -2.24 -1.26 -4.59 114.28 109.25 1ofh n THR 165 Ca 0.00 -0.91 -0.44 0.00 -2.27 0.00 0.00 64.05 60.43 1ofh n THR 165 Cb 0.00 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.06 6.41 0.54 3.42 3.84 -1.26 -5.00 114.94 121.82 1ofh s ASN 166 Ca 0.31 -1.68 -0.06 0.00 0.21 0.00 0.00 52.86 51.63 1ofh s ASN 166 Cb 0.17 -2.36 -0.02 0.00 -0.55 0.00 0.00 41.25 38.49 1ofh s ASN 166 CO 0.22 -1.12 0.87 -0.36 -2.79 0.00 0.00 177.10 173.91 1ofh s PHE 167 N 2.78 3.47 -0.29 0.43 2.99 -1.26 -1.35 117.98 124.75 1ofh s PHE 167 Ca 0.23 0.83 -0.02 0.00 0.00 0.00 0.00 56.93 57.97 1ofh s PHE 167 Cb -0.14 -2.52 0.12 0.00 0.00 0.00 0.00 43.02 40.48 1ofh s PHE 167 CO -0.00 -0.54 0.20 0.99 -0.00 0.00 0.00 175.22 175.87 1ofh s THR 168 N -2.90 -0.18 -0.10 0.64 2.01 -0.55 -4.96 115.64 109.60 1ofh s THR 168 Ca 0.51 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1ofh s THR 168 Cb -0.10 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1ofh s THR 168 CO 0.46 -0.65 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.04 1ofh s ILE 169 N 2.13 3.55 0.12 1.82 1.01 -1.26 -2.46 121.20 126.11 1ofh s ILE 169 Ca 0.10 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.32 1ofh s ILE 169 Cb -0.16 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1ofh s ILE 169 CO -0.33 0.56 -0.20 -1.61 0.00 0.00 0.00 174.94 173.36 1ofh s GLU 170 N -0.32 1.17 0.02 2.79 0.41 -0.25 -4.99 118.70 117.53 1ofh s GLU 170 Ca 0.04 -1.24 -0.04 0.00 -0.41 0.00 0.00 54.97 53.32 1ofh s GLU 170 Cb -0.13 -1.35 -0.01 0.00 -1.78 0.00 0.00 34.13 30.86 1ofh s GLU 170 CO 0.02 0.30 0.06 -1.83 -0.49 0.00 0.00 175.26 173.32 1ofh s GLU 171 N -2.22 0.48 -0.46 1.61 -1.05 -1.26 -1.42 118.70 114.39 1ofh s GLU 171 Ca 0.09 -0.66 -0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1ofh s GLU 171 Cb -0.08 0.19 0.12 0.00 -0.44 0.00 0.00 34.13 33.91 1ofh s GLU 171 CO 0.05 -0.11 0.24 -0.51 0.95 0.00 0.00 175.26 175.89 1ofh s LEU 172 N -1.80 5.10 0.05 1.83 1.43 -0.41 -4.98 118.68 119.90 1ofh s LEU 172 Ca -0.10 -2.33 -0.33 0.00 -1.03 0.00 0.00 54.13 50.34 1ofh s LEU 172 Cb -0.05 -1.79 -0.18 0.00 0.03 0.00 0.00 46.19 44.20 1ofh s LEU 172 CO -0.02 -0.45 1.50 1.55 0.23 0.00 0.00 176.35 179.15 1ofh h PRO 173 N 7.61 -1.13 0.00 1.29 0.13 -1.89 -3.30 132.00 134.71 1ofh h PRO 173 Ca -0.09 0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1ofh h PRO 173 Cb 1.01 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ofh h PRO 173 CO 0.68 -0.75 0.00 0.27 -0.23 0.00 0.00 178.00 177.96