#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n63 s ALA 4 N 0.00 3.92 -0.22 7.82 0.00 1.00 -4.86 121.76 129.41 1n63 s ALA 4 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.12 1n63 s ALA 4 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1n63 s ALA 4 CO 0.00 0.72 0.31 -1.58 0.00 0.00 0.00 175.76 175.21 1n63 s HIS 5 N -1.38 3.34 0.06 0.00 2.46 -1.26 -1.17 115.29 117.35 1n63 s HIS 5 Ca 0.30 0.45 0.07 0.00 0.47 0.00 0.00 55.06 56.35 1n63 s HIS 5 Cb -0.13 -2.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.86 1n63 s HIS 5 CO 0.20 0.00 -0.19 0.96 -2.47 0.00 0.00 174.74 173.24 1n63 s ILE 6 N 1.28 1.54 -0.04 0.89 -4.36 0.39 -5.01 121.20 115.88 1n63 s ILE 6 Ca 0.14 -1.26 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 1n63 s ILE 6 Cb -0.14 -1.37 0.02 0.00 1.25 0.00 0.00 42.46 42.21 1n63 s ILE 6 CO 0.07 0.07 -0.07 -1.61 0.24 0.00 0.00 174.94 173.64 1n63 s GLU 7 N -1.40 0.98 0.16 0.37 2.02 -1.26 -1.07 118.70 118.50 1n63 s GLU 7 Ca 0.05 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 1n63 s GLU 7 Cb -0.09 -0.92 0.02 0.00 0.10 0.00 0.00 34.13 33.24 1n63 s GLU 7 CO 0.02 -0.01 0.29 1.47 0.02 0.00 0.00 175.26 177.05 1n63 n LEU 8 N 3.79 0.00 -4.09 1.80 -0.00 -0.04 -0.20 117.00 118.26 1n63 n LEU 8 Ca -0.23 -1.14 -0.27 0.00 -0.00 0.00 0.00 56.01 54.37 1n63 n LEU 8 Cb 0.52 1.44 -0.17 0.00 -0.00 0.00 0.00 43.42 45.21 1n63 n LEU 8 CO 0.24 -0.34 -0.50 -0.89 -0.00 0.00 0.00 177.39 175.91 1n63 s THR 9 N -2.61 1.45 -0.13 1.47 2.01 -0.25 -0.98 115.64 116.60 1n63 s THR 9 Ca 0.09 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 1n63 s THR 9 Cb -0.02 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1n63 s THR 9 CO 0.06 0.43 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.69 1n63 s ILE 10 N 0.60 1.26 -1.45 1.82 1.01 -0.39 -0.89 121.20 123.15 1n63 s ILE 10 Ca -0.15 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 1n63 s ILE 10 Cb -0.16 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.12 1n63 s ILE 10 CO 0.05 0.41 0.94 0.59 0.00 0.00 0.00 174.94 176.93 1n63 n ASN 11 N 4.84 -5.63 0.00 3.58 3.02 0.34 -1.71 115.26 119.70 1n63 n ASN 11 Ca -0.15 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1n63 n ASN 11 Cb 0.50 -4.49 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1n63 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n63 n GLY 12 N -1.74 1.77 3.68 7.41 0.00 -1.26 -4.97 105.19 110.08 1n63 n GLY 12 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1n63 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n63 s HIS 13 N -3.36 3.17 0.40 1.61 3.76 -0.69 -5.08 115.29 115.10 1n63 s HIS 13 Ca 0.00 0.18 -0.27 0.00 -0.15 0.00 0.00 55.06 54.82 1n63 s HIS 13 Cb 0.00 -1.81 -0.09 0.00 1.11 0.00 0.00 32.58 31.79 1n63 s HIS 13 CO 0.00 0.44 1.39 -2.14 -0.85 0.00 0.00 174.74 173.58 1n63 s PRO 14 N -0.79 3.97 -0.03 8.40 0.02 -1.26 -1.26 135.00 144.04 1n63 s PRO 14 Ca 0.12 2.35 0.02 0.00 0.02 0.00 0.00 61.00 63.52 1n63 s PRO 14 Cb -0.11 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.59 1n63 s PRO 14 CO 0.02 -0.56 -0.08 0.08 -0.33 0.00 0.00 177.00 176.13 1n63 s VAL 15 N -1.19 0.78 -0.04 3.83 1.01 -0.15 -4.87 120.40 119.78 1n63 s VAL 15 Ca 0.56 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1n63 s VAL 15 Cb -0.42 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1n63 s VAL 15 CO 0.55 0.25 -0.08 -0.70 0.00 0.00 0.00 175.10 175.13 1n63 s GLU 16 N 0.41 0.99 0.14 2.72 2.12 -1.26 -0.86 118.70 122.96 1n63 s GLU 16 Ca -0.07 -0.25 -0.16 0.00 0.36 0.00 0.00 54.97 54.86 1n63 s GLU 16 Cb -0.11 -0.92 0.03 0.00 0.26 0.00 0.00 34.13 33.39 1n63 s GLU 16 CO 0.01 0.04 0.41 0.00 -0.54 0.00 0.00 175.26 175.18 1n63 s ALA 17 N 0.47 -0.84 -0.16 6.30 0.00 -0.23 -5.01 121.76 122.29 1n63 s ALA 17 Ca -0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 1n63 s ALA 17 Cb -0.11 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1n63 s ALA 17 CO 0.01 -0.67 -0.04 -0.51 0.00 0.00 0.00 175.76 174.54 1n63 s LEU 18 N -2.83 3.20 0.08 0.00 1.43 -1.26 -0.46 118.68 118.82 1n63 s LEU 18 Ca 0.05 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1n63 s LEU 18 Cb 0.01 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1n63 s LEU 18 CO -0.09 0.16 -0.11 0.68 0.23 0.00 0.00 176.35 177.23 1n63 s VAL 19 N 0.40 0.88 0.41 -1.59 -7.23 -0.31 -4.93 120.40 108.02 1n63 s VAL 19 Ca -0.04 -1.41 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 1n63 s VAL 19 Cb -0.14 -1.09 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1n63 s VAL 19 CO 0.03 -0.43 1.02 -1.61 -0.31 0.00 0.00 175.10 173.81 1n63 s GLU 20 N -2.21 4.15 0.31 4.82 0.41 -1.26 -0.00 118.70 124.92 1n63 s GLU 20 Ca -0.01 1.41 0.03 0.00 -0.41 0.00 0.00 54.97 56.00 1n63 s GLU 20 Cb -0.07 -2.44 0.61 0.00 -1.78 0.00 0.00 34.13 30.45 1n63 s GLU 20 CO 0.01 -0.13 1.87 -1.35 -0.49 0.00 0.00 175.26 175.16 1n63 h PRO 21 N 2.33 0.91 0.00 0.39 0.11 -1.96 -2.07 132.00 131.70 1n63 h PRO 21 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1n63 h PRO 21 Cb 1.21 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1n63 h PRO 21 CO 0.62 0.60 0.00 2.89 -0.21 0.00 0.00 178.00 181.90 1n63 n ARG 22 N -4.56 0.37 -1.85 1.05 1.85 -1.26 -4.59 116.66 107.67 1n63 n ARG 22 Ca 0.17 0.03 -0.42 0.00 -1.00 0.00 0.00 57.85 56.62 1n63 n ARG 22 Cb 0.33 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 1n63 n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n63 s THR 23 N -2.59 3.31 0.58 8.89 2.01 -0.78 -4.94 115.64 122.11 1n63 s THR 23 Ca 0.25 0.38 -0.21 0.00 0.31 0.00 0.00 61.69 62.43 1n63 s THR 23 Cb 0.18 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1n63 s THR 23 CO 0.42 -0.03 1.35 0.18 -0.69 0.00 0.00 174.62 175.85 1n63 n LEU 24 N 7.31 5.76 -0.33 4.42 4.77 -1.26 -1.09 117.00 136.58 1n63 n LEU 24 Ca 0.18 0.94 -0.02 0.00 -0.03 0.00 0.00 56.01 57.09 1n63 n LEU 24 Cb 0.42 -1.58 0.14 0.00 -2.33 0.00 0.00 43.42 40.07 1n63 n LEU 24 CO 0.65 -0.66 1.27 0.25 -1.33 0.00 0.00 177.39 177.57 1n63 h LEU 25 N 1.19 1.08 -0.69 2.23 5.85 -0.69 -0.72 115.31 123.57 1n63 h LEU 25 Ca -0.51 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.23 1n63 h LEU 25 Cb 1.31 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1n63 h LEU 25 CO 0.56 0.79 0.39 -0.29 -0.34 0.00 0.00 178.44 179.55 1n63 h ILE 26 N 1.27 0.98 -0.18 4.05 6.09 -1.36 0.05 117.51 128.41 1n63 h ILE 26 Ca 0.34 -0.25 -0.16 0.00 -1.37 0.00 0.00 64.86 63.42 1n63 h ILE 26 Cb -0.13 0.20 -0.01 0.00 0.47 0.00 0.00 36.82 37.35 1n63 h ILE 26 CO -0.07 0.13 -0.56 0.45 -3.07 0.00 0.00 178.15 175.03 1n63 h HIS 27 N 0.72 0.70 -0.36 2.19 3.86 -1.48 -1.37 115.15 119.41 1n63 h HIS 27 Ca 0.30 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1n63 h HIS 27 Cb 0.18 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1n63 h HIS 27 CO -0.07 0.99 0.22 0.35 0.86 0.00 0.00 177.93 180.27 1n63 h PHE 28 N 0.42 0.47 -0.05 2.45 3.57 -0.71 0.26 116.94 123.36 1n63 h PHE 28 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1n63 h PHE 28 Cb 1.11 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1n63 h PHE 28 CO 0.05 0.34 0.03 0.82 -2.23 0.00 0.00 178.31 177.31 1n63 h ILE 29 N 0.47 1.08 0.09 1.41 2.04 -0.93 -0.92 117.51 120.74 1n63 h ILE 29 Ca 0.13 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1n63 h ILE 29 Cb -0.00 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1n63 h ILE 29 CO -0.02 0.06 -0.04 0.03 0.00 0.00 0.00 178.15 178.18 1n63 h ARG 30 N -0.01 -0.11 0.16 2.37 3.08 -1.13 -0.92 114.38 117.82 1n63 h ARG 30 Ca 0.02 0.01 -0.31 0.00 0.07 0.00 0.00 59.98 59.76 1n63 h ARG 30 Cb 0.08 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.16 1n63 h ARG 30 CO -0.00 0.43 -1.56 0.93 -1.07 0.00 0.00 179.97 178.69 1n63 h GLU 31 N -0.81 0.33 0.08 0.04 4.39 -0.58 -3.11 114.58 114.91 1n63 h GLU 31 Ca -0.01 -0.57 -0.33 0.00 0.34 0.00 0.00 59.36 58.79 1n63 h GLU 31 Cb 0.59 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1n63 h GLU 31 CO 0.02 1.27 -1.82 1.04 -1.16 0.00 0.00 179.01 178.37 1n63 n GLN 32 N -3.76 0.69 0.02 2.33 6.02 -0.88 -4.55 117.38 117.26 1n63 n GLN 32 Ca -0.24 0.35 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 1n63 n GLN 32 Cb 0.99 -1.71 0.32 0.00 1.02 0.00 0.00 30.24 30.87 1n63 n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1n63 n GLN 33 N -3.79 0.09 -2.30 -1.09 1.13 -0.40 -4.95 117.38 106.07 1n63 n GLN 33 Ca -0.33 0.04 -0.21 0.00 -1.94 0.00 0.00 57.00 54.55 1n63 n GLN 33 Cb 0.93 -1.57 -0.02 0.00 0.11 0.00 0.00 30.24 29.69 1n63 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n63 n ASN 34 N -1.70 -5.88 -4.41 1.08 5.03 -0.99 -4.92 115.26 103.47 1n63 n ASN 34 Ca 0.05 0.05 -0.45 0.00 0.87 0.00 0.00 54.58 55.11 1n63 n ASN 34 Cb 0.37 -4.93 -0.01 0.00 -1.02 0.00 0.00 39.78 34.19 1n63 n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n63 s LEU 35 N -5.88 5.62 -0.03 3.41 1.43 -0.39 -4.88 118.68 117.97 1n63 s LEU 35 Ca 0.00 -2.91 0.11 0.00 -1.03 0.00 0.00 54.13 50.30 1n63 s LEU 35 Cb 0.00 -2.32 0.37 0.00 0.03 0.00 0.00 46.19 44.27 1n63 s LEU 35 CO 0.00 -0.67 1.27 0.35 0.23 0.00 0.00 176.35 177.53 1n63 n THR 36 N 4.21 0.73 -0.06 5.49 -2.24 -1.26 -3.94 114.28 117.20 1n63 n THR 36 Ca 0.28 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1n63 n THR 36 Cb 0.44 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 1n63 n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n63 h GLY 37 N 4.99 0.36 -4.07 3.38 0.00 -1.96 -3.43 103.07 102.34 1n63 h GLY 37 Ca 0.00 -0.24 -0.54 0.00 0.00 0.00 0.00 47.33 46.56 1n63 h GLY 37 CO 0.05 0.22 0.82 0.00 0.00 0.00 0.00 176.54 177.63 1n63 s ALA 38 N -5.21 3.64 0.25 3.60 0.00 -1.26 -4.69 121.76 118.09 1n63 s ALA 38 Ca -0.14 1.57 0.08 0.00 0.00 0.00 0.00 51.96 53.47 1n63 s ALA 38 Cb 0.07 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1n63 s ALA 38 CO 0.72 -1.02 -0.13 -1.01 0.00 0.00 0.00 175.76 174.32 1n63 s HIS 39 N -0.70 1.95 -0.26 0.00 3.76 -0.91 -4.95 115.29 114.19 1n63 s HIS 39 Ca 0.57 -0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 54.87 1n63 s HIS 39 Cb -0.47 -0.98 -0.00 0.00 1.11 0.00 0.00 32.58 32.25 1n63 s HIS 39 CO 0.57 0.43 0.02 0.42 -0.85 0.00 0.00 174.74 175.33 1n63 s ILE 40 N -2.86 3.70 -0.49 0.60 1.01 -1.26 -1.71 121.20 120.19 1n63 s ILE 40 Ca 0.27 -0.58 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1n63 s ILE 40 Cb -0.00 -2.81 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 1n63 s ILE 40 CO 0.11 0.25 0.41 0.61 0.00 0.00 0.00 174.94 176.31 1n63 n GLY 41 N 4.83 0.12 3.76 6.18 0.00 -1.26 -5.05 105.19 113.77 1n63 n GLY 41 Ca -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 1n63 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 n ASP 43 N -1.07 1.60 -0.05 0.00 5.68 -1.26 -4.74 116.55 116.70 1n63 n ASP 43 Ca -0.05 -1.99 0.01 0.00 -0.50 0.00 0.00 54.79 52.25 1n63 n ASP 43 Cb 0.60 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.51 1n63 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1n63 n THR 44 N -0.53 0.54 -1.53 2.12 -2.24 -1.26 -5.02 114.28 106.36 1n63 n THR 44 Ca 0.03 -0.57 -0.07 0.00 -2.27 0.00 0.00 64.05 61.17 1n63 n THR 44 Cb 0.38 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 1n63 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n63 n SER 45 N -0.31 -3.44 -0.05 3.42 7.64 -1.26 -4.95 113.62 114.67 1n63 n SER 45 Ca 0.01 0.11 -0.15 0.00 1.01 0.00 0.00 58.87 59.86 1n63 n SER 45 Cb 0.44 -1.98 -0.14 0.00 -1.01 0.00 0.00 64.21 61.52 1n63 n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n63 n HIS 46 N -3.21 0.69 0.09 1.43 8.25 -1.26 -4.68 115.22 116.52 1n63 n HIS 46 Ca -0.08 0.19 -0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1n63 n HIS 46 Cb 0.35 -1.11 -0.05 0.00 1.12 0.00 0.00 29.99 30.30 1n63 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n63 n GLY 48 N 1.21 0.35 0.24 0.00 0.00 -1.12 -0.62 105.19 105.25 1n63 n GLY 48 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1n63 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 h ALA 49 N 0.00 1.00 -0.60 4.61 0.00 -1.88 -2.05 119.26 120.35 1n63 h ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n63 h ALA 49 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n63 h ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1n63 s THR 51 N -1.40 3.03 0.25 0.00 2.01 -0.77 -2.61 115.64 116.15 1n63 s THR 51 Ca 0.42 0.73 0.06 0.00 0.31 0.00 0.00 61.69 63.21 1n63 s THR 51 Cb 0.24 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1n63 s THR 51 CO 0.26 0.05 -0.06 0.68 -0.69 0.00 0.00 174.62 174.86 1n63 s VAL 52 N 1.18 1.45 -0.24 3.82 -7.23 -0.38 -4.52 120.40 114.48 1n63 s VAL 52 Ca 0.67 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.60 1n63 s VAL 52 Cb -0.40 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1n63 s VAL 52 CO 0.31 -0.37 0.32 -0.62 -0.31 0.00 0.00 175.10 174.42 1n63 s ASP 53 N -3.37 6.26 -0.14 4.85 2.15 -0.68 -1.43 116.67 124.30 1n63 s ASP 53 Ca 0.28 0.29 -0.03 0.00 0.43 0.00 0.00 52.55 53.51 1n63 s ASP 53 Cb 0.04 -2.18 0.05 0.00 -0.30 0.00 0.00 42.92 40.52 1n63 s ASP 53 CO 0.10 -0.08 0.05 -0.22 -0.17 0.00 0.00 175.17 174.85 1n63 s LEU 54 N 1.59 0.62 -1.47 -1.34 0.20 0.42 -0.48 118.68 118.22 1n63 s LEU 54 Ca 0.14 -0.50 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 1n63 s LEU 54 Cb -0.15 -0.37 0.01 0.00 -0.43 0.00 0.00 46.19 45.25 1n63 s LEU 54 CO 0.08 -0.30 0.30 0.47 -0.29 0.00 0.00 176.35 176.62 1n63 n ASP 55 N 5.19 -0.06 -0.15 3.68 8.00 -0.19 -1.01 116.55 132.01 1n63 n ASP 55 Ca -0.07 -1.10 -0.02 0.00 0.71 0.00 0.00 54.79 54.31 1n63 n ASP 55 Cb 0.49 -2.57 -0.01 0.00 -0.02 0.00 0.00 41.12 39.01 1n63 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n63 n GLY 56 N -2.14 0.55 3.30 0.44 0.00 -1.26 -5.03 105.19 101.05 1n63 n GLY 56 Ca -0.29 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.05 1n63 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n63 s MET 57 N -1.36 1.18 -0.26 1.61 -1.94 -0.18 -5.08 119.30 113.27 1n63 s MET 57 Ca 0.00 -1.24 -0.21 0.00 -1.71 0.00 0.00 55.69 52.53 1n63 s MET 57 Cb 0.00 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.43 1n63 s MET 57 CO 0.00 0.31 0.68 -1.12 -0.01 0.00 0.00 175.02 174.88 1n63 s SER 58 N -2.14 6.62 -0.04 3.03 0.01 -1.26 -0.44 113.70 119.49 1n63 s SER 58 Ca 0.09 0.73 0.04 0.00 1.31 0.00 0.00 55.95 58.12 1n63 s SER 58 Cb -0.09 -2.36 -0.00 0.00 0.21 0.00 0.00 66.02 63.78 1n63 s SER 58 CO 0.05 -0.43 -0.16 -0.69 0.41 0.00 0.00 173.24 172.42 1n63 s VAL 59 N 2.62 1.32 -0.71 3.43 1.01 -0.51 -4.98 120.40 122.57 1n63 s VAL 59 Ca 0.28 -0.65 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 1n63 s VAL 59 Cb -0.15 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1n63 s VAL 59 CO 0.09 0.38 1.39 -0.54 0.00 0.00 0.00 175.10 176.42 1n63 s LYS 60 N 0.08 3.10 0.00 2.72 1.02 -1.26 -1.25 119.74 124.15 1n63 s LYS 60 Ca -0.04 -0.07 0.13 0.00 0.02 0.00 0.00 55.97 56.01 1n63 s LYS 60 Cb -0.11 -4.21 0.65 0.00 -0.52 0.00 0.00 37.83 33.64 1n63 s LYS 60 CO 0.02 -2.24 1.34 -1.13 -0.92 0.00 0.00 175.35 172.42 1n63 n SER 61 N 9.98 0.00 -0.21 2.83 3.41 -1.07 -1.20 113.62 127.36 1n63 n SER 61 Ca 0.06 0.13 0.14 0.00 -0.26 0.00 0.00 58.87 58.94 1n63 n SER 61 Cb 0.50 -0.30 0.70 0.00 -0.26 0.00 0.00 64.21 64.84 1n63 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n63 n THR 63 N -0.47 1.71 -3.68 0.00 -1.04 -0.34 -4.92 114.28 105.54 1n63 n THR 63 Ca 0.20 -3.03 -0.14 0.00 -2.04 0.00 0.00 64.05 59.04 1n63 n THR 63 Cb 0.20 0.01 -0.08 0.00 -1.82 0.00 0.00 70.33 68.64 1n63 n THR 63 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n63 s MET 64 N -2.80 0.72 0.12 -2.82 0.00 -1.25 -4.99 119.30 108.28 1n63 s MET 64 Ca 0.39 0.39 -0.11 0.00 0.00 0.00 0.00 55.69 56.36 1n63 s MET 64 Cb 0.38 0.34 -0.06 0.00 0.00 0.00 0.00 34.83 35.48 1n63 s MET 64 CO -0.05 -0.16 0.46 -0.06 0.00 0.00 0.00 175.02 175.22 1n63 s PHE 65 N -0.45 3.57 0.41 4.11 0.08 -1.26 -0.53 117.98 123.92 1n63 s PHE 65 Ca -0.06 0.88 0.14 0.00 0.12 0.00 0.00 56.93 58.01 1n63 s PHE 65 Cb -0.03 -2.23 1.00 0.00 -0.57 0.00 0.00 43.02 41.19 1n63 s PHE 65 CO 0.04 0.46 1.91 0.00 -0.10 0.00 0.00 175.22 177.52 1n63 h ALA 66 N 3.50 2.06 -0.04 5.36 0.00 -1.33 0.38 119.26 129.19 1n63 h ALA 66 Ca -0.49 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1n63 h ALA 66 Cb 1.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1n63 h ALA 66 CO 0.67 -0.27 0.03 -0.39 0.00 0.00 0.00 179.25 179.29 1n63 h VAL 67 N 0.47 0.85 0.00 0.00 -1.51 -1.81 -0.29 116.25 113.96 1n63 h VAL 67 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.86 1n63 h VAL 67 Cb 0.83 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1n63 h VAL 67 CO -0.14 0.00 0.00 1.56 -1.23 0.00 0.00 177.57 177.76 1n63 h GLN 68 N 0.00 0.00 -0.46 5.19 4.20 -1.29 -2.64 115.11 120.11 1n63 h GLN 68 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1n63 h GLN 68 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1n63 h GLN 68 CO -0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1n63 n ALA 69 N -2.04 2.43 -1.64 3.87 0.00 -0.12 -4.92 120.51 118.08 1n63 n ALA 69 Ca 0.00 -0.92 -0.47 0.00 0.00 0.00 0.00 53.44 52.05 1n63 n ALA 69 Cb 0.26 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 1n63 n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n63 n ASN 70 N 1.12 2.48 0.00 0.00 5.15 -1.00 -1.11 115.26 121.90 1n63 n ASN 70 Ca 0.19 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.29 1n63 n ASN 70 Cb 0.49 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 1n63 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n63 n GLY 71 N 2.59 0.72 3.91 8.20 0.00 0.73 -4.99 105.19 116.34 1n63 n GLY 71 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1n63 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n63 s ALA 72 N -3.15 3.27 -0.19 4.61 0.00 -0.27 -4.83 121.76 121.21 1n63 s ALA 72 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 1n63 s ALA 72 Cb 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 1n63 s ALA 72 CO 0.00 -0.78 -0.04 0.45 0.00 0.00 0.00 175.76 175.39 1n63 s SER 73 N -4.28 4.57 -0.03 0.00 0.15 -1.26 -1.09 113.70 111.75 1n63 s SER 73 Ca 0.54 -0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1n63 s SER 73 Cb -0.11 -1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1n63 s SER 73 CO 0.46 0.08 -0.25 -0.63 1.20 0.00 0.00 173.24 174.10 1n63 s ILE 74 N 0.91 1.98 -0.12 6.45 1.01 -0.07 -1.02 121.20 130.34 1n63 s ILE 74 Ca -0.00 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1n63 s ILE 74 Cb -0.15 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1n63 s ILE 74 CO 0.01 0.56 -0.20 -0.89 0.00 0.00 0.00 174.94 174.42 1n63 s THR 75 N -0.43 2.44 0.50 2.92 2.01 0.37 -0.50 115.64 122.95 1n63 s THR 75 Ca 0.05 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1n63 s THR 75 Cb -0.11 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.43 1n63 s THR 75 CO 0.01 0.54 0.33 0.42 -0.69 0.00 0.00 174.62 175.23 1n63 s THR 76 N 0.41 1.86 0.47 -0.82 -4.23 -1.26 -1.68 115.64 110.40 1n63 s THR 76 Ca -0.15 -1.54 0.13 0.00 -1.18 0.00 0.00 61.69 58.95 1n63 s THR 76 Cb -0.17 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.52 1n63 s THR 76 CO 0.07 0.00 2.09 -0.29 -0.54 0.00 0.00 174.62 175.95 1n63 h ILE 77 N 0.95 1.05 0.00 2.99 6.09 -1.91 0.67 117.51 127.35 1n63 h ILE 77 Ca -0.39 -0.17 -0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1n63 h ILE 77 Cb 1.29 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.48 1n63 h ILE 77 CO 0.61 0.06 -0.01 -0.33 -3.07 0.00 0.00 178.15 175.41 1n63 h GLU 78 N 0.18 0.00 -0.22 2.19 3.07 -1.98 -2.06 114.58 115.75 1n63 h GLU 78 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1n63 h GLU 78 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1n63 h GLU 78 CO -0.01 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1n63 n GLY 79 N -1.35 0.16 0.11 -3.84 0.00 0.23 -4.42 105.19 96.07 1n63 n GLY 79 Ca -0.03 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1n63 n GLY 79 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n63 h MET 80 N 1.61 0.18 -7.16 1.61 2.86 -1.45 -3.47 114.93 109.11 1n63 h MET 80 Ca 0.00 -0.30 -0.50 0.00 -2.06 0.00 0.00 59.70 56.84 1n63 h MET 80 Cb 0.36 0.11 0.07 0.00 0.06 0.00 0.00 31.60 32.21 1n63 h MET 80 CO 0.00 0.96 0.39 0.00 1.06 0.00 0.00 176.91 179.32 1n63 s ALA 81 N -2.58 2.66 0.84 6.32 0.00 -1.26 -4.25 121.76 123.49 1n63 s ALA 81 Ca -0.14 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1n63 s ALA 81 Cb 0.07 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 20.00 1n63 s ALA 81 CO 0.81 -0.88 1.10 0.00 0.00 0.00 0.00 175.76 176.78 1n63 s ALA 82 N -2.20 1.84 0.37 0.00 0.00 0.82 -4.93 121.76 117.66 1n63 s ALA 82 Ca 0.67 0.19 0.28 0.00 0.00 0.00 0.00 51.96 53.10 1n63 s ALA 82 Cb -0.19 -3.27 1.39 0.00 0.00 0.00 0.00 23.12 21.05 1n63 s ALA 82 CO 0.34 -2.15 2.04 -1.00 0.00 0.00 0.00 175.76 174.99 1n63 h PRO 83 N -1.40 0.00 -0.09 0.00 0.13 -1.95 0.15 132.00 128.83 1n63 h PRO 83 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1n63 h PRO 83 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1n63 h PRO 83 CO 0.51 0.13 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1n63 n ASP 84 N -3.56 0.79 0.00 1.44 5.68 -1.26 -4.83 116.55 114.81 1n63 n ASP 84 Ca -0.01 -1.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1n63 n ASP 84 Cb 0.27 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1n63 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n63 n GLY 85 N 0.91 3.37 3.77 6.12 0.00 0.51 -5.05 105.19 114.83 1n63 n GLY 85 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1n63 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n63 s THR 86 N -2.65 3.00 0.45 2.61 -4.23 -1.25 -4.68 115.64 108.90 1n63 s THR 86 Ca 0.00 0.79 -0.16 0.00 -1.18 0.00 0.00 61.69 61.15 1n63 s THR 86 Cb 0.00 -3.42 -0.08 0.00 1.34 0.00 0.00 72.50 70.33 1n63 s THR 86 CO 0.00 0.03 0.90 -0.76 -0.54 0.00 0.00 174.62 174.25 1n63 s LEU 87 N -2.82 3.77 0.98 4.79 1.43 -1.26 -0.13 118.68 125.45 1n63 s LEU 87 Ca 0.61 1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 1n63 s LEU 87 Cb -0.31 -4.35 0.18 0.00 0.03 0.00 0.00 46.19 41.74 1n63 s LEU 87 CO 0.38 -0.46 1.09 -0.94 0.23 0.00 0.00 176.35 176.65 1n63 s SER 88 N -2.86 2.52 0.18 2.29 1.04 -1.26 -4.75 113.70 110.87 1n63 s SER 88 Ca 0.57 1.79 -0.14 0.00 0.48 0.00 0.00 55.95 58.65 1n63 s SER 88 Cb -0.10 -2.39 0.17 0.00 0.10 0.00 0.00 66.02 63.81 1n63 s SER 88 CO 0.27 -3.28 1.71 0.00 0.98 0.00 0.00 173.24 172.91 1n63 h ALA 89 N -1.99 0.50 -0.01 5.32 0.00 -1.93 0.20 119.26 121.34 1n63 h ALA 89 Ca -0.50 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1n63 h ALA 89 Cb 1.29 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1n63 h ALA 89 CO 0.48 -0.34 -0.04 -0.07 0.00 0.00 0.00 179.25 179.28 1n63 h LEU 90 N 0.18 -0.11 -0.93 0.00 3.38 -1.90 0.86 115.31 116.80 1n63 h LEU 90 Ca 0.24 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1n63 h LEU 90 Cb 0.33 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1n63 h LEU 90 CO -0.34 -0.05 0.61 1.56 0.09 0.00 0.00 178.44 180.30 1n63 h GLN 91 N -0.06 1.16 -0.39 1.13 4.20 -1.73 -0.50 115.11 118.93 1n63 h GLN 91 Ca 0.02 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1n63 h GLN 91 Cb 0.09 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1n63 h GLN 91 CO -0.05 0.77 -0.03 1.49 -0.67 0.00 0.00 178.83 180.34 1n63 h GLU 92 N 1.20 0.70 -0.79 1.46 4.81 -0.87 -2.83 114.58 118.25 1n63 h GLU 92 Ca 0.36 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1n63 h GLU 92 Cb -0.04 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1n63 h GLU 92 CO -0.11 0.82 0.35 0.78 -0.73 0.00 0.00 179.01 180.12 1n63 h GLY 93 N 0.52 1.25 0.61 1.92 0.00 -0.38 0.15 103.07 107.14 1n63 h GLY 93 Ca 0.11 -0.64 0.08 0.00 0.00 0.00 0.00 47.33 46.87 1n63 h GLY 93 CO 0.03 0.61 0.53 0.74 0.00 0.00 0.00 176.54 178.45 1n63 h PHE 94 N 1.14 0.97 0.06 5.60 -1.00 -1.01 -0.64 116.94 122.07 1n63 h PHE 94 Ca 0.27 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.08 1n63 h PHE 94 Cb 0.16 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.42 1n63 h PHE 94 CO 0.02 0.44 -0.03 -0.09 -1.61 0.00 0.00 178.31 177.04 1n63 h ARG 95 N 0.92 -0.07 -0.60 1.51 2.43 -1.20 0.76 114.38 118.12 1n63 h ARG 95 Ca 0.41 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1n63 h ARG 95 Cb 0.29 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1n63 h ARG 95 CO -0.22 0.39 0.38 0.52 -1.51 0.00 0.00 179.97 179.54 1n63 h MET 96 N -0.58 0.79 -0.41 0.20 2.86 -0.50 -2.68 114.93 114.61 1n63 h MET 96 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1n63 h MET 96 Cb 0.50 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1n63 h MET 96 CO 0.01 0.54 0.00 -1.33 1.06 0.00 0.00 176.91 177.19 1n63 n MET 97 N -4.43 2.51 -3.51 1.72 2.81 -0.26 -4.97 117.12 110.97 1n63 n MET 97 Ca 0.06 -2.28 -0.19 0.00 -1.81 0.00 0.00 57.70 53.48 1n63 n MET 97 Cb 0.05 -1.52 0.07 0.00 -0.71 0.00 0.00 33.22 31.12 1n63 n MET 97 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1n63 n HIS 98 N 1.47 -2.18 0.69 2.03 -0.00 -0.93 -4.77 115.22 111.53 1n63 n HIS 98 Ca 0.20 0.92 0.04 0.00 0.46 0.00 0.00 57.72 59.34 1n63 n HIS 98 Cb 0.60 -4.91 0.15 0.00 -0.12 0.00 0.00 29.99 25.72 1n63 n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n63 n GLY 99 N -1.30 1.12 3.31 1.57 0.00 0.21 -4.73 105.19 105.37 1n63 n GLY 99 Ca -0.26 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1n63 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n63 s LEU 100 N -1.07 0.47 0.00 0.99 2.34 -1.26 -4.60 118.68 115.56 1n63 s LEU 100 Ca 0.22 -0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.33 1n63 s LEU 100 Cb 0.14 1.70 0.00 0.00 -0.56 0.00 0.00 46.19 47.46 1n63 s LEU 100 CO 0.11 -0.68 0.00 0.00 -1.06 0.00 0.00 176.35 174.72 1n63 n GLN 101 N 0.41 0.00 0.22 1.48 6.02 -1.26 -4.86 117.38 119.38 1n63 n GLN 101 Ca -0.18 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.91 1n63 n GLN 101 Cb 0.60 0.00 0.40 0.00 1.02 0.00 0.00 30.24 32.26 1n63 n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n63 n GLY 103 N 0.34 0.86 0.23 0.00 0.00 -1.26 -4.94 105.19 100.41 1n63 n GLY 103 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1n63 n GLY 103 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n63 h TYR 104 N 0.00 1.01 0.00 1.61 3.20 -1.99 -2.75 116.97 118.05 1n63 h TYR 104 Ca 0.00 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1n63 h TYR 104 Cb 0.00 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1n63 h TYR 104 CO 0.00 1.24 -0.07 0.00 -1.64 0.00 0.00 178.16 177.69 1n63 h THR 106 N 0.00 1.22 -0.74 0.00 2.02 -1.87 -0.43 112.91 113.11 1n63 h THR 106 Ca 0.00 -0.69 0.11 0.00 0.77 0.00 0.00 66.41 66.59 1n63 h THR 106 Cb 0.54 1.36 -0.08 0.00 -1.74 0.00 0.00 68.15 68.22 1n63 h THR 106 CO 0.00 0.21 0.36 -0.65 0.37 0.00 0.00 175.52 175.81 1n63 h PRO 107 N 0.07 0.58 -0.00 6.66 0.11 -1.79 -0.40 132.00 137.22 1n63 h PRO 107 Ca 0.05 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1n63 h PRO 107 Cb 0.29 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 1n63 h PRO 107 CO 0.00 0.38 -0.63 0.78 -0.21 0.00 0.00 178.00 178.33 1n63 h GLY 108 N 0.60 0.00 0.77 -0.55 0.00 -1.58 0.13 103.07 102.44 1n63 h GLY 108 Ca 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.65 1n63 h GLY 108 CO -0.30 0.00 -0.08 1.98 0.00 0.00 0.00 176.54 178.14 1n63 h MET 109 N 0.00 0.35 -0.50 4.80 -1.53 -0.54 -0.50 114.93 117.01 1n63 h MET 109 Ca -0.01 -0.15 -0.11 0.00 -3.44 0.00 0.00 59.70 55.99 1n63 h MET 109 Cb 1.11 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 32.13 1n63 h MET 109 CO 0.08 0.66 -0.10 0.82 0.14 0.00 0.00 176.91 178.51 1n63 h ILE 110 N 0.03 1.27 -0.32 1.77 2.04 -0.99 -0.26 117.51 121.05 1n63 h ILE 110 Ca 0.04 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.54 1n63 h ILE 110 Cb 0.56 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1n63 h ILE 110 CO 0.02 0.43 -0.27 0.24 0.00 0.00 0.00 178.15 178.57 1n63 h MET 111 N 0.81 0.64 -0.37 2.37 2.86 -0.87 -0.06 114.93 120.32 1n63 h MET 111 Ca 0.13 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1n63 h MET 111 Cb 0.66 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1n63 h MET 111 CO 0.05 0.85 0.07 -0.09 1.06 0.00 0.00 176.91 178.84 1n63 h ARG 112 N 0.56 0.60 0.00 1.72 9.65 -1.00 -3.00 114.38 122.91 1n63 h ARG 112 Ca 0.07 -0.16 -0.04 0.00 -1.10 0.00 0.00 59.98 58.75 1n63 h ARG 112 Cb 0.76 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 1n63 h ARG 112 CO 0.06 0.66 -0.21 0.77 2.80 0.00 0.00 179.97 184.05 1n63 h SER 113 N 0.45 0.00 -0.46 -3.80 0.02 -0.68 -0.38 113.55 108.69 1n63 h SER 113 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1n63 h SER 113 Cb 0.35 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1n63 h SER 113 CO 0.01 0.21 0.30 -0.74 -1.14 0.00 0.00 176.83 175.47 1n63 h HIS 114 N 0.00 0.59 -0.19 3.45 -0.00 -0.87 -1.08 115.15 117.03 1n63 h HIS 114 Ca -0.00 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.25 1n63 h HIS 114 Cb 0.39 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1n63 h HIS 114 CO 0.00 0.38 -0.36 -0.09 -0.00 0.00 0.00 177.93 177.86 1n63 h ARG 115 N 0.62 0.59 -0.51 5.26 9.65 -1.36 -3.10 114.38 125.54 1n63 h ARG 115 Ca 0.17 -0.37 0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1n63 h ARG 115 Cb -0.06 0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 28.48 1n63 h ARG 115 CO -0.04 0.99 -0.03 1.25 2.80 0.00 0.00 179.97 184.94 1n63 h LEU 116 N 0.26 -0.28 -0.49 3.80 5.85 -0.71 0.64 115.31 124.37 1n63 h LEU 116 Ca 0.01 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1n63 h LEU 116 Cb 0.96 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1n63 h LEU 116 CO 0.08 -0.10 0.00 0.18 -0.34 0.00 0.00 178.44 178.26 1n63 n LEU 117 N -5.27 0.63 0.06 2.25 4.77 -0.44 -0.72 117.00 118.28 1n63 n LEU 117 Ca 0.06 0.63 -0.17 0.00 -0.03 0.00 0.00 56.01 56.49 1n63 n LEU 117 Cb 0.28 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 1n63 n LEU 117 CO 0.14 -0.45 -0.38 1.56 -1.33 0.00 0.00 177.39 176.93 1n63 h GLN 118 N 0.00 0.26 -0.84 3.23 4.20 -1.03 -2.96 115.11 117.96 1n63 h GLN 118 Ca 0.00 -0.44 -0.03 0.00 0.06 0.00 0.00 58.65 58.23 1n63 h GLN 118 Cb 0.43 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1n63 h GLN 118 CO 0.00 1.12 0.40 0.93 -0.67 0.00 0.00 178.83 180.61 1n63 h GLU 119 N 0.07 1.22 -1.88 1.46 5.08 -0.51 -3.41 114.58 116.62 1n63 h GLU 119 Ca -0.26 -0.18 -0.34 0.00 -1.00 0.00 0.00 59.36 57.58 1n63 h GLU 119 Cb 2.03 -0.22 -0.30 0.00 0.50 0.00 0.00 28.75 30.76 1n63 h GLU 119 CO 0.16 0.94 -0.66 1.21 -1.00 0.00 0.00 179.01 179.66 1n63 s ASN 120 N -6.31 0.95 0.33 1.42 3.84 0.10 -5.03 114.94 110.24 1n63 s ASN 120 Ca -0.12 -1.43 0.26 0.00 0.21 0.00 0.00 52.86 51.78 1n63 s ASN 120 Cb 0.16 0.69 1.09 0.00 -0.55 0.00 0.00 41.25 42.64 1n63 s ASN 120 CO 0.83 -0.26 1.78 -0.65 -2.79 0.00 0.00 177.10 176.01 1n63 h PRO 121 N 7.16 0.00 -2.08 0.43 0.11 -1.75 -3.33 132.00 132.54 1n63 h PRO 121 Ca 0.03 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.57 1n63 h PRO 121 Cb 1.07 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 1n63 h PRO 121 CO 0.20 0.00 -0.91 0.45 -0.21 0.00 0.00 178.00 177.54 1n63 n SER 122 N -2.45 1.63 -4.82 -2.05 2.88 -1.26 -4.84 113.62 102.71 1n63 n SER 122 Ca 0.02 -3.00 -0.33 0.00 -1.33 0.00 0.00 58.87 54.22 1n63 n SER 122 Cb 0.24 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 62.98 1n63 n SER 122 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n63 s PRO 123 N -1.75 4.24 0.92 -1.46 0.04 -1.25 -5.06 135.00 130.68 1n63 s PRO 123 Ca 0.37 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1n63 s PRO 123 Cb 0.17 -2.26 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1n63 s PRO 123 CO -0.07 0.02 1.13 0.95 0.04 0.00 0.00 177.00 179.07 1n63 s THR 124 N -2.11 2.00 0.22 1.26 -4.23 -1.26 -4.81 115.64 106.71 1n63 s THR 124 Ca 0.60 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 1n63 s THR 124 Cb -0.10 -2.72 0.17 0.00 1.34 0.00 0.00 72.50 71.19 1n63 s THR 124 CO 0.14 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 175.98 1n63 h GLU 125 N -1.55 0.82 -0.36 3.99 4.81 -1.99 0.95 114.58 121.24 1n63 h GLU 125 Ca -0.51 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 1n63 h GLU 125 Cb 1.33 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1n63 h GLU 125 CO 0.61 0.54 -0.11 0.00 -0.73 0.00 0.00 179.01 179.32 1n63 h ALA 126 N 1.36 1.12 -0.21 2.92 0.00 -1.99 -0.64 119.26 121.81 1n63 h ALA 126 Ca 0.32 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1n63 h ALA 126 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n63 h ALA 126 CO -0.16 0.55 -0.43 0.93 0.00 0.00 0.00 179.25 180.14 1n63 h GLU 127 N 0.58 0.52 0.10 0.00 5.08 -1.71 -1.48 114.58 117.67 1n63 h GLU 127 Ca 0.10 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1n63 h GLU 127 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1n63 h GLU 127 CO 0.03 0.85 -0.05 0.82 -1.00 0.00 0.00 179.01 179.67 1n63 h ILE 128 N 0.42 1.02 -0.01 3.13 2.04 -0.29 0.30 117.51 124.11 1n63 h ILE 128 Ca 0.03 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1n63 h ILE 128 Cb 0.93 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1n63 h ILE 128 CO 0.08 0.10 -0.04 0.03 0.00 0.00 0.00 178.15 178.32 1n63 h ARG 129 N -0.32 -0.06 -0.94 2.37 3.08 -0.97 -1.36 114.38 116.19 1n63 h ARG 129 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1n63 h ARG 129 Cb 0.26 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1n63 h ARG 129 CO 0.02 -0.04 0.62 0.35 -1.07 0.00 0.00 179.97 179.85 1n63 h PHE 130 N -0.06 1.17 0.00 3.04 3.04 -1.30 -2.94 116.94 119.89 1n63 h PHE 130 Ca 0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1n63 h PHE 130 Cb 0.09 -0.40 0.00 0.00 2.56 0.00 0.00 35.95 38.20 1n63 h PHE 130 CO -0.12 0.73 0.00 0.78 -2.02 0.00 0.00 178.31 177.68 1n63 h GLY 131 N 1.25 0.00 -1.62 2.40 0.00 -0.21 -1.78 103.07 103.11 1n63 h GLY 131 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 1n63 h GLY 131 CO -0.08 0.00 -0.09 0.29 0.00 0.00 0.00 176.54 176.66 1n63 n ILE 132 N -2.96 2.39 0.30 2.60 -5.35 -0.58 -4.76 119.36 111.00 1n63 n ILE 132 Ca -0.00 -2.55 0.19 0.00 -0.27 0.00 0.00 62.75 60.12 1n63 n ILE 132 Cb 0.23 -0.29 0.87 0.00 -1.74 0.00 0.00 39.64 38.71 1n63 n ILE 132 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n63 h GLY 133 N 1.08 0.00 -0.46 3.28 0.00 -1.18 -1.55 103.07 104.23 1n63 h GLY 133 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1n63 h GLY 133 CO 0.27 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.42 1n63 n GLY 134 N -0.45 -0.15 3.02 4.60 0.00 -1.26 -4.82 105.19 106.13 1n63 n GLY 134 Ca -0.01 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 1n63 n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n63 s ASN 135 N -1.33 3.05 0.06 1.61 0.01 -0.59 -2.81 114.94 114.95 1n63 s ASN 135 Ca 0.23 -0.69 -0.18 0.00 -0.71 0.00 0.00 52.86 51.52 1n63 s ASN 135 Cb 0.12 -1.23 -0.06 0.00 0.41 0.00 0.00 41.25 40.48 1n63 s ASN 135 CO 0.18 -0.09 0.53 -0.76 -1.51 0.00 0.00 177.10 175.44 1n63 s LEU 136 N 1.43 4.50 -0.02 0.60 1.43 0.21 -4.99 118.68 121.83 1n63 s LEU 136 Ca 0.02 1.17 0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1n63 s LEU 136 Cb -0.14 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.22 1n63 s LEU 136 CO -0.10 0.27 -0.16 0.00 0.23 0.00 0.00 176.35 176.59 1n63 n ARG 138 N 2.84 0.64 -0.04 0.00 5.12 -1.26 -4.67 116.66 119.28 1n63 n ARG 138 Ca -0.16 0.04 -0.20 0.00 -1.93 0.00 0.00 57.85 55.60 1n63 n ARG 138 Cb 0.54 -1.69 -0.13 0.00 -1.16 0.00 0.00 32.46 30.02 1n63 n ARG 138 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1n63 n THR 140 N -3.43 0.47 -1.37 0.00 -2.24 -1.26 -4.95 114.28 101.49 1n63 n THR 140 Ca -0.37 -0.55 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 1n63 n THR 140 Cb 1.02 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1n63 n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n63 n GLY 141 N 1.23 1.31 4.63 3.38 0.00 -1.26 -4.08 105.19 110.40 1n63 n GLY 141 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1n63 n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n63 n TYR 142 N -2.46 0.00 -0.14 1.61 4.01 -1.26 -4.78 117.16 114.14 1n63 n TYR 142 Ca -0.13 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.54 1n63 n TYR 142 Cb 0.51 -0.24 0.02 0.00 -0.31 0.00 0.00 39.34 39.31 1n63 n TYR 142 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1n63 h GLN 143 N 0.28 0.52 0.00 -0.72 4.15 -2.00 -0.83 115.11 116.52 1n63 h GLN 143 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1n63 h GLN 143 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1n63 h GLN 143 CO 0.00 0.35 0.00 -0.91 -1.93 0.00 0.00 178.83 176.34 1n63 h ASN 144 N 0.54 0.00 -0.46 -0.69 2.35 -1.85 -2.64 115.58 112.83 1n63 h ASN 144 Ca 0.17 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1n63 h ASN 144 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1n63 h ASN 144 CO -0.07 0.00 -0.07 0.40 -1.65 0.00 0.00 177.43 176.04 1n63 h ILE 145 N 0.00 1.27 -0.37 2.81 2.04 -1.46 0.31 117.51 122.11 1n63 h ILE 145 Ca 0.00 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1n63 h ILE 145 Cb 0.82 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1n63 h ILE 145 CO 0.00 0.41 0.21 0.58 0.00 0.00 0.00 178.15 179.35 1n63 h VAL 146 N 0.70 1.13 -0.84 1.67 2.07 -1.03 -1.41 116.25 118.55 1n63 h VAL 146 Ca 0.12 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.33 1n63 h VAL 146 Cb 0.61 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1n63 h VAL 146 CO 0.04 0.13 0.55 0.11 0.02 0.00 0.00 177.57 178.42 1n63 h LYS 147 N 0.48 1.10 -0.68 1.57 1.57 -1.31 -0.79 116.57 118.51 1n63 h LYS 147 Ca 0.13 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1n63 h LYS 147 Cb 0.03 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1n63 h LYS 147 CO -0.02 0.74 0.45 0.00 -0.57 0.00 0.00 179.45 180.05 1n63 h ALA 148 N 1.30 0.87 -0.21 3.86 0.00 -0.28 -0.23 119.26 124.57 1n63 h ALA 148 Ca 0.31 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1n63 h ALA 148 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1n63 h ALA 148 CO -0.07 0.29 -0.52 0.82 0.00 0.00 0.00 179.25 179.78 1n63 h ILE 149 N 0.93 1.31 -0.58 0.00 2.04 -0.87 -1.36 117.51 118.98 1n63 h ILE 149 Ca 0.25 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1n63 h ILE 149 Cb -0.11 1.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1n63 h ILE 149 CO -0.05 0.55 0.24 1.56 0.00 0.00 0.00 178.15 180.44 1n63 h GLN 150 N 0.47 0.86 -0.79 2.37 4.20 -0.93 0.17 115.11 121.47 1n63 h GLN 150 Ca 0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1n63 h GLN 150 Cb 1.06 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 1n63 h GLN 150 CO 0.10 0.74 0.43 -0.92 -0.67 0.00 0.00 178.83 178.51 1n63 h TYR 151 N 0.80 1.08 -0.16 2.96 5.03 -0.80 -1.11 116.97 124.76 1n63 h TYR 151 Ca 0.19 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.42 1n63 h TYR 151 Cb 0.19 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.12 1n63 h TYR 151 CO 0.01 0.76 -0.10 0.00 -1.32 0.00 0.00 178.16 177.50 1n63 h ALA 152 N 1.23 0.23 -0.84 1.82 0.00 -0.85 -0.80 119.26 120.04 1n63 h ALA 152 Ca 0.28 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1n63 h ALA 152 Cb 0.04 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1n63 h ALA 152 CO -0.04 0.07 0.52 0.00 0.00 0.00 0.00 179.25 179.80 1n63 h ALA 153 N 0.65 1.15 -0.22 0.00 0.00 -0.77 -0.74 119.26 119.34 1n63 h ALA 153 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1n63 h ALA 153 Cb 0.60 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1n63 h ALA 153 CO 0.03 0.27 -0.38 0.00 0.00 0.00 0.00 179.25 179.17 1n63 h ALA 154 N 1.40 0.95 -0.19 0.00 0.00 -0.90 0.14 119.26 120.65 1n63 h ALA 154 Ca 0.37 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1n63 h ALA 154 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1n63 h ALA 154 CO -0.17 0.62 0.09 0.87 0.00 0.00 0.00 179.25 180.66 1n63 h LYS 155 N 0.41 0.29 -0.49 0.00 1.79 -0.66 -0.59 116.57 117.31 1n63 h LYS 155 Ca 0.04 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1n63 h LYS 155 Cb 0.84 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1n63 h LYS 155 CO 0.07 0.33 -0.09 0.82 -1.08 0.00 0.00 179.45 179.50 1n63 h ILE 156 N 0.17 1.26 0.00 1.86 2.04 -0.83 -3.23 117.51 118.79 1n63 h ILE 156 Ca 0.07 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1n63 h ILE 156 Cb 0.15 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1n63 h ILE 156 CO -0.01 0.42 -0.54 0.78 0.00 0.00 0.00 178.15 178.80 1n63 h ASN 157 N 0.81 0.00 -0.10 1.72 2.35 -0.62 -3.47 115.58 116.26 1n63 h ASN 157 Ca 0.13 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1n63 h ASN 157 Cb 0.61 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1n63 h ASN 157 CO 0.04 0.03 -0.04 0.61 -1.65 0.00 0.00 177.43 176.42 1n63 n GLY 158 N 1.22 0.51 3.43 2.83 0.00 -0.24 -5.00 105.19 107.93 1n63 n GLY 158 Ca 0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1n63 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n63 s VAL 159 N -1.87 0.00 0.69 1.61 0.11 -1.11 -5.05 120.40 114.80 1n63 s VAL 159 Ca 0.00 -0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.90 1n63 s VAL 159 Cb 0.00 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1n63 s VAL 159 CO 0.00 -0.02 1.08 -2.16 -3.33 0.00 0.00 175.10 170.67 1n63 s PRO 160 N 0.03 2.91 0.00 1.54 0.04 -1.26 -4.40 135.00 133.86 1n63 s PRO 160 Ca -0.02 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1n63 s PRO 160 Cb -0.04 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1n63 s PRO 160 CO 0.02 -0.99 0.00 0.34 0.04 0.00 0.00 177.00 176.41 1n63 n PHE 161 N -2.97 0.00 1.30 0.56 7.35 -1.26 -5.06 117.46 117.38 1n63 n PHE 161 Ca 0.07 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.89 1n63 n PHE 161 Cb 0.57 0.00 0.35 0.00 0.35 0.00 0.00 39.48 40.75 1n63 n PHE 161 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39