#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n62 s ALA 4 N 0.00 3.73 -0.20 7.82 0.00 0.15 -4.82 121.76 128.44 1n62 s ALA 4 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 1n62 s ALA 4 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1n62 s ALA 4 CO 0.00 0.55 0.40 -1.58 0.00 0.00 0.00 175.76 175.13 1n62 s HIS 5 N -1.32 3.37 0.08 0.00 2.46 -1.26 -0.39 115.29 118.22 1n62 s HIS 5 Ca 0.30 0.61 0.07 0.00 0.47 0.00 0.00 55.06 56.51 1n62 s HIS 5 Cb -0.14 -2.53 -0.03 0.00 -0.13 0.00 0.00 32.58 29.75 1n62 s HIS 5 CO 0.17 -0.01 -0.18 0.96 -2.47 0.00 0.00 174.74 173.20 1n62 s ILE 6 N 1.33 1.47 -0.03 0.89 -4.36 0.93 -4.99 121.20 116.43 1n62 s ILE 6 Ca 0.19 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 1n62 s ILE 6 Cb -0.15 -1.34 0.01 0.00 1.25 0.00 0.00 42.46 42.23 1n62 s ILE 6 CO 0.08 -0.05 -0.08 -1.61 0.24 0.00 0.00 174.94 173.53 1n62 s GLU 7 N -1.63 0.91 0.03 0.37 2.02 -1.26 -0.68 118.70 118.46 1n62 s GLU 7 Ca 0.04 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 1n62 s GLU 7 Cb -0.09 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.29 1n62 s GLU 7 CO 0.03 0.07 0.06 1.47 0.02 0.00 0.00 175.26 176.90 1n62 n LEU 8 N 3.43 0.00 -3.98 1.80 -0.00 0.39 0.12 117.00 118.77 1n62 n LEU 8 Ca -0.19 -0.22 -0.23 0.00 -0.00 0.00 0.00 56.01 55.36 1n62 n LEU 8 Cb 0.54 0.28 -0.17 0.00 -0.00 0.00 0.00 43.42 44.08 1n62 n LEU 8 CO 0.25 -0.07 -0.45 -0.89 -0.00 0.00 0.00 177.39 176.23 1n62 s THR 9 N -2.76 0.95 -0.10 1.47 2.01 -0.10 -0.68 115.64 116.42 1n62 s THR 9 Ca 0.02 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1n62 s THR 9 Cb -0.00 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1n62 s THR 9 CO 0.01 0.32 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.53 1n62 s ILE 10 N 0.82 1.14 -1.41 1.82 1.01 -0.02 -0.54 121.20 124.02 1n62 s ILE 10 Ca -0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 1n62 s ILE 10 Cb -0.15 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.27 1n62 s ILE 10 CO 0.02 0.38 0.62 0.59 0.00 0.00 0.00 174.94 176.54 1n62 n ASN 11 N 4.53 -4.58 0.00 3.58 3.02 0.72 -1.41 115.26 121.12 1n62 n ASN 11 Ca -0.17 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1n62 n ASN 11 Cb 0.51 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 1n62 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n62 n GLY 12 N -1.37 1.11 3.60 7.41 0.00 -1.26 -4.96 105.19 109.71 1n62 n GLY 12 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1n62 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n62 s HIS 13 N -3.18 3.06 0.43 1.61 3.76 -0.50 -5.07 115.29 115.40 1n62 s HIS 13 Ca 0.00 0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 54.66 1n62 s HIS 13 Cb 0.00 -1.82 -0.09 0.00 1.11 0.00 0.00 32.58 31.78 1n62 s HIS 13 CO 0.00 0.29 1.42 -2.30 -0.85 0.00 0.00 174.74 173.30 1n62 n PRO 14 N 2.56 2.28 -4.32 8.40 -0.02 -1.26 -0.84 135.00 141.80 1n62 n PRO 14 Ca -0.18 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 1n62 n PRO 14 Cb 0.53 -2.60 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 1n62 n PRO 14 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n62 s VAL 15 N -1.18 0.69 -0.03 -1.45 1.01 0.14 -4.85 120.40 114.74 1n62 s VAL 15 Ca 0.60 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1n62 s VAL 15 Cb -0.46 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1n62 s VAL 15 CO 0.59 0.22 -0.06 -0.70 0.00 0.00 0.00 175.10 175.15 1n62 s GLU 16 N 0.26 0.76 0.20 2.72 2.12 -1.26 -0.46 118.70 123.04 1n62 s GLU 16 Ca -0.04 -0.18 -0.18 0.00 0.36 0.00 0.00 54.97 54.93 1n62 s GLU 16 Cb -0.09 -0.74 0.03 0.00 0.26 0.00 0.00 34.13 33.59 1n62 s GLU 16 CO 0.00 0.03 0.55 0.00 -0.54 0.00 0.00 175.26 175.30 1n62 s ALA 17 N 0.44 -1.00 -0.13 6.30 0.00 0.14 -4.99 121.76 122.52 1n62 s ALA 17 Ca -0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1n62 s ALA 17 Cb -0.10 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1n62 s ALA 17 CO 0.00 -0.83 -0.12 -0.51 0.00 0.00 0.00 175.76 174.30 1n62 s LEU 18 N -2.87 2.77 0.07 0.00 1.43 -1.26 -0.05 118.68 118.76 1n62 s LEU 18 Ca 0.09 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1n62 s LEU 18 Cb -0.02 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1n62 s LEU 18 CO -0.02 0.17 -0.08 0.68 0.23 0.00 0.00 176.35 177.33 1n62 s VAL 19 N 0.31 0.67 0.42 -1.59 -7.23 0.47 -4.89 120.40 108.57 1n62 s VAL 19 Ca -0.10 -1.40 -0.24 0.00 -1.81 0.00 0.00 61.98 58.44 1n62 s VAL 19 Cb -0.16 -1.03 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 1n62 s VAL 19 CO 0.05 -0.53 1.09 -1.61 -0.31 0.00 0.00 175.10 173.79 1n62 s GLU 20 N -2.36 4.03 0.34 4.82 0.41 -1.26 0.35 118.70 125.03 1n62 s GLU 20 Ca -0.02 1.60 0.04 0.00 -0.41 0.00 0.00 54.97 56.19 1n62 s GLU 20 Cb -0.05 -2.49 0.67 0.00 -1.78 0.00 0.00 34.13 30.48 1n62 s GLU 20 CO -0.01 -0.28 1.95 -1.35 -0.49 0.00 0.00 175.26 175.08 1n62 h PRO 21 N 2.34 0.82 0.00 0.39 0.11 -1.96 -1.63 132.00 132.07 1n62 h PRO 21 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1n62 h PRO 21 Cb 1.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1n62 h PRO 21 CO 0.62 0.54 0.00 2.89 -0.21 0.00 0.00 178.00 181.84 1n62 n ARG 22 N -4.48 0.22 -1.79 1.05 1.85 -1.26 -4.58 116.66 107.67 1n62 n ARG 22 Ca 0.11 0.05 -0.42 0.00 -1.00 0.00 0.00 57.85 56.59 1n62 n ARG 22 Cb 0.20 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.08 1n62 n ARG 22 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1n62 s THR 23 N -2.75 3.13 0.47 8.89 2.01 -0.61 -4.94 115.64 121.84 1n62 s THR 23 Ca 0.19 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.21 1n62 s THR 23 Cb 0.17 -3.16 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 1n62 s THR 23 CO 0.42 -0.02 1.24 -0.76 -0.69 0.00 0.00 174.62 174.81 1n62 s LEU 24 N 4.06 4.01 0.30 4.42 1.43 -1.26 -0.86 118.68 130.76 1n62 s LEU 24 Ca 0.83 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 1n62 s LEU 24 Cb -0.40 -4.19 0.52 0.00 0.03 0.00 0.00 46.19 42.15 1n62 s LEU 24 CO 0.37 -1.08 1.91 0.25 0.23 0.00 0.00 176.35 178.03 1n62 h LEU 25 N 2.01 0.92 -0.87 1.79 5.85 0.02 0.26 115.31 125.30 1n62 h LEU 25 Ca -0.50 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.29 1n62 h LEU 25 Cb 1.26 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1n62 h LEU 25 CO 0.60 0.59 0.54 -0.29 -0.34 0.00 0.00 178.44 179.54 1n62 h ILE 26 N 1.04 1.06 -0.08 4.05 6.09 -1.23 0.99 117.51 129.43 1n62 h ILE 26 Ca 0.39 -0.34 -0.19 0.00 -1.37 0.00 0.00 64.86 63.35 1n62 h ILE 26 Cb 0.20 -0.03 -0.00 0.00 0.47 0.00 0.00 36.82 37.45 1n62 h ILE 26 CO -0.15 0.18 -0.75 0.45 -3.07 0.00 0.00 178.15 174.81 1n62 h HIS 27 N 1.00 0.64 -0.46 2.19 3.86 -1.31 -0.33 115.15 120.73 1n62 h HIS 27 Ca 0.38 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1n62 h HIS 27 Cb 0.15 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1n62 h HIS 27 CO -0.03 1.06 0.30 0.35 0.86 0.00 0.00 177.93 180.47 1n62 h PHE 28 N 0.32 0.59 -0.08 2.45 3.57 -0.48 0.70 116.94 124.01 1n62 h PHE 28 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1n62 h PHE 28 Cb 1.34 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1n62 h PHE 28 CO 0.05 0.38 0.03 0.82 -2.23 0.00 0.00 178.31 177.37 1n62 h ILE 29 N 0.62 1.13 -0.01 1.41 2.04 -0.72 0.15 117.51 122.13 1n62 h ILE 29 Ca 0.17 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1n62 h ILE 29 Cb -0.06 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1n62 h ILE 29 CO -0.04 0.11 -0.12 0.03 0.00 0.00 0.00 178.15 178.13 1n62 h ARG 30 N -0.01 0.10 0.05 2.37 3.08 -0.92 -0.04 114.38 119.00 1n62 h ARG 30 Ca 0.03 -0.09 -0.32 0.00 0.07 0.00 0.00 59.98 59.67 1n62 h ARG 30 Cb 0.14 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1n62 h ARG 30 CO -0.00 0.82 -1.78 0.93 -1.07 0.00 0.00 179.97 178.87 1n62 h GLU 31 N -0.60 0.11 0.00 0.04 4.39 0.34 -3.04 114.58 115.82 1n62 h GLU 31 Ca -0.01 -0.19 -0.37 0.00 0.34 0.00 0.00 59.36 59.12 1n62 h GLU 31 Cb 0.86 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.51 1n62 h GLU 31 CO 0.02 0.80 -2.41 1.04 -1.16 0.00 0.00 179.01 177.30 1n62 n GLN 32 N -3.23 0.66 0.01 2.33 6.02 -0.73 -4.48 117.38 117.95 1n62 n GLN 32 Ca -0.21 0.12 0.12 0.00 -0.01 0.00 0.00 57.00 57.01 1n62 n GLN 32 Cb 1.05 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.98 1n62 n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1n62 n GLN 33 N -3.14 0.09 -2.52 -1.09 1.13 -0.04 -4.95 117.38 106.87 1n62 n GLN 33 Ca -0.42 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.44 1n62 n GLN 33 Cb 1.00 -1.54 -0.00 0.00 0.11 0.00 0.00 30.24 29.81 1n62 n GLN 33 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n62 n ASN 34 N -1.67 -5.89 -4.37 1.08 5.03 -0.91 -4.90 115.26 103.62 1n62 n ASN 34 Ca 0.04 -0.07 -0.45 0.00 0.87 0.00 0.00 54.58 54.97 1n62 n ASN 34 Cb 0.37 -4.86 -0.00 0.00 -1.02 0.00 0.00 39.78 34.26 1n62 n ASN 34 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1n62 s LEU 35 N -6.04 6.07 -0.04 3.41 1.43 -0.08 -4.86 118.68 118.57 1n62 s LEU 35 Ca 0.06 -3.39 0.09 0.00 -1.03 0.00 0.00 54.13 49.86 1n62 s LEU 35 Cb -0.03 -2.25 0.33 0.00 0.03 0.00 0.00 46.19 44.27 1n62 s LEU 35 CO 0.08 -0.42 1.19 0.35 0.23 0.00 0.00 176.35 177.78 1n62 n THR 36 N 3.23 0.76 0.04 5.49 -2.24 -1.26 -3.89 114.28 116.42 1n62 n THR 36 Ca 0.26 -0.53 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1n62 n THR 36 Cb 0.41 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 1n62 n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1n62 h GLY 37 N 4.99 -0.07 -3.91 3.38 0.00 -1.96 -3.42 103.07 102.09 1n62 h GLY 37 Ca 0.00 0.02 -0.54 0.00 0.00 0.00 0.00 47.33 46.81 1n62 h GLY 37 CO 0.08 -0.02 0.75 0.00 0.00 0.00 0.00 176.54 177.35 1n62 n ALA 38 N -2.21 2.26 -2.37 3.60 0.00 -1.26 -4.67 120.51 115.85 1n62 n ALA 38 Ca -0.08 0.33 -0.19 0.00 0.00 0.00 0.00 53.44 53.50 1n62 n ALA 38 Cb 0.13 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 1n62 n ALA 38 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1n62 s HIS 39 N -1.13 1.76 -0.19 0.00 3.76 -0.80 -4.94 115.29 113.77 1n62 s HIS 39 Ca 0.54 -0.71 -0.04 0.00 -0.15 0.00 0.00 55.06 54.70 1n62 s HIS 39 Cb -0.48 -0.95 -0.02 0.00 1.11 0.00 0.00 32.58 32.24 1n62 s HIS 39 CO 0.63 0.23 -0.04 0.42 -0.85 0.00 0.00 174.74 175.13 1n62 s ILE 40 N -3.10 3.66 -0.02 0.60 1.01 -1.26 -1.44 121.20 120.65 1n62 s ILE 40 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.50 1n62 s ILE 40 Cb 0.03 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 1n62 s ILE 40 CO 0.09 0.45 0.22 0.61 0.00 0.00 0.00 174.94 176.32 1n62 n GLY 41 N 4.16 -0.07 3.83 6.18 0.00 -1.26 -5.04 105.19 112.98 1n62 n GLY 41 Ca -0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1n62 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 n ASP 43 N -0.87 1.66 -0.02 0.00 5.68 -1.26 -4.70 116.55 117.05 1n62 n ASP 43 Ca -0.06 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1n62 n ASP 43 Cb 0.60 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1n62 n ASP 43 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1n62 n THR 44 N -0.59 0.54 -1.38 2.12 -2.24 -1.26 -5.01 114.28 106.46 1n62 n THR 44 Ca 0.03 -0.55 -0.07 0.00 -2.27 0.00 0.00 64.05 61.19 1n62 n THR 44 Cb 0.39 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1n62 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n62 n SER 45 N -0.29 -3.57 -0.01 3.42 7.64 -1.26 -4.94 113.62 114.61 1n62 n SER 45 Ca 0.01 0.13 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 1n62 n SER 45 Cb 0.39 -1.92 -0.14 0.00 -1.01 0.00 0.00 64.21 61.53 1n62 n SER 45 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1n62 n HIS 46 N -3.04 1.14 0.10 1.43 8.25 -1.26 -4.64 115.22 117.20 1n62 n HIS 46 Ca -0.07 0.28 -0.03 0.00 -0.26 0.00 0.00 57.72 57.65 1n62 n HIS 46 Cb 0.29 -1.16 -0.01 0.00 1.12 0.00 0.00 29.99 30.23 1n62 n HIS 46 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1n62 n GLY 48 N 1.09 0.52 0.26 0.00 0.00 -1.08 -0.37 105.19 105.61 1n62 n GLY 48 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1n62 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 h ALA 49 N 0.00 1.00 -0.50 4.61 0.00 -1.87 -1.74 119.26 120.75 1n62 h ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n62 h ALA 49 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1n62 h ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1n62 s THR 51 N -1.38 3.05 0.25 0.00 2.01 -0.66 -2.33 115.64 116.58 1n62 s THR 51 Ca 0.34 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.20 1n62 s THR 51 Cb 0.19 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1n62 s THR 51 CO 0.22 0.09 -0.04 0.68 -0.69 0.00 0.00 174.62 174.88 1n62 s VAL 52 N 0.61 1.42 -0.28 3.82 -7.23 -0.02 -4.45 120.40 114.27 1n62 s VAL 52 Ca 0.62 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.57 1n62 s VAL 52 Cb -0.39 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1n62 s VAL 52 CO 0.35 -0.34 0.26 -0.62 -0.31 0.00 0.00 175.10 174.45 1n62 s ASP 53 N -3.38 6.12 -0.12 4.85 2.15 -0.52 -1.03 116.67 124.74 1n62 s ASP 53 Ca 0.28 0.11 -0.02 0.00 0.43 0.00 0.00 52.55 53.35 1n62 s ASP 53 Cb 0.04 -2.16 0.04 0.00 -0.30 0.00 0.00 42.92 40.55 1n62 s ASP 53 CO 0.10 -0.10 0.03 -0.22 -0.17 0.00 0.00 175.17 174.81 1n62 s LEU 54 N 1.88 0.68 -1.51 -1.34 0.20 0.61 -0.04 118.68 119.16 1n62 s LEU 54 Ca 0.10 -0.38 -0.03 0.00 0.69 0.00 0.00 54.13 54.51 1n62 s LEU 54 Cb -0.16 -0.42 0.02 0.00 -0.43 0.00 0.00 46.19 45.20 1n62 s LEU 54 CO 0.11 -0.26 0.28 0.47 -0.29 0.00 0.00 176.35 176.65 1n62 n ASP 55 N 5.16 -0.08 -0.05 3.68 8.00 0.17 -0.77 116.55 132.67 1n62 n ASP 55 Ca -0.07 -1.13 -0.01 0.00 0.71 0.00 0.00 54.79 54.29 1n62 n ASP 55 Cb 0.49 -2.35 -0.00 0.00 -0.02 0.00 0.00 41.12 39.23 1n62 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n62 n GLY 56 N -2.15 0.48 3.31 0.44 0.00 -1.26 -5.02 105.19 100.99 1n62 n GLY 56 Ca -0.27 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1n62 n GLY 56 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n62 s MET 57 N -0.91 1.21 -0.23 1.61 -1.94 0.05 -5.07 119.30 114.02 1n62 s MET 57 Ca 0.00 -1.30 -0.21 0.00 -1.71 0.00 0.00 55.69 52.47 1n62 s MET 57 Cb 0.00 -1.37 -0.02 0.00 2.01 0.00 0.00 34.83 35.46 1n62 s MET 57 CO 0.00 0.30 0.66 -1.12 -0.01 0.00 0.00 175.02 174.84 1n62 s SER 58 N -2.34 6.65 -0.05 3.03 0.01 -1.26 -0.28 113.70 119.46 1n62 s SER 58 Ca 0.12 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.21 1n62 s SER 58 Cb -0.08 -2.36 -0.00 0.00 0.21 0.00 0.00 66.02 63.80 1n62 s SER 58 CO 0.06 -0.36 -0.17 -0.69 0.41 0.00 0.00 173.24 172.49 1n62 s VAL 59 N 2.37 1.40 -0.68 3.43 1.01 -0.20 -4.96 120.40 122.77 1n62 s VAL 59 Ca 0.28 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1n62 s VAL 59 Cb -0.16 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1n62 s VAL 59 CO 0.09 0.41 1.35 -0.54 0.00 0.00 0.00 175.10 176.41 1n62 s LYS 60 N 0.17 3.19 0.00 2.72 1.02 -1.26 -0.85 119.74 124.73 1n62 s LYS 60 Ca -0.07 0.01 0.15 0.00 0.02 0.00 0.00 55.97 56.08 1n62 s LYS 60 Cb -0.13 -4.17 0.68 0.00 -0.52 0.00 0.00 37.83 33.69 1n62 s LYS 60 CO 0.03 -2.12 1.45 -1.13 -0.92 0.00 0.00 175.35 172.66 1n62 n SER 61 N 9.65 0.00 0.00 2.83 3.41 -0.99 -0.66 113.62 127.86 1n62 n SER 61 Ca 0.07 0.33 0.15 0.00 -0.26 0.00 0.00 58.87 59.16 1n62 n SER 61 Cb 0.49 -0.41 0.83 0.00 -0.26 0.00 0.00 64.21 64.86 1n62 n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n62 n THR 63 N -1.17 2.03 -3.71 0.00 -1.04 0.16 -4.91 114.28 105.64 1n62 n THR 63 Ca 0.18 -3.29 -0.14 0.00 -2.04 0.00 0.00 64.05 58.77 1n62 n THR 63 Cb 0.19 -0.30 -0.09 0.00 -1.82 0.00 0.00 70.33 68.31 1n62 n THR 63 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1n62 s MET 64 N -3.05 0.62 0.20 -2.82 0.00 -1.24 -4.97 119.30 108.04 1n62 s MET 64 Ca 0.41 0.29 -0.13 0.00 0.00 0.00 0.00 55.69 56.26 1n62 s MET 64 Cb 0.38 0.29 -0.07 0.00 0.00 0.00 0.00 34.83 35.43 1n62 s MET 64 CO -0.05 -0.13 0.57 -0.06 0.00 0.00 0.00 175.02 175.35 1n62 s PHE 65 N -0.46 3.52 0.36 4.11 0.08 -1.26 0.32 117.98 124.65 1n62 s PHE 65 Ca -0.06 1.02 0.11 0.00 0.12 0.00 0.00 56.93 58.12 1n62 s PHE 65 Cb -0.03 -2.35 0.89 0.00 -0.57 0.00 0.00 43.02 40.95 1n62 s PHE 65 CO 0.03 0.34 1.84 0.00 -0.10 0.00 0.00 175.22 177.32 1n62 h ALA 66 N 3.05 1.92 0.00 5.36 0.00 -1.21 0.45 119.26 128.83 1n62 h ALA 66 Ca -0.48 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1n62 h ALA 66 Cb 1.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1n62 h ALA 66 CO 0.67 -0.21 -0.01 -0.39 0.00 0.00 0.00 179.25 179.31 1n62 h VAL 67 N 0.62 0.96 0.00 0.00 -1.51 -1.81 0.69 116.25 115.19 1n62 h VAL 67 Ca 0.49 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.93 1n62 h VAL 67 Cb 0.93 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1n62 h VAL 67 CO -0.24 0.01 0.00 1.56 -1.23 0.00 0.00 177.57 177.67 1n62 h GLN 68 N 0.00 0.00 -0.55 5.19 4.20 -1.27 -2.56 115.11 120.12 1n62 h GLN 68 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n62 h GLN 68 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1n62 h GLN 68 CO 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.16 1n62 n ALA 69 N -1.98 2.41 -1.66 3.87 0.00 0.23 -4.91 120.51 118.47 1n62 n ALA 69 Ca 0.00 -1.02 -0.46 0.00 0.00 0.00 0.00 53.44 51.96 1n62 n ALA 69 Cb 0.23 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1n62 n ALA 69 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1n62 n ASN 70 N 1.25 2.84 0.00 0.00 5.15 -0.97 -1.01 115.26 122.51 1n62 n ASN 70 Ca 0.20 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 1n62 n ASN 70 Cb 0.51 -1.40 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1n62 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n62 n GLY 71 N 3.02 1.63 3.88 8.20 0.00 0.12 -4.99 105.19 117.05 1n62 n GLY 71 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1n62 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n62 s ALA 72 N -3.60 3.10 -0.21 4.61 0.00 -0.18 -4.80 121.76 120.68 1n62 s ALA 72 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1n62 s ALA 72 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1n62 s ALA 72 CO 0.00 -0.80 -0.00 0.45 0.00 0.00 0.00 175.76 175.41 1n62 s SER 73 N -4.24 4.70 0.01 0.00 0.15 -1.26 -0.92 113.70 112.14 1n62 s SER 73 Ca 0.55 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 57.00 1n62 s SER 73 Cb -0.11 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1n62 s SER 73 CO 0.51 0.02 -0.20 -0.63 1.20 0.00 0.00 173.24 174.14 1n62 s ILE 74 N 1.26 2.57 -0.09 6.45 1.01 0.30 -0.65 121.20 132.05 1n62 s ILE 74 Ca 0.04 -1.12 0.04 0.00 0.00 0.00 0.00 60.65 59.61 1n62 s ILE 74 Cb -0.15 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 1n62 s ILE 74 CO 0.01 0.44 -0.24 -0.89 0.00 0.00 0.00 174.94 174.26 1n62 s THR 75 N -0.80 2.04 0.50 2.92 2.01 0.94 -0.20 115.64 123.06 1n62 s THR 75 Ca 0.13 -1.01 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1n62 s THR 75 Cb -0.10 -1.76 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1n62 s THR 75 CO 0.02 0.56 0.29 0.42 -0.69 0.00 0.00 174.62 175.22 1n62 s THR 76 N 0.29 1.76 0.51 -0.82 -4.23 -1.26 -1.44 115.64 110.46 1n62 s THR 76 Ca -0.17 -1.61 0.17 0.00 -1.18 0.00 0.00 61.69 58.89 1n62 s THR 76 Cb -0.17 -2.38 0.29 0.00 1.34 0.00 0.00 72.50 71.58 1n62 s THR 76 CO 0.08 0.00 2.12 -0.29 -0.54 0.00 0.00 174.62 175.99 1n62 h ILE 77 N 1.01 0.97 0.00 2.99 6.09 -1.90 0.18 117.51 126.85 1n62 h ILE 77 Ca -0.40 -0.02 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 1n62 h ILE 77 Cb 1.29 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 39.50 1n62 h ILE 77 CO 0.63 0.01 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.35 1n62 h GLU 78 N 0.05 0.00 -0.09 2.19 3.07 -1.98 -2.00 114.58 115.82 1n62 h GLU 78 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1n62 h GLU 78 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1n62 h GLU 78 CO -0.00 0.04 0.00 0.41 -1.40 0.00 0.00 179.01 178.05 1n62 n GLY 79 N -0.95 -0.04 0.12 -3.84 0.00 0.63 -4.43 105.19 96.69 1n62 n GLY 79 Ca -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.44 1n62 n GLY 79 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1n62 h MET 80 N 1.87 0.24 -7.15 1.61 2.86 -1.43 -3.47 114.93 109.46 1n62 h MET 80 Ca 0.00 -0.40 -0.50 0.00 -2.06 0.00 0.00 59.70 56.74 1n62 h MET 80 Cb 0.40 0.15 0.08 0.00 0.06 0.00 0.00 31.60 32.29 1n62 h MET 80 CO 0.00 1.08 0.39 0.00 1.06 0.00 0.00 176.91 179.44 1n62 s ALA 81 N -2.58 2.65 0.73 6.32 0.00 -1.26 -4.20 121.76 123.41 1n62 s ALA 81 Ca -0.14 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1n62 s ALA 81 Cb 0.07 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.91 1n62 s ALA 81 CO 0.82 -0.90 1.08 0.00 0.00 0.00 0.00 175.76 176.76 1n62 s ALA 82 N -2.15 2.43 0.47 0.00 0.00 0.25 -4.90 121.76 117.86 1n62 s ALA 82 Ca 0.68 0.24 0.22 0.00 0.00 0.00 0.00 51.96 53.10 1n62 s ALA 82 Cb -0.20 -3.24 1.32 0.00 0.00 0.00 0.00 23.12 21.00 1n62 s ALA 82 CO 0.33 -1.50 2.08 -1.35 0.00 0.00 0.00 175.76 175.32 1n62 h PRO 83 N -0.81 0.00 0.00 0.00 0.11 -1.94 0.18 132.00 129.54 1n62 h PRO 83 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n62 h PRO 83 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1n62 h PRO 83 CO 0.54 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1n62 n ASP 84 N -4.02 0.00 0.00 -2.05 3.85 -1.26 -4.82 116.55 108.24 1n62 n ASP 84 Ca -0.02 -1.19 0.00 0.00 -0.71 0.00 0.00 54.79 52.87 1n62 n ASP 84 Cb 0.20 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 1n62 n ASP 84 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n62 n GLY 85 N 0.79 1.93 3.71 6.12 0.00 0.64 -5.03 105.19 113.35 1n62 n GLY 85 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1n62 n GLY 85 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n62 s THR 86 N -2.36 3.46 0.54 2.61 -1.32 -1.25 -4.62 115.64 112.70 1n62 s THR 86 Ca 0.00 0.99 -0.20 0.00 -1.21 0.00 0.00 61.69 61.28 1n62 s THR 86 Cb 0.00 -3.64 -0.06 0.00 -1.51 0.00 0.00 72.50 67.30 1n62 s THR 86 CO 0.00 0.05 1.15 -0.76 -2.21 0.00 0.00 174.62 172.85 1n62 s LEU 87 N 1.56 3.76 1.08 9.08 1.43 -1.26 0.85 118.68 135.19 1n62 s LEU 87 Ca 0.64 2.24 -0.12 0.00 -1.03 0.00 0.00 54.13 55.86 1n62 s LEU 87 Cb -0.35 -4.55 0.24 0.00 0.03 0.00 0.00 46.19 41.56 1n62 s LEU 87 CO 0.29 -1.26 1.06 -0.94 0.23 0.00 0.00 176.35 175.73 1n62 s SER 88 N -1.69 1.72 0.21 2.29 1.04 -1.26 -4.72 113.70 111.29 1n62 s SER 88 Ca 0.73 1.46 -0.10 0.00 0.48 0.00 0.00 55.95 58.53 1n62 s SER 88 Cb -0.26 -2.18 0.24 0.00 0.10 0.00 0.00 66.02 63.92 1n62 s SER 88 CO 0.29 -3.73 1.79 0.00 0.98 0.00 0.00 173.24 172.57 1n62 h ALA 89 N -2.30 0.85 -0.25 5.32 0.00 -1.93 0.93 119.26 121.87 1n62 h ALA 89 Ca -0.58 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1n62 h ALA 89 Cb 1.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1n62 h ALA 89 CO 0.52 -0.02 0.03 -0.07 0.00 0.00 0.00 179.25 179.71 1n62 h LEU 90 N 0.60 0.41 -0.59 0.00 3.38 -1.90 0.11 115.31 117.33 1n62 h LEU 90 Ca 0.29 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1n62 h LEU 90 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1n62 h LEU 90 CO -0.20 0.58 0.35 1.56 0.09 0.00 0.00 178.44 180.82 1n62 h GLN 91 N 0.23 0.67 -0.61 1.13 4.20 -1.72 -0.04 115.11 118.97 1n62 h GLN 91 Ca 0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1n62 h GLN 91 Cb 0.35 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1n62 h GLN 91 CO 0.01 0.45 0.30 1.49 -0.67 0.00 0.00 178.83 180.40 1n62 h GLU 92 N 0.69 0.88 -0.72 1.46 4.81 -0.71 -2.55 114.58 118.45 1n62 h GLU 92 Ca 0.24 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1n62 h GLU 92 Cb 0.05 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1n62 h GLU 92 CO -0.11 0.70 0.22 0.78 -0.73 0.00 0.00 179.01 179.87 1n62 h GLY 93 N 0.84 1.20 1.18 1.92 0.00 -0.20 0.21 103.07 108.23 1n62 h GLY 93 Ca 0.21 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1n62 h GLY 93 CO -0.03 0.67 0.36 0.74 0.00 0.00 0.00 176.54 178.27 1n62 h PHE 94 N 1.07 1.05 -0.04 5.60 -1.00 -0.86 0.51 116.94 123.27 1n62 h PHE 94 Ca 0.23 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.94 1n62 h PHE 94 Cb 0.31 -0.33 0.00 0.00 3.61 0.00 0.00 35.95 39.54 1n62 h PHE 94 CO 0.02 0.77 -0.09 -0.09 -1.61 0.00 0.00 178.31 177.31 1n62 h ARG 95 N 1.05 0.14 -0.86 1.51 2.43 -0.99 0.15 114.38 117.81 1n62 h ARG 95 Ca 0.26 -0.09 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1n62 h ARG 95 Cb 0.11 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1n62 h ARG 95 CO -0.03 0.67 0.57 0.52 -1.51 0.00 0.00 179.97 180.19 1n62 h MET 96 N -0.38 1.12 -0.43 0.20 2.86 -0.30 -2.54 114.93 115.45 1n62 h MET 96 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1n62 h MET 96 Cb 0.67 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1n62 h MET 96 CO 0.02 0.74 0.00 -1.33 1.06 0.00 0.00 176.91 177.40 1n62 n MET 97 N -4.41 2.53 -3.48 1.72 2.81 0.14 -4.96 117.12 111.47 1n62 n MET 97 Ca 0.10 -2.32 -0.19 0.00 -1.81 0.00 0.00 57.70 53.49 1n62 n MET 97 Cb 0.04 -1.52 0.07 0.00 -0.71 0.00 0.00 33.22 31.09 1n62 n MET 97 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1n62 n HIS 98 N 1.50 -2.15 0.37 2.03 -0.00 -0.88 -4.74 115.22 111.35 1n62 n HIS 98 Ca 0.20 0.87 0.06 0.00 0.46 0.00 0.00 57.72 59.31 1n62 n HIS 98 Cb 0.61 -4.62 0.21 0.00 -0.12 0.00 0.00 29.99 26.06 1n62 n HIS 98 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1n62 n GLY 99 N -1.30 1.47 3.28 1.57 0.00 0.49 -4.69 105.19 106.01 1n62 n GLY 99 Ca -0.24 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1n62 n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n62 s LEU 100 N -1.20 0.74 0.00 0.99 2.34 -1.26 -4.57 118.68 115.72 1n62 s LEU 100 Ca 0.31 -0.28 0.00 0.00 0.06 0.00 0.00 54.13 54.21 1n62 s LEU 100 Cb 0.18 1.52 0.00 0.00 -0.56 0.00 0.00 46.19 47.33 1n62 s LEU 100 CO 0.17 -0.72 0.00 0.00 -1.06 0.00 0.00 176.35 174.74 1n62 n GLN 101 N 0.19 0.00 0.26 1.48 6.02 -1.26 -4.85 117.38 119.22 1n62 n GLN 101 Ca -0.17 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 56.97 1n62 n GLN 101 Cb 0.61 0.00 0.56 0.00 1.02 0.00 0.00 30.24 32.44 1n62 n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n62 n GLY 103 N 0.26 0.95 0.14 0.00 0.00 -1.26 -4.92 105.19 100.36 1n62 n GLY 103 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1n62 n GLY 103 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1n62 h TYR 104 N 0.00 0.45 0.00 1.61 3.20 -1.98 -2.58 116.97 117.66 1n62 h TYR 104 Ca 0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1n62 h TYR 104 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1n62 h TYR 104 CO 0.00 1.08 -0.26 0.00 -1.64 0.00 0.00 178.16 177.35 1n62 h THR 106 N 0.00 1.27 -0.49 0.00 2.02 -1.83 0.11 112.91 113.99 1n62 h THR 106 Ca 0.00 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.06 1n62 h THR 106 Cb 0.51 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 1n62 h THR 106 CO 0.00 0.39 0.26 -0.65 0.37 0.00 0.00 175.52 175.88 1n62 h PRO 107 N 0.55 0.49 -0.26 6.66 0.11 -1.79 0.92 132.00 138.69 1n62 h PRO 107 Ca 0.10 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 1n62 h PRO 107 Cb 0.60 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1n62 h PRO 107 CO 0.04 0.32 -0.33 0.78 -0.21 0.00 0.00 178.00 178.60 1n62 h GLY 108 N 0.50 0.60 0.92 -0.55 0.00 -1.55 0.46 103.07 103.46 1n62 h GLY 108 Ca 0.21 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1n62 h GLY 108 CO -0.14 0.50 0.09 -0.33 0.00 0.00 0.00 176.54 176.66 1n62 h MET 109 N 0.47 0.59 -0.45 4.80 2.86 -0.13 0.10 114.93 123.17 1n62 h MET 109 Ca 0.05 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1n62 h MET 109 Cb 0.81 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1n62 h MET 109 CO 0.07 0.63 -0.06 0.82 1.06 0.00 0.00 176.91 179.43 1n62 h ILE 110 N 0.44 1.27 -0.58 -1.22 2.04 -0.71 0.67 117.51 119.41 1n62 h ILE 110 Ca 0.11 -1.15 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 1n62 h ILE 110 Cb 0.31 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1n62 h ILE 110 CO 0.00 0.39 -0.04 0.24 0.00 0.00 0.00 178.15 178.75 1n62 h MET 111 N 0.67 1.05 -0.32 2.37 2.86 -0.79 0.10 114.93 120.88 1n62 h MET 111 Ca 0.12 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1n62 h MET 111 Cb 0.58 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1n62 h MET 111 CO 0.03 1.05 0.19 -0.09 1.06 0.00 0.00 176.91 179.16 1n62 h ARG 112 N 0.95 0.43 -0.01 1.72 9.65 -0.85 -2.94 114.38 123.33 1n62 h ARG 112 Ca 0.16 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 1n62 h ARG 112 Cb 0.60 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1n62 h ARG 112 CO 0.04 0.33 -0.25 0.77 2.80 0.00 0.00 179.97 183.66 1n62 h SER 113 N 0.41 0.02 -0.49 -3.80 0.02 -0.28 0.36 113.55 109.79 1n62 h SER 113 Ca 0.11 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1n62 h SER 113 Cb 0.00 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1n62 h SER 113 CO -0.02 0.27 0.24 -0.74 -1.14 0.00 0.00 176.83 175.44 1n62 h HIS 114 N 0.02 0.44 -0.11 3.45 -0.00 -0.63 -0.23 115.15 118.09 1n62 h HIS 114 Ca 0.00 0.02 -0.23 0.00 -0.00 0.00 0.00 60.37 60.16 1n62 h HIS 114 Cb 0.45 -0.12 0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1n62 h HIS 114 CO 0.00 0.21 -0.85 -0.09 -0.00 0.00 0.00 177.93 177.20 1n62 h ARG 115 N 0.47 0.75 -0.58 5.26 9.65 -1.26 -2.99 114.38 125.68 1n62 h ARG 115 Ca 0.22 -0.66 0.10 0.00 -1.10 0.00 0.00 59.98 58.53 1n62 h ARG 115 Cb 0.14 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.80 1n62 h ARG 115 CO -0.16 1.26 0.17 1.25 2.80 0.00 0.00 179.97 185.29 1n62 h LEU 116 N 0.49 0.12 -0.55 3.80 5.85 -0.46 0.16 115.31 124.72 1n62 h LEU 116 Ca -0.07 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1n62 h LEU 116 Cb 1.49 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1n62 h LEU 116 CO 0.17 0.08 0.00 -0.07 -0.34 0.00 0.00 178.44 178.28 1n62 h LEU 117 N 0.33 0.00 0.21 2.25 3.38 -1.06 0.12 115.31 120.55 1n62 h LEU 117 Ca 0.29 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.94 1n62 h LEU 117 Cb 0.39 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.16 1n62 h LEU 117 CO -0.33 0.00 -1.41 1.56 0.09 0.00 0.00 178.44 178.36 1n62 h GLN 118 N 0.00 0.46 -0.69 1.13 4.20 -1.00 -2.86 115.11 116.35 1n62 h GLN 118 Ca 0.00 -0.79 0.03 0.00 0.06 0.00 0.00 58.65 57.95 1n62 h GLN 118 Cb 0.60 0.29 -0.04 0.00 0.30 0.00 0.00 27.48 28.63 1n62 h GLN 118 CO 0.00 1.38 0.43 0.93 -0.67 0.00 0.00 178.83 180.90 1n62 h GLU 119 N 0.13 0.82 -1.94 1.46 5.08 -0.05 -3.40 114.58 116.68 1n62 h GLU 119 Ca -0.22 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 57.75 1n62 h GLU 119 Cb 2.11 -0.19 -0.31 0.00 0.50 0.00 0.00 28.75 30.86 1n62 h GLU 119 CO 0.25 0.54 -0.66 1.21 -1.00 0.00 0.00 179.01 179.36 1n62 s ASN 120 N -5.74 1.12 0.53 1.42 3.84 0.36 -5.02 114.94 111.46 1n62 s ASN 120 Ca -0.13 -1.38 0.34 0.00 0.21 0.00 0.00 52.86 51.90 1n62 s ASN 120 Cb 0.15 0.62 1.43 0.00 -0.55 0.00 0.00 41.25 42.90 1n62 s ASN 120 CO 0.77 -0.28 1.99 -0.65 -2.79 0.00 0.00 177.10 176.14 1n62 h PRO 121 N 7.29 0.00 -2.09 0.43 0.11 -1.73 -3.32 132.00 132.69 1n62 h PRO 121 Ca 0.02 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.55 1n62 h PRO 121 Cb 1.07 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.77 1n62 h PRO 121 CO 0.22 0.00 -0.89 0.45 -0.21 0.00 0.00 178.00 177.57 1n62 n SER 122 N -2.99 1.71 -4.83 -2.05 2.88 -1.26 -4.80 113.62 102.27 1n62 n SER 122 Ca 0.00 -3.01 -0.34 0.00 -1.33 0.00 0.00 58.87 54.19 1n62 n SER 122 Cb 0.27 -0.65 -0.06 0.00 -0.75 0.00 0.00 64.21 63.02 1n62 n SER 122 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n62 s PRO 123 N -1.72 4.16 1.05 -1.46 0.04 -1.25 -5.06 135.00 130.75 1n62 s PRO 123 Ca 0.37 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.13 1n62 s PRO 123 Cb 0.16 -2.51 0.21 0.00 0.04 0.00 0.00 34.50 32.40 1n62 s PRO 123 CO -0.07 0.18 1.12 0.95 0.04 0.00 0.00 177.00 179.22 1n62 s THR 124 N -1.89 1.88 0.16 1.26 -4.23 -1.26 -4.79 115.64 106.76 1n62 s THR 124 Ca 0.53 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 1n62 s THR 124 Cb -0.12 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.18 1n62 s THR 124 CO 0.18 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 175.95 1n62 h GLU 125 N -2.03 0.64 -0.77 3.99 4.81 -1.98 0.13 114.58 119.37 1n62 h GLU 125 Ca -0.51 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.62 1n62 h GLU 125 Cb 1.32 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1n62 h GLU 125 CO 0.51 0.49 0.32 0.00 -0.73 0.00 0.00 179.01 179.59 1n62 h ALA 126 N 1.12 1.11 -0.53 2.92 0.00 -1.99 -0.44 119.26 121.44 1n62 h ALA 126 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1n62 h ALA 126 Cb 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1n62 h ALA 126 CO -0.03 0.64 0.05 0.93 0.00 0.00 0.00 179.25 180.85 1n62 h GLU 127 N 1.12 0.85 0.01 0.00 5.08 -1.65 -1.06 114.58 118.93 1n62 h GLU 127 Ca 0.26 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1n62 h GLU 127 Cb 0.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1n62 h GLU 127 CO -0.02 0.82 -0.01 0.82 -1.00 0.00 0.00 179.01 179.62 1n62 h ILE 128 N 0.80 1.12 -0.49 3.13 2.04 -0.16 0.16 117.51 124.13 1n62 h ILE 128 Ca 0.16 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1n62 h ILE 128 Cb 0.41 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1n62 h ILE 128 CO 0.01 0.10 0.28 0.03 0.00 0.00 0.00 178.15 178.58 1n62 h ARG 129 N -0.19 0.67 -0.77 2.37 3.08 -0.85 -0.50 114.38 118.20 1n62 h ARG 129 Ca -0.00 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1n62 h ARG 129 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1n62 h ARG 129 CO 0.00 0.51 0.28 0.35 -1.07 0.00 0.00 179.97 180.04 1n62 h PHE 130 N 0.65 1.19 0.00 3.04 3.57 -1.20 -2.85 116.94 121.34 1n62 h PHE 130 Ca 0.17 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1n62 h PHE 130 Cb 0.02 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1n62 h PHE 130 CO -0.02 0.92 0.00 0.78 -2.23 0.00 0.00 178.31 177.76 1n62 h GLY 131 N 1.12 0.00 -1.49 2.40 0.00 0.54 -1.05 103.07 104.60 1n62 h GLY 131 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1n62 h GLY 131 CO -0.02 0.00 -0.03 0.29 0.00 0.00 0.00 176.54 176.78 1n62 n ILE 132 N -2.82 2.32 0.32 2.60 -5.35 -0.31 -4.74 119.36 111.37 1n62 n ILE 132 Ca -0.00 -2.25 0.20 0.00 -0.27 0.00 0.00 62.75 60.44 1n62 n ILE 132 Cb 0.20 -0.28 1.06 0.00 -1.74 0.00 0.00 39.64 38.89 1n62 n ILE 132 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1n62 h GLY 133 N 1.26 0.00 -0.30 3.28 0.00 -0.98 -1.03 103.07 105.30 1n62 h GLY 133 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1n62 h GLY 133 CO 0.24 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1n62 n GLY 134 N -0.87 -0.29 2.99 4.60 0.00 -1.26 -4.77 105.19 105.58 1n62 n GLY 134 Ca -0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1n62 n GLY 134 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n62 s ASN 135 N -1.37 3.00 0.09 1.61 0.01 -0.39 -2.64 114.94 115.25 1n62 s ASN 135 Ca 0.24 -0.68 -0.13 0.00 -0.71 0.00 0.00 52.86 51.57 1n62 s ASN 135 Cb 0.12 -1.16 -0.06 0.00 0.41 0.00 0.00 41.25 40.56 1n62 s ASN 135 CO 0.18 -0.11 0.48 -0.76 -1.51 0.00 0.00 177.10 175.37 1n62 s LEU 136 N 1.47 4.38 -0.04 0.60 1.43 0.50 -4.98 118.68 122.05 1n62 s LEU 136 Ca 0.02 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1n62 s LEU 136 Cb -0.15 -3.03 0.01 0.00 0.03 0.00 0.00 46.19 43.05 1n62 s LEU 136 CO -0.09 0.18 -0.09 0.00 0.23 0.00 0.00 176.35 176.57 1n62 h ARG 138 N 6.59 0.00 0.09 0.00 2.47 -2.01 -3.43 114.38 118.10 1n62 h ARG 138 Ca -0.34 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.02 1n62 h ARG 138 Cb 1.17 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.46 1n62 h ARG 138 CO 0.48 0.28 -2.08 0.00 0.56 0.00 0.00 179.97 179.21 1n62 n THR 140 N -3.48 0.59 -1.36 0.00 -2.24 -1.26 -4.94 114.28 101.58 1n62 n THR 140 Ca -0.35 -0.58 -0.12 0.00 -2.27 0.00 0.00 64.05 60.72 1n62 n THR 140 Cb 1.02 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 1n62 n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n62 n GLY 141 N 1.29 1.30 4.53 3.38 0.00 -1.26 -4.00 105.19 110.44 1n62 n GLY 141 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1n62 n GLY 141 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n62 n TYR 142 N -2.52 0.00 -0.19 1.61 4.01 -1.26 -4.76 117.16 114.05 1n62 n TYR 142 Ca -0.12 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.58 1n62 n TYR 142 Cb 0.47 -0.15 0.06 0.00 -0.31 0.00 0.00 39.34 39.41 1n62 n TYR 142 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1n62 h GLN 143 N 0.27 0.60 0.00 -0.72 4.15 -1.99 -0.56 115.11 116.85 1n62 h GLN 143 Ca 0.00 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 1n62 h GLN 143 Cb 0.00 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1n62 h GLN 143 CO 0.00 0.39 -0.36 -0.91 -1.93 0.00 0.00 178.83 176.02 1n62 h ASN 144 N 0.61 0.00 -0.60 -0.69 2.35 -1.84 -2.25 115.58 113.16 1n62 h ASN 144 Ca 0.24 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.97 1n62 h ASN 144 Cb 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1n62 h ASN 144 CO -0.14 0.36 0.27 0.40 -1.65 0.00 0.00 177.43 176.68 1n62 h ILE 145 N 0.00 1.22 -0.37 2.81 2.04 -1.41 0.90 117.51 122.70 1n62 h ILE 145 Ca -0.00 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.24 1n62 h ILE 145 Cb 1.12 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1n62 h ILE 145 CO 0.05 0.26 0.20 0.58 0.00 0.00 0.00 178.15 179.23 1n62 h VAL 146 N 0.83 1.01 -0.93 1.67 2.07 -0.93 -0.89 116.25 119.07 1n62 h VAL 146 Ca 0.20 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1n62 h VAL 146 Cb 0.15 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1n62 h VAL 146 CO -0.02 0.07 0.61 0.11 0.02 0.00 0.00 177.57 178.36 1n62 h LYS 147 N 0.41 1.20 -0.62 1.57 1.57 -1.12 -0.33 116.57 119.24 1n62 h LYS 147 Ca 0.15 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1n62 h LYS 147 Cb 0.04 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 1n62 h LYS 147 CO -0.09 0.79 0.37 0.00 -0.57 0.00 0.00 179.45 179.95 1n62 h ALA 148 N 1.35 0.81 -0.37 3.86 0.00 0.00 0.14 119.26 125.05 1n62 h ALA 148 Ca 0.35 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.09 1n62 h ALA 148 Cb -0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1n62 h ALA 148 CO -0.09 0.09 -0.41 0.82 0.00 0.00 0.00 179.25 179.67 1n62 h ILE 149 N 0.72 1.27 -0.69 0.00 2.04 -0.66 -0.97 117.51 119.21 1n62 h ILE 149 Ca 0.26 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.56 1n62 h ILE 149 Cb 0.07 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1n62 h ILE 149 CO -0.13 0.53 0.44 1.56 0.00 0.00 0.00 178.15 180.55 1n62 h GLN 150 N 0.76 0.84 -0.39 2.37 4.20 -0.67 0.38 115.11 122.60 1n62 h GLN 150 Ca 0.06 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1n62 h GLN 150 Cb 1.01 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 1n62 h GLN 150 CO 0.10 0.55 0.24 -0.92 -0.67 0.00 0.00 178.83 178.14 1n62 h TYR 151 N 0.86 0.46 -0.49 2.96 5.03 -0.47 -0.71 116.97 124.62 1n62 h TYR 151 Ca 0.27 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.56 1n62 h TYR 151 Cb -0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 1n62 h TYR 151 CO -0.04 0.28 0.16 0.00 -1.32 0.00 0.00 178.16 177.24 1n62 h ALA 152 N 1.16 0.64 -0.67 1.82 0.00 -0.69 -0.02 119.26 121.50 1n62 h ALA 152 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1n62 h ALA 152 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1n62 h ALA 152 CO -0.05 0.29 0.35 0.00 0.00 0.00 0.00 179.25 179.84 1n62 h ALA 153 N 1.01 0.85 -0.27 0.00 0.00 -0.64 0.63 119.26 120.84 1n62 h ALA 153 Ca 0.16 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1n62 h ALA 153 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n62 h ALA 153 CO -0.01 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.40 1n62 h ALA 154 N 1.17 1.11 -0.08 0.00 0.00 -0.65 0.13 119.26 120.93 1n62 h ALA 154 Ca 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1n62 h ALA 154 Cb 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n62 h ALA 154 CO -0.03 0.55 0.03 -0.22 0.00 0.00 0.00 179.25 179.58 1n62 h LYS 155 N 0.45 0.12 -0.64 0.00 1.63 -0.18 -0.13 116.57 117.82 1n62 h LYS 155 Ca 0.07 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1n62 h LYS 155 Cb 0.64 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 1n62 h LYS 155 CO 0.05 0.25 0.20 0.82 -3.45 0.00 0.00 179.45 177.32 1n62 h ILE 156 N -0.03 1.25 0.00 2.00 2.04 -0.51 -3.17 117.51 119.08 1n62 h ILE 156 Ca 0.03 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1n62 h ILE 156 Cb 0.18 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1n62 h ILE 156 CO -0.00 0.33 -0.14 0.78 0.00 0.00 0.00 178.15 179.12 1n62 h ASN 157 N 0.93 0.00 -0.15 1.72 2.35 -0.58 -3.47 115.58 116.38 1n62 h ASN 157 Ca 0.21 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1n62 h ASN 157 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1n62 h ASN 157 CO -0.01 0.01 -0.06 0.61 -1.65 0.00 0.00 177.43 176.33 1n62 n GLY 158 N 1.18 0.58 3.54 2.83 0.00 -0.08 -4.99 105.19 108.25 1n62 n GLY 158 Ca 0.04 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 1n62 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n62 s VAL 159 N -1.90 0.00 0.68 1.61 0.11 -1.07 -5.04 120.40 114.80 1n62 s VAL 159 Ca 0.00 -0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 1n62 s VAL 159 Cb 0.00 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1n62 s VAL 159 CO 0.00 -0.01 1.07 -2.16 -3.33 0.00 0.00 175.10 170.67 1n62 s PRO 160 N -0.11 3.07 0.00 1.54 0.04 -1.26 -4.36 135.00 133.92 1n62 s PRO 160 Ca -0.03 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.61 1n62 s PRO 160 Cb -0.03 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1n62 s PRO 160 CO 0.03 -0.92 0.00 0.34 0.04 0.00 0.00 177.00 176.50 1n62 n PHE 161 N -2.96 0.00 -2.81 0.56 7.35 -1.26 -5.05 117.46 113.29 1n62 n PHE 161 Ca 0.07 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.54 1n62 n PHE 161 Cb 0.56 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.41 1n62 n PHE 161 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1n62 s GLU 162 N 0.00 2.78 0.00 -4.13 2.02 -1.26 -5.21 118.70 112.90 1n62 s GLU 162 Ca 0.00 -0.67 0.27 0.00 0.02 0.00 0.00 54.97 54.59 1n62 s GLU 162 Cb 0.00 -2.53 1.63 0.00 0.10 0.00 0.00 34.13 33.33 1n62 s GLU 162 CO 0.00 -0.50 1.98 0.39 0.02 0.00 0.00 175.26 177.15