#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg1 s THR 3 N 0.00 4.84 -1.11 3.84 2.01 -1.26 -4.99 115.64 118.97 1sg1 s THR 3 Ca 0.00 1.45 -0.21 0.00 0.31 0.00 0.00 61.69 63.24 1sg1 s THR 3 Cb 0.00 -4.03 0.06 0.00 0.01 0.00 0.00 72.50 68.54 1sg1 s THR 3 CO 0.00 0.37 1.54 0.00 -0.69 0.00 0.00 174.62 175.84 1sg1 n SER 5 N 8.69 0.00 -0.02 0.00 3.41 -1.26 -1.72 113.62 122.71 1sg1 n SER 5 Ca 0.38 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.97 1sg1 n SER 5 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1sg1 n SER 5 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1sg1 n THR 6 N -0.72 0.30 -1.22 6.66 -1.04 -1.26 -5.01 114.28 111.99 1sg1 n THR 6 Ca 0.00 -0.20 -0.08 0.00 -2.04 0.00 0.00 64.05 61.73 1sg1 n THR 6 Cb 0.00 -0.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.78 1sg1 n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sg1 n GLY 7 N 2.62 0.92 3.08 3.41 0.00 -0.70 -4.98 105.19 109.54 1sg1 n GLY 7 Ca -0.07 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1sg1 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sg1 s LEU 8 N -1.76 1.89 0.10 0.99 1.43 -1.26 -5.08 118.68 114.98 1sg1 s LEU 8 Ca 0.00 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1sg1 s LEU 8 Cb 0.00 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 1sg1 s LEU 8 CO 0.00 0.13 -0.23 -0.31 0.23 0.00 0.00 176.35 176.16 1sg1 s TYR 9 N 0.02 2.00 0.77 0.29 2.02 -1.26 -0.40 117.35 120.79 1sg1 s TYR 9 Ca -0.02 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.18 1sg1 s TYR 9 Cb -0.09 -1.11 0.08 0.00 -0.40 0.00 0.00 41.96 40.43 1sg1 s TYR 9 CO 0.01 0.23 1.12 -0.08 -1.57 0.00 0.00 175.55 175.26 1sg1 s THR 10 N -1.05 2.10 -0.85 -0.71 -1.32 0.23 -4.81 115.64 109.23 1sg1 s THR 10 Ca 0.09 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1sg1 s THR 10 Cb -0.10 -3.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.89 1sg1 s THR 10 CO 0.04 0.00 0.76 1.41 -2.21 0.00 0.00 174.62 174.62 1sg1 n HIS 11 N -3.18 0.00 -1.61 9.09 8.25 -0.70 -1.93 115.22 125.13 1sg1 n HIS 11 Ca 0.08 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.60 1sg1 n HIS 11 Cb 0.61 -0.29 0.12 0.00 1.12 0.00 0.00 29.99 31.55 1sg1 n HIS 11 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1sg1 n SER 12 N -1.26 1.53 0.00 0.41 3.41 -1.26 -4.98 113.62 111.47 1sg1 n SER 12 Ca 0.00 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1sg1 n SER 12 Cb 0.12 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1sg1 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sg1 n GLY 13 N -0.79 0.70 3.76 5.00 0.00 -0.81 -5.04 105.19 108.00 1sg1 n GLY 13 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1sg1 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sg1 s GLU 14 N -0.37 4.35 -0.53 1.61 8.01 -1.26 -4.82 118.70 125.69 1sg1 s GLU 14 Ca 0.00 0.82 -0.28 0.00 0.01 0.00 0.00 54.97 55.52 1sg1 s GLU 14 Cb 0.00 -3.34 0.00 0.00 -4.31 0.00 0.00 34.13 26.49 1sg1 s GLU 14 CO 0.00 0.38 1.55 0.00 0.01 0.00 0.00 175.26 177.20 1sg1 s LYS 17 N -0.95 3.40 0.05 0.00 1.02 -1.26 -4.72 119.74 117.28 1sg1 s LYS 17 Ca 0.67 0.88 0.05 0.00 0.02 0.00 0.00 55.97 57.59 1sg1 s LYS 17 Cb -0.92 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 1sg1 s LYS 17 CO 0.57 -0.73 -0.10 0.00 -0.92 0.00 0.00 175.35 174.17 1sg1 s ALA 18 N -3.01 2.92 -0.50 5.17 0.00 -1.26 -4.59 121.76 120.49 1sg1 s ALA 18 Ca 0.57 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.14 1sg1 s ALA 18 Cb -0.12 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.05 1sg1 s ALA 18 CO 0.50 0.62 1.02 0.00 0.00 0.00 0.00 175.76 177.90 1sg1 n ASN 20 N 7.58 -1.38 -4.70 0.00 2.04 -1.26 -2.00 115.26 115.54 1sg1 n ASN 20 Ca 0.07 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.79 1sg1 n ASN 20 Cb 0.49 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.71 1sg1 n ASN 20 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 1sg1 s LEU 21 N 0.00 4.34 0.00 -4.53 2.96 -1.26 -2.73 118.68 117.46 1sg1 s LEU 21 Ca 0.00 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 1sg1 s LEU 21 Cb 0.00 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1sg1 s LEU 21 CO 0.00 -0.63 0.00 0.61 -1.32 0.00 0.00 176.35 175.01 1sg1 n GLY 22 N 3.47 0.81 3.08 7.98 0.00 0.97 -4.94 105.19 116.57 1sg1 n GLY 22 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1sg1 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sg1 s GLU 23 N -0.57 1.33 0.56 1.61 2.02 -1.11 -1.65 118.70 120.89 1sg1 s GLU 23 Ca 0.00 -0.48 0.07 0.00 0.02 0.00 0.00 54.97 54.58 1sg1 s GLU 23 Cb 0.00 -1.21 0.06 0.00 0.10 0.00 0.00 34.13 33.08 1sg1 s GLU 23 CO 0.00 0.22 0.57 0.20 0.02 0.00 0.00 175.26 176.27 1sg1 s GLY 24 N -0.01 2.11 -0.43 -1.39 0.00 -0.56 -4.38 107.32 102.65 1sg1 s GLY 24 Ca -0.01 -1.62 -0.19 0.00 0.00 0.00 0.00 44.72 42.91 1sg1 s GLY 24 CO 0.01 -1.84 0.53 0.14 0.00 0.00 0.00 173.10 171.94 1sg1 s VAL 25 N -2.74 4.97 0.02 1.40 1.01 -0.88 -1.98 120.40 122.20 1sg1 s VAL 25 Ca 0.45 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 1sg1 s VAL 25 Cb -0.04 -4.12 -0.17 0.00 0.00 0.00 0.00 36.38 32.06 1sg1 s VAL 25 CO 0.29 -0.50 1.34 0.00 0.00 0.00 0.00 175.10 176.22 1sg1 h ALA 26 N 8.80 -0.38 -3.40 5.51 0.00 0.14 -3.41 119.26 126.52 1sg1 h ALA 26 Ca -0.26 -0.17 -0.34 0.00 0.00 0.00 0.00 54.91 54.14 1sg1 h ALA 26 Cb 1.10 0.15 -0.37 0.00 0.00 0.00 0.00 17.79 18.67 1sg1 h ALA 26 CO 0.84 -0.57 -0.74 -1.14 0.00 0.00 0.00 179.25 177.64 1sg1 s GLN 27 N -4.95 -0.02 0.22 0.00 0.74 -1.10 -5.02 119.66 109.53 1sg1 s GLN 27 Ca -0.15 0.28 -0.32 0.00 0.05 0.00 0.00 55.36 55.22 1sg1 s GLN 27 Cb 0.03 -0.43 -0.14 0.00 1.10 0.00 0.00 33.01 33.57 1sg1 s GLN 27 CO 0.58 -0.26 1.40 -0.35 -0.55 0.00 0.00 175.29 176.11 1sg1 n PRO 28 N 4.80 1.93 -1.89 1.67 -0.04 -1.26 -2.80 135.00 137.40 1sg1 n PRO 28 Ca -0.14 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 1sg1 n PRO 28 Cb 0.50 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1sg1 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sg1 n GLY 30 N 4.22 2.08 0.26 0.00 0.00 -1.26 -4.91 105.19 105.58 1sg1 n GLY 30 Ca 0.18 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.98 1sg1 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg1 h ALA 31 N 1.03 1.78 -1.30 4.61 0.00 -1.96 -1.87 119.26 121.55 1sg1 h ALA 31 Ca 0.00 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 54.28 1sg1 h ALA 31 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.65 1sg1 h ALA 31 CO 0.00 0.05 -0.54 -0.80 0.00 0.00 0.00 179.25 177.96 1sg1 s ASN 32 N -6.77 3.28 0.00 0.00 0.01 -1.26 -4.47 114.94 105.73 1sg1 s ASN 32 Ca -0.05 -1.58 0.00 0.00 -0.71 0.00 0.00 52.86 50.52 1sg1 s ASN 32 Cb 0.16 0.30 0.00 0.00 0.41 0.00 0.00 41.25 42.12 1sg1 s ASN 32 CO 0.64 -0.79 0.32 0.00 -1.51 0.00 0.00 177.10 175.76 1sg1 n GLN 33 N -0.99 0.00 0.00 -0.60 1.13 -1.26 -4.48 117.38 111.18 1sg1 n GLN 33 Ca -0.09 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1sg1 n GLN 33 Cb 0.66 -0.82 0.00 0.00 0.11 0.00 0.00 30.24 30.19 1sg1 n GLN 33 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1sg1 n THR 34 N -0.62 0.00 -3.85 5.09 -1.04 -1.26 -4.23 114.28 108.36 1sg1 n THR 34 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1sg1 n THR 34 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1sg1 n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1sg1 s VAL 35 N -0.22 3.43 -0.13 12.58 0.11 -1.12 -4.95 120.40 130.10 1sg1 s VAL 35 Ca 0.00 -0.89 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1sg1 s VAL 35 Cb 0.00 -2.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.04 1sg1 s VAL 35 CO 0.00 0.11 -0.01 0.00 -3.33 0.00 0.00 175.10 171.87 1sg1 s GLU 37 N -0.08 0.96 0.58 0.00 -1.05 -0.84 -4.85 118.70 113.41 1sg1 s GLU 37 Ca 0.03 -0.71 -0.21 0.00 -0.15 0.00 0.00 54.97 53.94 1sg1 s GLU 37 Cb -0.13 -0.96 -0.04 0.00 -0.44 0.00 0.00 34.13 32.56 1sg1 s GLU 37 CO 0.02 0.24 1.30 -2.30 0.95 0.00 0.00 175.26 175.47 1sg1 n PRO 38 N 2.05 1.46 -1.85 -4.83 -0.02 -1.26 -1.50 135.00 129.05 1sg1 n PRO 38 Ca -0.17 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.55 1sg1 n PRO 38 Cb 0.55 -2.51 0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1sg1 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sg1 s LEU 40 N -5.28 4.22 0.12 0.00 2.96 -1.18 -4.88 118.68 114.64 1sg1 s LEU 40 Ca 0.56 0.03 -0.35 0.00 -0.22 0.00 0.00 54.13 54.15 1sg1 s LEU 40 Cb -0.11 -2.38 -0.16 0.00 0.50 0.00 0.00 46.19 44.04 1sg1 s LEU 40 CO 0.53 -0.26 1.37 -0.67 -1.32 0.00 0.00 176.35 176.00 1sg1 n ASP 41 N 5.36 1.98 0.00 3.68 -0.08 -1.26 0.67 116.55 126.90 1sg1 n ASP 41 Ca -0.09 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 1sg1 n ASP 41 Cb 0.50 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.70 1sg1 n ASP 41 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1sg1 n ASN 42 N 2.63 0.00 -0.03 1.67 5.15 -1.16 -4.72 115.26 118.80 1sg1 n ASN 42 Ca 0.17 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.10 1sg1 n ASN 42 Cb 0.23 -0.37 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 1sg1 n ASN 42 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1sg1 n VAL 43 N -2.00 0.34 -3.86 3.44 0.31 0.20 -4.87 118.33 111.89 1sg1 n VAL 43 Ca 0.00 -0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.11 1sg1 n VAL 43 Cb 0.00 -1.14 -0.10 0.00 -0.91 0.00 0.00 33.84 31.69 1sg1 n VAL 43 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1sg1 s THR 44 N -2.12 0.08 0.09 2.52 -4.23 0.21 -2.12 115.64 110.08 1sg1 s THR 44 Ca -0.08 -0.68 -0.02 0.00 -1.18 0.00 0.00 61.69 59.73 1sg1 s THR 44 Cb 0.03 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 1sg1 s THR 44 CO 0.12 -0.37 0.03 0.72 -0.54 0.00 0.00 174.62 174.58 1sg1 s PHE 45 N -1.38 0.66 -0.27 3.99 -0.12 -0.93 -3.10 117.98 116.82 1sg1 s PHE 45 Ca -0.15 -1.11 -0.02 0.00 -0.05 0.00 0.00 56.93 55.60 1sg1 s PHE 45 Cb -0.07 -0.41 0.12 0.00 -0.63 0.00 0.00 43.02 42.03 1sg1 s PHE 45 CO 0.02 -0.46 0.25 0.45 -0.05 0.00 0.00 175.22 175.43 1sg1 s SER 46 N -2.98 1.93 -0.09 1.98 0.15 0.24 -1.78 113.70 113.15 1sg1 s SER 46 Ca 0.15 -0.74 0.15 0.00 0.70 0.00 0.00 55.95 56.21 1sg1 s SER 46 Cb 0.07 0.34 0.60 0.00 -1.71 0.00 0.00 66.02 65.32 1sg1 s SER 46 CO -0.04 -0.39 1.48 -0.90 1.20 0.00 0.00 173.24 174.59 1sg1 n ASP 47 N 5.30 4.00 -4.00 5.45 3.85 -1.24 -0.02 116.55 129.89 1sg1 n ASP 47 Ca -0.03 -2.36 -0.21 0.00 -0.71 0.00 0.00 54.79 51.47 1sg1 n ASP 47 Cb 0.46 -0.52 -0.16 0.00 -1.35 0.00 0.00 41.12 39.55 1sg1 n ASP 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1sg1 s VAL 48 N -1.78 0.84 -0.91 2.12 0.11 -1.26 -4.99 120.40 114.53 1sg1 s VAL 48 Ca 0.42 -0.37 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 1sg1 s VAL 48 Cb 0.27 -0.76 0.11 0.00 -1.53 0.00 0.00 36.38 34.47 1sg1 s VAL 48 CO 0.21 0.27 1.15 0.68 -3.33 0.00 0.00 175.10 174.07 1sg1 s VAL 49 N 0.32 4.59 0.05 2.04 -7.23 -1.26 -4.39 120.40 114.53 1sg1 s VAL 49 Ca -0.06 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1sg1 s VAL 49 Cb -0.10 -4.80 -0.03 0.00 0.56 0.00 0.00 36.38 32.01 1sg1 s VAL 49 CO 0.01 -1.55 -0.12 -0.55 -0.31 0.00 0.00 175.10 172.57 1sg1 s SER 50 N 3.80 1.45 -0.34 4.85 0.15 -0.85 -4.87 113.70 117.89 1sg1 s SER 50 Ca 0.33 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.52 1sg1 s SER 50 Cb -0.05 -0.05 0.59 0.00 -1.71 0.00 0.00 66.02 64.80 1sg1 s SER 50 CO -0.08 -0.07 1.66 0.00 1.20 0.00 0.00 173.24 175.96 1sg1 n ALA 51 N 1.55 4.72 -0.59 5.45 0.00 -1.26 -0.54 120.51 129.84 1sg1 n ALA 51 Ca -0.20 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.32 1sg1 n ALA 51 Cb 0.55 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1sg1 n ALA 51 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1sg1 n THR 52 N -0.99 0.00 -3.96 0.00 5.66 -1.26 -4.73 114.28 109.01 1sg1 n THR 52 Ca 0.43 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 61.08 1sg1 n THR 52 Cb 1.29 0.65 -0.11 0.00 -1.55 0.00 0.00 70.33 70.62 1sg1 n THR 52 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1sg1 s GLU 53 N 0.00 3.79 0.70 1.09 0.41 -1.26 -4.97 118.70 118.46 1sg1 s GLU 53 Ca 0.00 -0.43 -0.06 0.00 -0.41 0.00 0.00 54.97 54.07 1sg1 s GLU 53 Cb 0.00 -3.22 0.07 0.00 -1.78 0.00 0.00 34.13 29.19 1sg1 s GLU 53 CO 0.00 0.06 1.00 -1.25 -0.49 0.00 0.00 175.26 174.58 1sg1 s PRO 54 N 0.93 2.15 -0.03 0.39 0.04 -1.26 -2.08 135.00 135.13 1sg1 s PRO 54 Ca 0.03 -0.36 -0.30 0.00 0.04 0.00 0.00 61.00 60.41 1sg1 s PRO 54 Cb -0.14 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 1sg1 s PRO 54 CO 0.03 -1.24 1.51 0.00 0.04 0.00 0.00 177.00 177.34 1sg1 s LYS 56 N 3.16 3.85 0.01 0.00 1.02 -0.73 -4.81 119.74 122.23 1sg1 s LYS 56 Ca 0.68 0.54 -0.30 0.00 0.02 0.00 0.00 55.97 56.90 1sg1 s LYS 56 Cb -0.32 -2.40 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 1sg1 s LYS 56 CO 0.27 0.01 1.44 -1.25 -0.92 0.00 0.00 175.35 174.90 1sg1 s PRO 57 N -3.61 4.27 0.26 -1.68 0.04 -1.26 -2.19 135.00 130.82 1sg1 s PRO 57 Ca 0.52 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 63.27 1sg1 s PRO 57 Cb -0.10 -3.58 -0.13 0.00 0.04 0.00 0.00 34.50 30.73 1sg1 s PRO 57 CO 0.27 -0.60 1.44 0.00 0.04 0.00 0.00 177.00 178.16 1sg1 s THR 59 N -0.09 2.54 -0.04 0.00 2.01 -1.26 -4.98 115.64 113.82 1sg1 s THR 59 Ca 0.67 0.42 0.01 0.00 0.31 0.00 0.00 61.69 63.10 1sg1 s THR 59 Cb -0.61 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1sg1 s THR 59 CO 0.50 0.05 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.84 1sg1 s GLU 60 N 0.25 2.79 -0.32 4.92 2.02 -1.26 -4.59 118.70 122.51 1sg1 s GLU 60 Ca 0.65 -0.55 -0.24 0.00 0.02 0.00 0.00 54.97 54.84 1sg1 s GLU 60 Cb -0.44 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1sg1 s GLU 60 CO 0.39 0.66 0.82 0.00 0.02 0.00 0.00 175.26 177.14 1sg1 s LEU 62 N 3.08 3.24 0.00 0.00 1.43 -1.26 -4.85 118.68 120.32 1sg1 s LEU 62 Ca 0.34 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1sg1 s LEU 62 Cb -0.14 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1sg1 s LEU 62 CO 0.14 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.49 1sg1 n GLY 63 N 0.48 3.61 0.15 -3.19 0.00 -1.26 -1.87 105.19 103.11 1sg1 n GLY 63 Ca -0.12 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1sg1 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sg1 n LEU 64 N 0.00 0.45 -4.77 0.99 4.77 -1.26 -4.84 117.00 112.34 1sg1 n LEU 64 Ca 0.00 -0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.41 1sg1 n LEU 64 Cb 0.00 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1sg1 n LEU 64 CO 0.00 0.09 0.40 -1.10 -1.33 0.00 0.00 177.39 175.45 1sg1 s GLN 65 N -1.96 4.43 0.09 3.23 -1.52 -0.78 -1.08 119.66 122.07 1sg1 s GLN 65 Ca 0.34 0.98 0.07 0.00 -1.95 0.00 0.00 55.36 54.80 1sg1 s GLN 65 Cb 0.16 -3.30 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 1sg1 s GLN 65 CO 0.27 0.46 -0.19 -1.54 -0.25 0.00 0.00 175.29 174.03 1sg1 s SER 66 N -0.63 2.33 0.12 5.90 1.04 0.21 -4.28 113.70 118.38 1sg1 s SER 66 Ca 0.35 -0.66 -0.31 0.00 0.48 0.00 0.00 55.95 55.81 1sg1 s SER 66 Cb -0.21 -0.12 -0.10 0.00 0.10 0.00 0.00 66.02 65.69 1sg1 s SER 66 CO 0.22 0.03 1.77 -0.32 0.98 0.00 0.00 173.24 175.93 1sg1 s MET 67 N -1.81 4.15 -0.03 4.02 1.75 -1.26 -0.73 119.30 125.40 1sg1 s MET 67 Ca 0.05 2.52 0.09 0.00 -1.25 0.00 0.00 55.69 57.10 1sg1 s MET 67 Cb -0.10 -3.54 -0.14 0.00 2.84 0.00 0.00 34.83 33.89 1sg1 s MET 67 CO 0.04 -0.80 0.18 0.45 -0.65 0.00 0.00 175.02 174.24 1sg1 n SER 68 N 5.47 2.79 -3.69 1.11 2.88 0.19 -4.84 113.62 117.53 1sg1 n SER 68 Ca 0.17 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.61 1sg1 n SER 68 Cb 0.38 1.33 -0.11 0.00 -0.75 0.00 0.00 64.21 65.06 1sg1 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sg1 s ALA 69 N -2.60 -1.02 0.51 -1.46 0.00 -0.59 -4.92 121.76 111.68 1sg1 s ALA 69 Ca -0.04 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 1sg1 s ALA 69 Cb 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 1sg1 s ALA 69 CO 0.40 -0.33 0.89 -1.25 0.00 0.00 0.00 175.76 175.47 1sg1 s PRO 70 N 1.55 3.70 -0.10 0.00 0.04 -1.26 -1.51 135.00 137.42 1sg1 s PRO 70 Ca -0.08 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 1sg1 s PRO 70 Cb -0.09 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1sg1 s PRO 70 CO -0.12 -0.28 1.08 0.00 0.04 0.00 0.00 177.00 177.71 1sg1 s VAL 72 N 2.24 2.85 0.44 0.00 1.01 -0.26 -3.01 120.40 123.67 1sg1 s VAL 72 Ca 0.51 -1.34 0.31 0.00 0.00 0.00 0.00 61.98 61.46 1sg1 s VAL 72 Cb -0.20 -3.04 0.34 0.00 0.00 0.00 0.00 36.38 33.48 1sg1 s VAL 72 CO 0.18 -0.04 2.14 -0.33 0.00 0.00 0.00 175.10 177.05 1sg1 h GLU 73 N 1.07 0.00 -0.25 2.72 5.08 -1.87 -2.80 114.58 118.53 1sg1 h GLU 73 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1sg1 h GLU 73 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1sg1 h GLU 73 CO 0.57 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 1sg1 n ALA 74 N -2.23 2.27 -3.55 3.43 0.00 -1.26 0.81 120.51 119.97 1sg1 n ALA 74 Ca -0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 1sg1 n ALA 74 Cb 0.20 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 1sg1 n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sg1 s ASP 75 N -0.98 -0.60 1.01 0.00 3.68 -1.05 -3.69 116.67 115.02 1sg1 s ASP 75 Ca 0.21 1.07 -0.12 0.00 2.13 0.00 0.00 52.55 55.83 1sg1 s ASP 75 Cb 0.11 1.01 0.19 0.00 -1.45 0.00 0.00 42.92 42.79 1sg1 s ASP 75 CO 0.15 -0.19 1.08 -0.62 0.13 0.00 0.00 175.17 175.72 1sg1 s ASP 76 N 0.90 2.52 0.53 -0.34 2.15 -1.26 -1.11 116.67 120.06 1sg1 s ASP 76 Ca -0.05 1.29 -0.05 0.00 0.43 0.00 0.00 52.55 54.18 1sg1 s ASP 76 Cb -0.05 -1.97 -0.01 0.00 -0.30 0.00 0.00 42.92 40.58 1sg1 s ASP 76 CO -0.07 -3.21 0.83 0.00 -0.17 0.00 0.00 175.17 172.54 1sg1 s ALA 77 N -2.89 3.41 -0.02 3.66 0.00 -1.26 -4.58 121.76 120.08 1sg1 s ALA 77 Ca 0.65 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.95 1sg1 s ALA 77 Cb -0.19 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1sg1 s ALA 77 CO 0.58 -0.60 -0.16 0.08 0.00 0.00 0.00 175.76 175.67 1sg1 s VAL 78 N -2.84 1.27 -0.02 0.00 1.01 -0.57 -4.72 120.40 114.53 1sg1 s VAL 78 Ca 0.51 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1sg1 s VAL 78 Cb -0.10 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1sg1 s VAL 78 CO 0.44 0.36 -0.22 0.00 0.00 0.00 0.00 175.10 175.68 1sg1 s ARG 80 N -0.45 1.12 0.28 0.00 0.52 0.09 -4.88 118.95 115.64 1sg1 s ARG 80 Ca 0.07 -1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 53.45 1sg1 s ARG 80 Cb -0.09 -0.40 -0.10 0.00 0.52 0.00 0.00 34.95 34.87 1sg1 s ARG 80 CO -0.00 -0.07 1.47 0.00 0.02 0.00 0.00 175.30 176.71 1sg1 n ALA 82 N 1.94 -4.58 -0.25 0.00 0.00 -0.24 -4.74 120.51 112.64 1sg1 n ALA 82 Ca 0.06 -1.16 -0.10 0.00 0.00 0.00 0.00 53.44 52.24 1sg1 n ALA 82 Cb 0.40 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 1sg1 n ALA 82 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1sg1 h TYR 83 N -1.57 -1.55 0.00 0.00 -0.00 -1.93 -1.70 116.97 110.23 1sg1 h TYR 83 Ca -0.47 0.10 0.00 0.00 -0.00 0.00 0.00 58.73 58.36 1sg1 h TYR 83 Cb 1.35 0.77 0.00 0.00 -0.00 0.00 0.00 36.73 38.85 1sg1 h TYR 83 CO 0.15 -0.43 0.00 0.41 -0.00 0.00 0.00 178.16 178.29 1sg1 n GLY 84 N -1.36 -0.63 3.40 1.82 0.00 -1.26 -4.83 105.19 102.32 1sg1 n GLY 84 Ca 0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1sg1 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sg1 s TYR 85 N -2.00 1.71 0.06 1.61 1.51 -0.64 -1.63 117.35 117.97 1sg1 s TYR 85 Ca 0.11 -1.27 -0.00 0.00 -1.01 0.00 0.00 57.07 54.89 1sg1 s TYR 85 Cb 0.05 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.85 1sg1 s TYR 85 CO 0.08 -0.37 -0.04 1.52 -1.11 0.00 0.00 175.55 175.64 1sg1 s TYR 86 N -3.45 0.61 -0.19 2.71 -0.85 -0.10 -4.52 117.35 111.56 1sg1 s TYR 86 Ca 0.33 -1.04 -0.19 0.00 -0.52 0.00 0.00 57.07 55.65 1sg1 s TYR 86 Cb 0.05 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.94 1sg1 s TYR 86 CO 0.16 -0.33 0.52 -1.14 -1.52 0.00 0.00 175.55 173.24 1sg1 s GLN 87 N -3.90 4.21 -0.08 -3.49 0.74 0.60 -0.90 119.66 116.84 1sg1 s GLN 87 Ca 0.08 0.43 -0.30 0.00 0.05 0.00 0.00 55.36 55.63 1sg1 s GLN 87 Cb 0.07 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 1sg1 s GLN 87 CO -0.09 -0.12 1.19 0.34 -0.55 0.00 0.00 175.29 176.07 1sg1 s ASP 88 N 1.09 7.05 0.16 6.67 -1.08 0.41 -4.50 116.67 126.47 1sg1 s ASP 88 Ca 0.25 1.77 -0.26 0.00 -0.52 0.00 0.00 52.55 53.78 1sg1 s ASP 88 Cb -0.15 -2.56 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 1sg1 s ASP 88 CO 0.10 -0.60 1.58 -0.33 0.52 0.00 0.00 175.17 176.44 1sg1 h GLU 89 N 7.52 -0.30 0.00 4.34 4.39 -1.88 0.75 114.58 129.39 1sg1 h GLU 89 Ca -0.33 0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.21 1sg1 h GLU 89 Cb 1.15 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.84 1sg1 h GLU 89 CO 0.89 -0.20 -1.06 0.93 -1.16 0.00 0.00 179.01 178.41 1sg1 h GLU 90 N -0.31 0.00 0.00 2.33 5.08 -1.98 -3.35 114.58 116.34 1sg1 h GLU 90 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 1sg1 h GLU 90 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1sg1 h GLU 90 CO -0.57 0.59 -1.55 1.15 -1.00 0.00 0.00 179.01 177.62 1sg1 h THR 91 N 0.00 0.99 0.00 1.13 2.02 -1.96 -3.47 112.91 111.61 1sg1 h THR 91 Ca -0.09 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.29 1sg1 h THR 91 Cb 1.64 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 70.53 1sg1 h THR 91 CO 0.08 0.56 0.00 0.61 0.37 0.00 0.00 175.52 177.14 1sg1 n GLY 92 N 1.51 0.40 3.87 2.16 0.00 0.26 -4.99 105.19 108.39 1sg1 n GLY 92 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1sg1 n GLY 92 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1sg1 s HIS 93 N -1.97 3.48 -0.16 1.61 5.04 -1.24 -4.76 115.29 117.28 1sg1 s HIS 93 Ca 0.00 0.82 -0.25 0.00 -1.54 0.00 0.00 55.06 54.09 1sg1 s HIS 93 Cb 0.00 -2.20 -0.02 0.00 0.04 0.00 0.00 32.58 30.40 1sg1 s HIS 93 CO 0.00 0.36 0.81 0.00 -2.34 0.00 0.00 174.74 173.56 1sg1 s GLU 95 N 1.97 2.37 0.29 0.00 2.56 -0.08 -4.92 118.70 120.89 1sg1 s GLU 95 Ca 0.38 -0.80 -0.29 0.00 0.00 0.00 0.00 54.97 54.25 1sg1 s GLU 95 Cb -0.17 -2.35 -0.10 0.00 2.00 0.00 0.00 34.13 33.52 1sg1 s GLU 95 CO 0.13 0.59 1.37 0.00 -0.56 0.00 0.00 175.26 176.79 1sg1 s ALA 96 N -0.87 3.56 0.59 6.30 0.00 -1.26 -0.92 121.76 129.15 1sg1 s ALA 96 Ca 0.14 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.21 1sg1 s ALA 96 Cb -0.11 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1sg1 s ALA 96 CO 0.04 -0.70 0.90 0.00 0.00 0.00 0.00 175.76 176.01 1sg1 s SER 98 N -1.22 6.18 0.00 0.00 0.01 -1.26 -4.98 113.70 112.42 1sg1 s SER 98 Ca 0.74 1.49 0.06 0.00 1.31 0.00 0.00 55.95 59.56 1sg1 s SER 98 Cb -0.42 -2.48 -0.03 0.00 0.21 0.00 0.00 66.02 63.29 1sg1 s SER 98 CO 0.48 -0.90 -0.17 0.68 0.41 0.00 0.00 173.24 173.74 1sg1 s VAL 99 N -3.02 2.83 -0.58 3.43 -7.23 -1.26 -4.59 120.40 109.97 1sg1 s VAL 99 Ca 0.57 -1.00 -0.24 0.00 -1.81 0.00 0.00 61.98 59.50 1sg1 s VAL 99 Cb -0.11 -2.14 0.05 0.00 0.56 0.00 0.00 36.38 34.73 1sg1 s VAL 99 CO 0.49 0.46 0.94 0.00 -0.31 0.00 0.00 175.10 176.68 1sg1 n GLU 101 N 7.51 -3.07 -1.77 0.00 -0.58 -1.26 -2.81 120.64 118.66 1sg1 n GLU 101 Ca 0.00 -0.89 -0.41 0.00 -0.42 0.00 0.00 57.16 55.44 1sg1 n GLU 101 Cb 0.47 -2.00 -0.00 0.00 -0.57 0.00 0.00 31.44 29.34 1sg1 n GLU 101 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sg1 s VAL 102 N -2.28 2.00 0.00 2.62 1.01 -1.25 -0.95 120.40 121.56 1sg1 s VAL 102 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1sg1 s VAL 102 Cb -0.20 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1sg1 s VAL 102 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1sg1 n GLY 103 N 0.95 0.71 2.91 4.51 0.00 -0.92 -4.89 105.19 108.45 1sg1 n GLY 103 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1sg1 n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sg1 s SER 104 N -2.30 0.10 0.09 1.61 0.15 -0.12 -2.59 113.70 110.65 1sg1 s SER 104 Ca 0.00 -0.15 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1sg1 s SER 104 Cb 0.00 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1sg1 s SER 104 CO 0.00 -0.08 -0.08 -0.83 1.20 0.00 0.00 173.24 173.44 1sg1 s GLY 105 N -0.43 0.79 0.25 9.45 0.00 0.58 -4.36 107.32 113.59 1sg1 s GLY 105 Ca -0.05 -1.23 -0.31 0.00 0.00 0.00 0.00 44.72 43.14 1sg1 s GLY 105 CO -0.00 -1.31 1.32 -0.10 0.00 0.00 0.00 173.10 173.01 1sg1 n LEU 106 N 0.36 2.88 0.01 0.66 7.94 -0.33 -0.46 117.00 128.07 1sg1 n LEU 106 Ca -0.15 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 1sg1 n LEU 106 Cb 0.59 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1sg1 n LEU 106 CO 0.28 -0.67 -0.34 0.52 -1.11 0.00 0.00 177.39 176.07 1sg1 n VAL 107 N 1.43 0.19 -4.20 1.96 0.31 -0.28 -4.58 118.33 113.16 1sg1 n VAL 107 Ca 0.11 0.06 -0.25 0.00 -0.01 0.00 0.00 64.34 64.25 1sg1 n VAL 107 Cb 0.31 -1.35 -0.17 0.00 -0.91 0.00 0.00 33.84 31.73 1sg1 n VAL 107 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1sg1 s PHE 108 N -2.00 1.39 0.60 3.52 2.99 -0.88 -5.00 117.98 118.60 1sg1 s PHE 108 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 56.93 56.13 1sg1 s PHE 108 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 43.02 41.88 1sg1 s PHE 108 CO 0.00 -0.38 1.34 0.43 -0.00 0.00 0.00 175.22 176.60 1sg1 n SER 109 N 4.41 2.42 -4.46 1.36 7.64 -1.26 -1.59 113.62 122.14 1sg1 n SER 109 Ca -0.18 0.91 -0.43 0.00 1.01 0.00 0.00 58.87 60.18 1sg1 n SER 109 Cb 0.51 -1.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.09 1sg1 n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sg1 s GLN 111 N 3.78 0.24 0.00 0.00 -0.21 -0.53 -4.89 119.66 118.05 1sg1 s GLN 111 Ca 0.22 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1sg1 s GLN 111 Cb -0.17 -0.23 0.00 0.00 1.00 0.00 0.00 33.01 33.61 1sg1 s GLN 111 CO 0.12 0.06 0.00 -0.40 -2.12 0.00 0.00 175.29 172.95 1sg1 n ASP 112 N 2.99 0.00 -0.01 5.90 5.75 -1.26 0.56 116.55 130.48 1sg1 n ASP 112 Ca -0.13 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.80 1sg1 n ASP 112 Cb 0.59 0.00 0.70 0.00 -1.03 0.00 0.00 41.12 41.38 1sg1 n ASP 112 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1sg1 n LYS 113 N 0.00 0.32 -3.62 0.11 -0.00 -1.26 0.22 118.16 113.93 1sg1 n LYS 113 Ca 0.00 -0.01 -0.39 0.00 -0.00 0.00 0.00 58.31 57.91 1sg1 n LYS 113 Cb 0.00 -1.50 -0.11 0.00 -0.00 0.00 0.00 35.03 33.42 1sg1 n LYS 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1sg1 s GLN 114 N -2.69 3.55 0.40 -1.58 2.00 0.19 -4.68 119.66 116.85 1sg1 s GLN 114 Ca 0.24 -0.58 -0.13 0.00 -2.00 0.00 0.00 55.36 52.89 1sg1 s GLN 114 Cb 0.20 -3.61 -0.08 0.00 0.80 0.00 0.00 33.01 30.32 1sg1 s GLN 114 CO 0.49 -0.34 0.80 1.21 -0.50 0.00 0.00 175.29 176.95 1sg1 s ASN 115 N 1.67 6.64 -0.04 6.67 2.47 -1.26 -1.45 114.94 129.64 1sg1 s ASN 115 Ca 0.06 1.28 -0.39 0.00 0.42 0.00 0.00 52.86 54.23 1sg1 s ASN 115 Cb -0.17 -2.38 -0.17 0.00 -1.45 0.00 0.00 41.25 37.08 1sg1 s ASN 115 CO 0.08 -0.36 1.38 0.41 -3.72 0.00 0.00 177.10 174.89 1sg1 n THR 116 N -1.00 0.06 -3.53 -5.21 -1.04 -1.26 -4.70 114.28 97.60 1sg1 n THR 116 Ca 0.04 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 1sg1 n THR 116 Cb 0.54 -0.70 -0.10 0.00 -1.82 0.00 0.00 70.33 68.24 1sg1 n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1sg1 s VAL 117 N 1.14 4.87 0.62 12.58 1.01 -0.62 -4.75 120.40 135.26 1sg1 s VAL 117 Ca 0.90 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1sg1 s VAL 117 Cb -1.08 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 31.64 1sg1 s VAL 117 CO 0.55 -0.30 0.86 0.00 0.00 0.00 0.00 175.10 176.21 1sg1 s GLU 119 N -4.89 0.35 -0.03 0.00 2.12 0.39 -4.77 118.70 111.87 1sg1 s GLU 119 Ca 0.62 0.50 -0.30 0.00 0.36 0.00 0.00 54.97 56.15 1sg1 s GLU 119 Cb -0.07 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.39 1sg1 s GLU 119 CO 0.41 -0.08 1.10 -2.00 -0.54 0.00 0.00 175.26 174.14 1sg1 s GLU 120 N 0.51 4.44 0.10 4.30 2.56 -1.26 0.21 118.70 129.56 1sg1 s GLU 120 Ca -0.03 1.56 -0.34 0.00 0.00 0.00 0.00 54.97 56.16 1sg1 s GLU 120 Cb -0.04 -3.49 -0.13 0.00 2.00 0.00 0.00 34.13 32.46 1sg1 s GLU 120 CO -0.03 -0.28 1.64 0.00 -0.56 0.00 0.00 175.26 176.04 1sg1 s PRO 122 N 1.61 -0.14 0.12 0.00 0.04 -1.26 -4.88 135.00 130.49 1sg1 s PRO 122 Ca 0.82 -0.09 -0.34 0.00 0.04 0.00 0.00 61.00 61.43 1sg1 s PRO 122 Cb -0.69 -1.73 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 1sg1 s PRO 122 CO 0.41 -2.99 1.64 -1.91 0.04 0.00 0.00 177.00 174.19 1sg1 n GLU 123 N -4.24 2.17 -0.34 4.56 4.07 -1.26 -2.01 120.64 123.58 1sg1 n GLU 123 Ca 0.12 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 58.01 1sg1 n GLU 123 Cb 0.59 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.40 1sg1 n GLU 123 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sg1 n GLY 124 N 3.61 0.69 3.28 8.31 0.00 -1.26 -5.06 105.19 114.75 1sg1 n GLY 124 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1sg1 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sg1 s THR 125 N -2.62 0.60 0.26 2.61 -4.23 -0.85 -1.70 115.64 109.72 1sg1 s THR 125 Ca 0.00 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.45 1sg1 s THR 125 Cb 0.00 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1sg1 s THR 125 CO 0.00 -0.21 0.39 -0.72 -0.54 0.00 0.00 174.62 173.53 1sg1 s TYR 126 N -3.72 0.76 -0.12 3.99 1.13 -0.26 -4.35 117.35 114.78 1sg1 s TYR 126 Ca 0.32 -1.05 -0.04 0.00 -1.41 0.00 0.00 57.07 54.89 1sg1 s TYR 126 Cb 0.07 -0.08 0.06 0.00 -1.10 0.00 0.00 41.96 40.91 1sg1 s TYR 126 CO 0.09 -0.94 0.15 0.45 -2.51 0.00 0.00 175.55 172.79 1sg1 s SER 127 N -3.11 1.20 0.19 -0.18 0.15 -0.92 0.09 113.70 111.12 1sg1 s SER 127 Ca 0.29 0.02 0.09 0.00 0.70 0.00 0.00 55.95 57.05 1sg1 s SER 127 Cb 0.01 0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1sg1 s SER 127 CO 0.13 -0.28 1.42 -0.78 1.20 0.00 0.00 173.24 174.93 1sg1 h ASP 128 N 8.37 0.00 -3.42 5.45 1.82 -1.88 -2.45 116.42 124.31 1sg1 h ASP 128 Ca -0.14 0.00 -0.48 0.00 -0.39 0.00 0.00 57.03 56.02 1sg1 h ASP 128 Cb 1.13 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.00 1sg1 h ASP 128 CO 0.20 0.83 -0.58 -1.61 -1.61 0.00 0.00 179.24 176.47 1sg1 s GLU 129 N -3.08 1.70 -0.38 0.28 2.02 -1.26 -4.88 118.70 113.11 1sg1 s GLU 129 Ca 0.00 -1.98 -0.09 0.00 0.02 0.00 0.00 54.97 52.92 1sg1 s GLU 129 Cb 0.11 -0.68 0.05 0.00 0.10 0.00 0.00 34.13 33.71 1sg1 s GLU 129 CO 0.79 -0.30 0.20 0.00 0.02 0.00 0.00 175.26 175.97 1sg1 s ALA 130 N -3.35 3.22 0.06 5.21 0.00 -1.26 -3.79 121.76 121.85 1sg1 s ALA 130 Ca 0.32 -1.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.34 1sg1 s ALA 130 Cb 0.07 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.68 1sg1 s ALA 130 CO 0.15 -1.47 0.32 0.27 0.00 0.00 0.00 175.76 175.03 1sg1 n ASN 131 N 4.92 -0.55 -1.99 0.00 0.23 -1.12 -4.92 115.26 111.83 1sg1 n ASN 131 Ca -0.11 -1.29 -0.15 0.00 -0.53 0.00 0.00 54.58 52.49 1sg1 n ASN 131 Cb 0.45 0.89 0.05 0.00 -2.08 0.00 0.00 39.78 39.08 1sg1 n ASN 131 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sg1 n HIS 132 N -0.23 2.08 0.00 -2.53 1.44 -1.26 -0.32 115.22 114.41 1sg1 n HIS 132 Ca -0.01 -2.07 0.00 0.00 -2.01 0.00 0.00 57.72 53.63 1sg1 n HIS 132 Cb 0.18 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 29.99 1sg1 n HIS 132 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1sg1 n VAL 133 N -0.70 0.00 -3.16 0.61 0.24 -1.26 -4.62 118.33 109.44 1sg1 n VAL 133 Ca 0.33 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.23 1sg1 n VAL 133 Cb 0.91 -0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 1sg1 n VAL 133 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1sg1 s ASP 134 N -0.74 6.61 0.57 -1.34 1.01 -1.26 -4.88 116.67 116.63 1sg1 s ASP 134 Ca 0.00 0.73 -0.06 0.00 0.71 0.00 0.00 52.55 53.94 1sg1 s ASP 134 Cb 0.00 -2.32 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1sg1 s ASP 134 CO 0.00 -0.27 0.88 -2.16 0.21 0.00 0.00 175.17 173.83 1sg1 s PRO 135 N 2.00 3.07 0.30 8.23 0.04 -1.26 -1.18 135.00 146.19 1sg1 s PRO 135 Ca 0.26 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.07 1sg1 s PRO 135 Cb -0.16 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1sg1 s PRO 135 CO 0.10 -0.60 1.34 0.00 0.04 0.00 0.00 177.00 177.88 1sg1 s LEU 137 N -1.26 3.81 0.09 0.00 1.43 0.11 -4.81 118.68 118.06 1sg1 s LEU 137 Ca 0.52 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.17 1sg1 s LEU 137 Cb -0.40 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.36 1sg1 s LEU 137 CO 0.49 0.04 1.16 -2.16 0.23 0.00 0.00 176.35 176.12 1sg1 s PRO 138 N -3.28 4.48 0.58 1.29 0.04 -1.26 -1.10 135.00 135.74 1sg1 s PRO 138 Ca 0.31 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 1sg1 s PRO 138 Cb -0.10 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1sg1 s PRO 138 CO 0.24 -0.16 1.20 0.00 0.04 0.00 0.00 177.00 178.31 1sg1 s THR 140 N -1.38 4.47 -0.40 0.00 2.01 -1.26 -5.02 115.64 114.05 1sg1 s THR 140 Ca 0.75 2.06 -0.12 0.00 0.31 0.00 0.00 61.69 64.69 1sg1 s THR 140 Cb -0.42 -4.32 0.04 0.00 0.01 0.00 0.00 72.50 67.82 1sg1 s THR 140 CO 0.47 0.32 0.26 -0.69 -0.69 0.00 0.00 174.62 174.29 1sg1 s VAL 141 N -0.04 4.79 0.49 3.82 1.01 -1.26 -4.56 120.40 124.64 1sg1 s VAL 141 Ca 0.47 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 61.30 1sg1 s VAL 141 Cb -0.24 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1sg1 s VAL 141 CO 0.30 -0.34 1.39 0.00 0.00 0.00 0.00 175.10 176.45 1sg1 s GLU 143 N -2.62 3.21 0.62 0.00 0.41 -1.26 -4.88 118.70 114.18 1sg1 s GLU 143 Ca 0.65 1.49 0.31 0.00 -0.41 0.00 0.00 54.97 57.01 1sg1 s GLU 143 Cb -0.42 -2.00 1.72 0.00 -1.78 0.00 0.00 34.13 31.66 1sg1 s GLU 143 CO 0.52 -0.94 2.05 -0.44 -0.49 0.00 0.00 175.26 175.96 1sg1 h ASP 144 N 0.80 0.00 0.55 -0.19 3.32 -2.04 0.59 116.42 119.46 1sg1 h ASP 144 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1sg1 h ASP 144 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1sg1 h ASP 144 CO 0.56 0.00 -1.14 0.41 -1.72 0.00 0.00 179.24 177.35 1sg1 n THR 145 N -3.43 0.28 -3.35 0.35 -1.04 -1.26 -4.93 114.28 100.90 1sg1 n THR 145 Ca 0.01 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.05 61.28 1sg1 n THR 145 Cb 0.37 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.82 1sg1 n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1sg1 s GLU 146 N -3.29 4.04 -0.45 -2.82 2.02 0.21 -5.04 118.70 113.37 1sg1 s GLU 146 Ca 0.01 0.55 -0.28 0.00 0.02 0.00 0.00 54.97 55.27 1sg1 s GLU 146 Cb 0.13 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.32 1sg1 s GLU 146 CO 0.81 0.56 1.08 0.50 0.02 0.00 0.00 175.26 178.22 1sg1 s ARG 147 N -1.58 3.75 -0.92 1.61 3.52 -1.26 -4.60 118.95 119.47 1sg1 s ARG 147 Ca 0.33 0.57 -0.24 0.00 -0.13 0.00 0.00 55.73 56.25 1sg1 s ARG 147 Cb -0.17 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.31 1sg1 s ARG 147 CO 0.18 -1.26 1.90 -1.14 -0.81 0.00 0.00 175.30 174.18 1sg1 s GLN 148 N 4.15 2.65 0.23 5.12 0.74 -1.26 -4.06 119.66 127.24 1sg1 s GLN 148 Ca 0.45 -0.39 -0.06 0.00 0.05 0.00 0.00 55.36 55.41 1sg1 s GLN 148 Cb -0.09 -5.10 0.23 0.00 1.10 0.00 0.00 33.01 29.15 1sg1 s GLN 148 CO 0.28 -3.28 1.79 -0.07 -0.55 0.00 0.00 175.29 173.45 1sg1 h LEU 149 N 17.38 1.01 -7.54 3.68 3.38 -1.83 -3.43 115.31 127.96 1sg1 h LEU 149 Ca 0.11 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 1sg1 h LEU 149 Cb 1.00 -0.26 -0.29 0.00 0.09 0.00 0.00 40.66 41.20 1sg1 h LEU 149 CO 1.23 0.92 -0.58 -0.60 0.09 0.00 0.00 178.44 179.50 1sg1 s ARG 150 N -5.44 0.13 0.46 1.13 3.52 -1.25 -4.97 118.95 112.53 1sg1 s ARG 150 Ca -0.12 0.24 -0.04 0.00 -0.13 0.00 0.00 55.73 55.68 1sg1 s ARG 150 Cb 0.16 -0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 1sg1 s ARG 150 CO 0.83 -0.07 0.75 -1.83 -0.81 0.00 0.00 175.30 174.17 1sg1 s GLU 151 N 0.45 3.50 -0.07 5.12 -1.05 -1.26 -1.13 118.70 124.26 1sg1 s GLU 151 Ca -0.03 0.10 -0.30 0.00 -0.15 0.00 0.00 54.97 54.59 1sg1 s GLU 151 Cb -0.05 -2.42 -0.03 0.00 -0.44 0.00 0.00 34.13 31.20 1sg1 s GLU 151 CO -0.02 -0.17 1.15 0.00 0.95 0.00 0.00 175.26 177.17 1sg1 s THR 153 N 2.21 1.86 -0.76 0.00 -4.23 -0.59 -4.94 115.64 109.17 1sg1 s THR 153 Ca 0.54 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1sg1 s THR 153 Cb -0.23 -2.92 0.08 0.00 1.34 0.00 0.00 72.50 70.76 1sg1 s THR 153 CO 0.21 0.00 1.24 -0.81 -0.54 0.00 0.00 174.62 174.71 1sg1 n PRO 154 N -0.96 0.04 0.00 3.99 -0.04 -1.26 -2.84 135.00 133.94 1sg1 n PRO 154 Ca -0.06 0.52 0.03 0.00 -0.04 0.00 0.00 63.50 63.95 1sg1 n PRO 154 Cb 0.67 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1sg1 n PRO 154 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sg1 n TRP 155 N -1.73 0.00 -3.76 0.54 2.14 -1.26 -2.16 117.44 111.21 1sg1 n TRP 155 Ca -0.00 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.44 1sg1 n TRP 155 Cb 0.03 0.00 -0.12 0.00 -0.81 0.00 0.00 31.31 30.41 1sg1 n TRP 155 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1sg1 s ALA 156 N -1.39 -0.58 0.75 -1.67 0.00 -1.13 -4.23 121.76 113.50 1sg1 s ALA 156 Ca 0.03 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1sg1 s ALA 156 Cb 0.04 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1sg1 s ALA 156 CO 0.21 -0.16 1.08 0.34 0.00 0.00 0.00 175.76 177.23 1sg1 s ASP 157 N 0.72 4.80 0.76 0.00 2.15 -1.26 -1.55 116.67 122.29 1sg1 s ASP 157 Ca -0.05 1.76 -0.13 0.00 0.43 0.00 0.00 52.55 54.56 1sg1 s ASP 157 Cb -0.06 -2.51 0.05 0.00 -0.30 0.00 0.00 42.92 40.10 1sg1 s ASP 157 CO -0.04 -1.84 1.13 0.00 -0.17 0.00 0.00 175.17 174.25 1sg1 s ALA 158 N -2.95 2.13 0.09 3.66 0.00 -1.26 -4.63 121.76 118.81 1sg1 s ALA 158 Ca 0.60 0.54 0.09 0.00 0.00 0.00 0.00 51.96 53.19 1sg1 s ALA 158 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1sg1 s ALA 158 CO 0.56 -1.85 -0.23 -1.21 0.00 0.00 0.00 175.76 173.03 1sg1 s GLU 159 N -4.41 1.31 0.04 0.00 2.02 -0.29 -4.82 118.70 112.55 1sg1 s GLU 159 Ca 0.67 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1sg1 s GLU 159 Cb -0.22 -1.60 -0.00 0.00 0.10 0.00 0.00 34.13 32.41 1sg1 s GLU 159 CO 0.50 0.39 0.04 0.00 0.02 0.00 0.00 175.26 176.20