#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij2 n THR 3 N 0.00 0.16 -2.67 3.84 -1.04 -1.26 -4.91 114.28 108.40 3ij2 n THR 3 Ca 0.00 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 3ij2 n THR 3 Cb 0.00 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 66.98 3ij2 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ij2 h SER 5 N 7.34 0.83 -0.42 0.00 0.02 -1.91 -3.35 113.55 116.05 3ij2 h SER 5 Ca -0.23 -0.77 -0.00 0.00 -0.84 0.00 0.00 61.79 59.95 3ij2 h SER 5 Cb 1.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 3ij2 h SER 5 CO 0.94 1.50 0.26 0.74 -1.14 0.00 0.00 176.83 179.12 3ij2 h THR 6 N 0.26 1.13 0.00 -2.27 2.02 -1.91 -3.47 112.91 108.68 3ij2 h THR 6 Ca -0.13 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3ij2 h THR 6 Cb 1.68 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3ij2 h THR 6 CO 0.20 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.83 3ij2 n GLY 7 N -1.10 0.89 3.66 2.16 0.00 -1.26 -4.96 105.19 104.57 3ij2 n GLY 7 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3ij2 n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ij2 s LEU 8 N 0.00 3.43 0.01 0.99 1.43 -1.26 -5.07 118.68 118.20 3ij2 s LEU 8 Ca 0.00 -0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3ij2 s LEU 8 Cb 0.00 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3ij2 s LEU 8 CO 0.00 0.29 -0.22 -0.31 0.23 0.00 0.00 176.35 176.34 3ij2 s TYR 9 N -1.05 1.95 0.84 0.29 2.02 -1.26 -1.58 117.35 118.56 3ij2 s TYR 9 Ca 0.18 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.40 3ij2 s TYR 9 Cb -0.11 -1.22 0.10 0.00 -0.40 0.00 0.00 41.96 40.33 3ij2 s TYR 9 CO 0.09 0.03 1.13 -0.08 -1.57 0.00 0.00 175.55 175.15 3ij2 s THR 10 N -0.64 2.57 0.22 -0.71 -1.32 0.27 -4.85 115.64 111.19 3ij2 s THR 10 Ca 0.09 0.20 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 3ij2 s THR 10 Cb -0.09 -2.45 0.19 0.00 -1.51 0.00 0.00 72.50 68.64 3ij2 s THR 10 CO 0.00 -0.23 1.71 0.45 -2.21 0.00 0.00 174.62 174.34 3ij2 h HIS 11 N -1.40 0.29 0.00 9.09 3.86 -1.75 0.26 115.15 125.51 3ij2 h HIS 11 Ca -0.44 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3ij2 h HIS 11 Cb 1.26 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.70 3ij2 h HIS 11 CO 0.53 -0.01 0.05 -1.13 0.86 0.00 0.00 177.93 178.22 3ij2 n SER 12 N -5.10 0.00 0.00 2.45 3.41 -1.26 -4.77 113.62 108.35 3ij2 n SER 12 Ca 0.11 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3ij2 n SER 12 Cb 0.37 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3ij2 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ij2 n GLY 13 N -1.02 3.11 3.59 5.00 0.00 0.08 -5.07 105.19 110.88 3ij2 n GLY 13 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3ij2 n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij2 s GLU 14 N -0.33 0.08 0.24 1.61 2.02 -1.25 -4.53 118.70 116.53 3ij2 s GLU 14 Ca 0.00 1.02 -0.23 0.00 0.02 0.00 0.00 54.97 55.78 3ij2 s GLU 14 Cb 0.00 -1.66 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 3ij2 s GLU 14 CO 0.00 -3.10 0.80 0.00 0.02 0.00 0.00 175.26 172.98 3ij2 s LYS 17 N -0.66 4.20 0.61 0.00 1.02 -1.26 -4.62 119.74 119.03 3ij2 s LYS 17 Ca 0.32 1.69 -0.14 0.00 0.02 0.00 0.00 55.97 57.86 3ij2 s LYS 17 Cb -0.20 -3.80 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3ij2 s LYS 17 CO 0.20 -0.76 1.05 0.00 -0.92 0.00 0.00 175.35 174.92 3ij2 s ALA 18 N 3.64 2.79 -0.30 5.17 0.00 -1.26 -4.46 121.76 127.34 3ij2 s ALA 18 Ca 0.57 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 3ij2 s ALA 18 Cb -0.23 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 3ij2 s ALA 18 CO 0.17 -0.83 0.16 0.00 0.00 0.00 0.00 175.76 175.26 3ij2 n ASN 20 N 5.01 -0.73 -4.70 0.00 2.04 -1.26 -1.28 115.26 114.34 3ij2 n ASN 20 Ca -0.14 -0.49 -0.42 0.00 -0.44 0.00 0.00 54.58 53.09 3ij2 n ASN 20 Cb 0.50 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.72 3ij2 n ASN 20 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3ij2 s LEU 21 N 0.00 4.37 0.00 -4.53 2.01 -1.22 -1.47 118.68 117.85 3ij2 s LEU 21 Ca 0.00 2.62 0.00 0.00 0.01 0.00 0.00 54.13 56.76 3ij2 s LEU 21 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 46.19 42.62 3ij2 s LEU 21 CO 0.00 -0.89 0.00 0.61 1.01 0.00 0.00 176.35 177.08 3ij2 n GLY 22 N 3.93 1.06 3.05 -3.19 0.00 0.21 -4.77 105.19 105.47 3ij2 n GLY 22 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3ij2 n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ij2 s GLU 23 N -0.43 2.19 0.35 1.61 2.02 -0.54 0.47 118.70 124.37 3ij2 s GLU 23 Ca 0.00 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.52 3ij2 s GLU 23 Cb 0.00 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 3ij2 s GLU 23 CO 0.00 -0.07 0.10 0.20 0.02 0.00 0.00 175.26 175.51 3ij2 s GLY 24 N 1.01 2.06 0.04 -1.39 0.00 -1.07 -4.00 107.32 103.97 3ij2 s GLY 24 Ca -0.06 -1.93 -0.30 0.00 0.00 0.00 0.00 44.72 42.43 3ij2 s GLY 24 CO -0.02 -1.84 1.34 0.14 0.00 0.00 0.00 173.10 172.72 3ij2 s VAL 25 N -2.49 3.73 -0.23 1.40 1.01 -0.53 -2.71 120.40 120.58 3ij2 s VAL 25 Ca 0.37 1.18 -0.16 0.00 0.00 0.00 0.00 61.98 63.37 3ij2 s VAL 25 Cb -0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 3ij2 s VAL 25 CO 0.21 0.04 -0.26 0.00 0.00 0.00 0.00 175.10 175.10 3ij2 n ALA 26 N 4.67 0.98 -3.73 5.51 0.00 0.65 -4.55 120.51 124.03 3ij2 n ALA 26 Ca 0.12 -0.87 -0.23 0.00 0.00 0.00 0.00 53.44 52.45 3ij2 n ALA 26 Cb 0.44 -0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.71 3ij2 n ALA 26 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ij2 s GLN 27 N -2.58 0.43 0.94 0.00 2.00 -1.19 -4.98 119.66 114.28 3ij2 s GLN 27 Ca -0.32 0.08 -0.12 0.00 -2.00 0.00 0.00 55.36 53.00 3ij2 s GLN 27 Cb 0.09 -1.10 0.08 0.00 0.80 0.00 0.00 33.01 32.89 3ij2 s GLN 27 CO 0.46 -0.38 0.67 -0.35 -0.50 0.00 0.00 175.29 175.19 3ij2 n PRO 28 N 5.18 -0.40 -2.03 1.67 -0.04 -1.26 -1.56 135.00 136.56 3ij2 n PRO 28 Ca -0.06 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 3ij2 n PRO 28 Cb 0.50 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 3ij2 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ij2 n GLY 30 N 4.15 1.11 0.37 0.00 0.00 -1.26 -4.41 105.19 105.16 3ij2 n GLY 30 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 3ij2 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij2 h ALA 31 N -2.00 -0.34 -3.49 4.61 0.00 -1.99 -3.02 119.26 113.04 3ij2 h ALA 31 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ij2 h ALA 31 Cb 0.00 0.83 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ij2 h ALA 31 CO 0.00 -0.81 0.00 -0.25 0.00 0.00 0.00 179.25 178.19 3ij2 n ASP 32 N -5.42 1.32 -4.22 0.00 8.00 -1.26 -4.48 116.55 110.50 3ij2 n ASP 32 Ca 0.00 -0.49 -0.29 0.00 0.71 0.00 0.00 54.79 54.72 3ij2 n ASP 32 Cb 0.35 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.65 3ij2 n ASP 32 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ij2 s GLN 33 N -0.12 -0.20 0.39 -1.24 -1.52 -1.26 -4.27 119.66 111.44 3ij2 s GLN 33 Ca 0.00 0.06 -0.26 0.00 -1.95 0.00 0.00 55.36 53.21 3ij2 s GLN 33 Cb 0.00 -1.70 -0.09 0.00 -0.22 0.00 0.00 33.01 31.00 3ij2 s GLN 33 CO 0.00 -3.06 1.17 0.99 -0.25 0.00 0.00 175.29 174.15 3ij2 s THR 34 N -3.18 3.15 -0.28 -0.19 2.01 -1.26 -4.24 115.64 111.65 3ij2 s THR 34 Ca 0.69 0.99 -0.06 0.00 0.31 0.00 0.00 61.69 63.62 3ij2 s THR 34 Cb -0.12 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.84 3ij2 s THR 34 CO 0.55 0.11 0.05 0.54 -0.69 0.00 0.00 174.62 175.18 3ij2 s VAL 35 N -1.38 3.72 0.03 3.82 0.11 -0.60 -4.90 120.40 121.19 3ij2 s VAL 35 Ca 0.56 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 3ij2 s VAL 35 Cb -0.31 -2.91 -0.05 0.00 -1.53 0.00 0.00 36.38 31.58 3ij2 s VAL 35 CO 0.40 0.11 0.36 0.00 -3.33 0.00 0.00 175.10 172.64 3ij2 s GLU 37 N -1.60 0.65 0.56 0.00 4.04 -1.10 -4.91 118.70 116.34 3ij2 s GLU 37 Ca 0.28 -0.19 -0.21 0.00 0.04 0.00 0.00 54.97 54.89 3ij2 s GLU 37 Cb -0.14 -0.65 -0.05 0.00 0.02 0.00 0.00 34.13 33.31 3ij2 s GLU 37 CO 0.15 0.06 1.15 -2.30 -1.84 0.00 0.00 175.26 172.48 3ij2 n PRO 38 N 3.33 1.29 -1.64 -4.83 -0.02 -1.26 -2.58 135.00 129.29 3ij2 n PRO 38 Ca -0.18 0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 3ij2 n PRO 38 Cb 0.55 -2.33 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 3ij2 n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ij2 s LEU 40 N -5.55 4.52 0.27 0.00 2.96 -1.26 -4.90 118.68 114.73 3ij2 s LEU 40 Ca 0.59 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.68 3ij2 s LEU 40 Cb -0.13 -3.18 -0.09 0.00 0.50 0.00 0.00 46.19 43.28 3ij2 s LEU 40 CO 0.54 0.15 1.11 -0.62 -1.32 0.00 0.00 176.35 176.21 3ij2 s ASP 41 N -0.72 7.25 0.00 3.68 -1.08 -1.26 -0.44 116.67 124.10 3ij2 s ASP 41 Ca 0.35 2.27 0.00 0.00 -0.52 0.00 0.00 52.55 54.65 3ij2 s ASP 41 Cb -0.21 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.62 3ij2 s ASP 41 CO 0.23 -0.16 0.00 -1.20 0.52 0.00 0.00 175.17 174.56 3ij2 n SER 42 N 1.26 -2.49 0.04 -0.34 7.64 -1.12 -4.65 113.62 113.96 3ij2 n SER 42 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3ij2 n SER 42 Cb 0.45 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 3ij2 n SER 42 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ij2 n VAL 43 N -2.32 0.08 -4.49 0.44 0.31 -1.15 -4.83 118.33 106.37 3ij2 n VAL 43 Ca 0.00 0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 3ij2 n VAL 43 Cb 0.13 -0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 32.25 3ij2 n VAL 43 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3ij2 s THR 44 N -2.00 0.98 -0.29 2.52 -4.23 0.41 0.75 115.64 113.78 3ij2 s THR 44 Ca 0.00 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.29 3ij2 s THR 44 Cb 0.00 -2.60 0.14 0.00 1.34 0.00 0.00 72.50 71.38 3ij2 s THR 44 CO 0.00 0.00 1.05 0.72 -0.54 0.00 0.00 174.62 175.85 3ij2 s PHE 45 N -3.25 -0.46 -0.45 3.99 -0.12 -0.31 -4.04 117.98 113.34 3ij2 s PHE 45 Ca 0.30 1.04 -0.09 0.00 -0.05 0.00 0.00 56.93 58.14 3ij2 s PHE 45 Cb 0.06 0.36 0.10 0.00 -0.63 0.00 0.00 43.02 42.92 3ij2 s PHE 45 CO 0.14 -0.23 0.31 0.45 -0.05 0.00 0.00 175.22 175.84 3ij2 s SER 46 N 0.61 5.66 -0.33 1.98 0.15 -0.38 -2.27 113.70 119.13 3ij2 s SER 46 Ca -0.01 -1.75 0.02 0.00 0.70 0.00 0.00 55.95 54.91 3ij2 s SER 46 Cb -0.04 -2.00 0.44 0.00 -1.71 0.00 0.00 66.02 62.71 3ij2 s SER 46 CO -0.10 -0.63 1.68 -0.90 1.20 0.00 0.00 173.24 174.49 3ij2 n ASP 47 N 4.90 3.92 -3.83 5.45 3.85 -1.25 -0.62 116.55 128.97 3ij2 n ASP 47 Ca -0.09 -3.14 -0.09 0.00 -0.71 0.00 0.00 54.79 50.76 3ij2 n ASP 47 Cb 0.42 -0.77 -0.05 0.00 -1.35 0.00 0.00 41.12 39.37 3ij2 n ASP 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3ij2 s VAL 48 N -2.39 0.03 -0.83 2.12 0.11 -1.26 -4.98 120.40 113.20 3ij2 s VAL 48 Ca 0.40 -1.01 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 3ij2 s VAL 48 Cb 0.33 -1.71 0.21 0.00 -1.53 0.00 0.00 36.38 33.67 3ij2 s VAL 48 CO 0.07 -0.16 0.70 0.68 -3.33 0.00 0.00 175.10 173.06 3ij2 s VAL 49 N -3.91 4.20 0.01 2.04 -7.23 -1.23 -3.37 120.40 110.91 3ij2 s VAL 49 Ca 0.12 -3.68 0.04 0.00 -1.81 0.00 0.00 61.98 56.66 3ij2 s VAL 49 Cb 0.00 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 3ij2 s VAL 49 CO -0.01 -1.04 -0.13 -0.55 -0.31 0.00 0.00 175.10 173.06 3ij2 s SER 50 N 0.01 1.52 0.00 4.85 0.15 -0.40 -4.66 113.70 115.17 3ij2 s SER 50 Ca 0.25 -0.34 0.25 0.00 0.70 0.00 0.00 55.95 56.82 3ij2 s SER 50 Cb -0.10 -0.13 1.38 0.00 -1.71 0.00 0.00 66.02 65.47 3ij2 s SER 50 CO -0.11 0.09 1.91 0.00 1.20 0.00 0.00 173.24 176.33 3ij2 n ALA 51 N 2.34 2.63 -0.06 5.45 0.00 -1.26 -0.32 120.51 129.29 3ij2 n ALA 51 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 52.91 3ij2 n ALA 51 Cb 0.55 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 3ij2 n ALA 51 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ij2 n THR 52 N -0.63 1.03 -2.47 0.00 -2.24 -1.26 -4.66 114.28 104.05 3ij2 n THR 52 Ca 0.19 -0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 3ij2 n THR 52 Cb 0.15 -1.81 -0.04 0.00 -2.10 0.00 0.00 70.33 66.53 3ij2 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ij2 s GLU 53 N -2.36 4.61 0.00 -0.78 2.02 -1.26 -4.57 118.70 116.36 3ij2 s GLU 53 Ca -0.20 1.79 0.00 0.00 0.02 0.00 0.00 54.97 56.57 3ij2 s GLU 53 Cb 0.07 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3ij2 s GLU 53 CO 0.27 0.14 0.00 -0.35 0.02 0.00 0.00 175.26 175.34 3ij2 n PRO 54 N 1.68 1.58 -2.55 0.39 -0.04 -1.26 -1.46 135.00 133.34 3ij2 n PRO 54 Ca 0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3ij2 n PRO 54 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 3ij2 n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ij2 s LYS 56 N 5.59 1.53 0.05 0.00 1.02 -0.96 -4.55 119.74 122.42 3ij2 s LYS 56 Ca 0.37 1.39 -0.27 0.00 0.02 0.00 0.00 55.97 57.47 3ij2 s LYS 56 Cb -0.08 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.38 3ij2 s LYS 56 CO 0.17 -2.23 0.86 -1.25 -0.92 0.00 0.00 175.35 171.99 3ij2 s PRO 57 N -4.76 4.57 -0.01 -1.68 0.04 -1.26 -1.17 135.00 130.74 3ij2 s PRO 57 Ca 0.64 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 3ij2 s PRO 57 Cb -0.20 -3.39 -0.09 0.00 0.04 0.00 0.00 34.50 30.86 3ij2 s PRO 57 CO 0.57 0.20 2.01 0.00 0.04 0.00 0.00 177.00 179.82 3ij2 n THR 59 N 5.84 0.20 -3.97 0.00 -1.04 -1.26 -4.94 114.28 109.10 3ij2 n THR 59 Ca 0.22 -0.05 -0.28 0.00 -2.04 0.00 0.00 64.05 61.90 3ij2 n THR 59 Cb 0.41 -0.53 -0.04 0.00 -1.82 0.00 0.00 70.33 68.35 3ij2 n THR 59 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3ij2 s GLU 60 N 0.15 3.30 -0.21 -2.82 2.02 -1.26 -4.72 118.70 115.16 3ij2 s GLU 60 Ca 0.84 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 55.15 3ij2 s GLU 60 Cb -1.04 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 30.24 3ij2 s GLU 60 CO 0.51 0.54 0.05 0.00 0.02 0.00 0.00 175.26 176.39 3ij2 s LEU 62 N 1.00 1.79 0.00 0.00 0.05 -1.23 -4.90 118.68 115.39 3ij2 s LEU 62 Ca 0.03 -0.14 0.00 0.00 0.05 0.00 0.00 54.13 54.07 3ij2 s LEU 62 Cb -0.14 0.37 0.00 0.00 -2.05 0.00 0.00 46.19 44.37 3ij2 s LEU 62 CO 0.03 -0.22 0.00 0.61 -0.55 0.00 0.00 176.35 176.22 3ij2 n GLY 63 N 2.10 2.04 0.07 -3.48 0.00 -1.26 -2.13 105.19 102.53 3ij2 n GLY 63 Ca -0.19 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.64 3ij2 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ij2 n LEU 64 N 0.00 0.30 -4.56 0.99 4.77 -1.26 -4.61 117.00 112.64 3ij2 n LEU 64 Ca 0.00 0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 3ij2 n LEU 64 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3ij2 n LEU 64 CO 0.00 0.06 1.52 -1.10 -1.33 0.00 0.00 177.39 176.54 3ij2 s GLN 65 N -2.53 2.84 0.04 3.23 -1.52 -0.90 -1.14 119.66 119.66 3ij2 s GLN 65 Ca 0.28 0.63 -0.01 0.00 -1.95 0.00 0.00 55.36 54.31 3ij2 s GLN 65 Cb 0.20 -4.32 -0.04 0.00 -0.22 0.00 0.00 33.01 28.63 3ij2 s GLN 65 CO 0.48 -2.48 0.18 -1.54 -0.25 0.00 0.00 175.29 171.68 3ij2 s SER 66 N 7.08 6.25 0.24 5.90 1.04 -0.50 -3.46 113.70 130.25 3ij2 s SER 66 Ca 0.65 0.26 -0.30 0.00 0.48 0.00 0.00 55.95 57.04 3ij2 s SER 66 Cb -0.13 -1.91 -0.09 0.00 0.10 0.00 0.00 66.02 63.99 3ij2 s SER 66 CO 0.22 0.21 1.05 -0.32 0.98 0.00 0.00 173.24 175.38 3ij2 s MET 67 N -2.27 4.70 -0.16 4.02 1.75 -1.26 0.45 119.30 126.53 3ij2 s MET 67 Ca 0.31 1.68 -0.04 0.00 -1.25 0.00 0.00 55.69 56.39 3ij2 s MET 67 Cb -0.13 -3.24 -0.08 0.00 2.84 0.00 0.00 34.83 34.22 3ij2 s MET 67 CO 0.24 0.28 -0.18 -1.13 -0.65 0.00 0.00 175.02 173.58 3ij2 n SER 68 N 1.58 1.83 -4.02 1.11 3.41 0.85 -4.78 113.62 113.59 3ij2 n SER 68 Ca -0.01 0.08 -0.25 0.00 -0.26 0.00 0.00 58.87 58.44 3ij2 n SER 68 Cb 0.46 -0.38 -0.17 0.00 -0.26 0.00 0.00 64.21 63.87 3ij2 n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ij2 s ALA 69 N -2.30 1.27 0.84 7.33 0.00 -0.51 -4.95 121.76 123.44 3ij2 s ALA 69 Ca -0.22 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3ij2 s ALA 69 Cb 0.07 -0.57 0.10 0.00 0.00 0.00 0.00 23.12 22.72 3ij2 s ALA 69 CO 0.31 0.11 1.09 -1.25 0.00 0.00 0.00 175.76 176.02 3ij2 s PRO 70 N 0.68 1.70 -0.16 0.00 0.04 -1.26 0.04 135.00 136.04 3ij2 s PRO 70 Ca -0.14 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 3ij2 s PRO 70 Cb -0.16 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3ij2 s PRO 70 CO 0.04 -1.97 0.37 0.00 0.04 0.00 0.00 177.00 175.47 3ij2 s VAL 72 N 0.69 1.03 0.28 0.00 1.01 0.52 -2.80 120.40 121.14 3ij2 s VAL 72 Ca 0.20 -2.03 0.02 0.00 0.00 0.00 0.00 61.98 60.16 3ij2 s VAL 72 Cb -0.14 -1.97 0.27 0.00 0.00 0.00 0.00 36.38 34.54 3ij2 s VAL 72 CO 0.06 -0.64 1.76 -0.33 0.00 0.00 0.00 175.10 175.96 3ij2 h GLU 73 N 2.72 0.63 -0.31 2.72 3.07 -1.84 -0.57 114.58 121.00 3ij2 h GLU 73 Ca -0.37 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.32 3ij2 h GLU 73 Cb 1.20 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 3ij2 h GLU 73 CO 0.64 0.42 -0.35 0.00 -1.40 0.00 0.00 179.01 178.32 3ij2 h ALA 74 N 1.61 0.82 -3.02 3.43 0.00 -1.86 -0.97 119.26 119.27 3ij2 h ALA 74 Ca 0.52 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3ij2 h ALA 74 Cb 0.80 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.23 3ij2 h ALA 74 CO -0.39 0.64 -0.51 0.34 0.00 0.00 0.00 179.25 179.34 3ij2 s ASP 75 N -6.82 -0.07 0.70 0.00 3.68 -0.22 -3.94 116.67 110.00 3ij2 s ASP 75 Ca -0.09 0.05 -0.12 0.00 2.13 0.00 0.00 52.55 54.52 3ij2 s ASP 75 Cb 0.12 0.27 0.02 0.00 -1.45 0.00 0.00 42.92 41.88 3ij2 s ASP 75 CO 0.84 -0.22 1.08 -0.62 0.13 0.00 0.00 175.17 176.37 3ij2 s ASP 76 N -0.70 5.12 0.29 -0.34 2.15 -1.26 -0.36 116.67 121.58 3ij2 s ASP 76 Ca -0.08 1.77 -0.29 0.00 0.43 0.00 0.00 52.55 54.38 3ij2 s ASP 76 Cb -0.05 -2.52 -0.09 0.00 -0.30 0.00 0.00 42.92 39.96 3ij2 s ASP 76 CO 0.01 -1.62 1.09 0.00 -0.17 0.00 0.00 175.17 174.48 3ij2 s ALA 77 N -2.81 3.36 -0.15 3.66 0.00 -1.25 -4.68 121.76 119.90 3ij2 s ALA 77 Ca 0.61 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.43 3ij2 s ALA 77 Cb -0.16 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3ij2 s ALA 77 CO 0.51 -0.15 -0.11 0.08 0.00 0.00 0.00 175.76 176.08 3ij2 s VAL 78 N -1.22 3.14 0.22 0.00 1.01 0.11 -4.66 120.40 118.99 3ij2 s VAL 78 Ca 0.46 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3ij2 s VAL 78 Cb -0.31 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3ij2 s VAL 78 CO 0.39 0.51 0.38 0.00 0.00 0.00 0.00 175.10 176.38 3ij2 s ARG 80 N -3.61 1.71 0.62 0.00 0.52 0.17 -4.76 118.95 113.61 3ij2 s ARG 80 Ca 0.37 -1.57 -0.19 0.00 -0.52 0.00 0.00 55.73 53.82 3ij2 s ARG 80 Cb -0.10 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.78 3ij2 s ARG 80 CO 0.30 -0.70 1.29 0.00 0.02 0.00 0.00 175.30 176.21 3ij2 s ALA 82 N -1.37 0.67 0.28 0.00 0.00 -0.30 -4.63 121.76 116.42 3ij2 s ALA 82 Ca 0.80 -0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 3ij2 s ALA 82 Cb -0.39 -3.24 0.49 0.00 0.00 0.00 0.00 23.12 19.98 3ij2 s ALA 82 CO 0.43 -3.07 1.57 -0.92 0.00 0.00 0.00 175.76 173.77 3ij2 h TYR 83 N -2.07 -0.41 0.00 0.00 -0.00 -1.91 -0.99 116.97 111.59 3ij2 h TYR 83 Ca -0.54 0.08 -0.05 0.00 -0.00 0.00 0.00 58.73 58.22 3ij2 h TYR 83 Cb 1.31 0.33 -0.01 0.00 -0.00 0.00 0.00 36.73 38.36 3ij2 h TYR 83 CO 0.36 -0.41 -0.26 0.78 -0.00 0.00 0.00 178.16 178.63 3ij2 h GLY 84 N 0.00 0.00 -0.60 1.82 0.00 -1.96 -3.48 103.07 98.86 3ij2 h GLY 84 Ca 0.48 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 47.15 3ij2 h GLY 84 CO -0.96 0.00 -0.52 -0.19 0.00 0.00 0.00 176.54 174.86 3ij2 s TYR 85 N -4.00 1.97 0.08 5.60 1.51 -0.38 -0.72 117.35 121.41 3ij2 s TYR 85 Ca -0.02 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.15 3ij2 s TYR 85 Cb 0.13 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 3ij2 s TYR 85 CO 0.65 0.24 -0.06 1.52 -1.11 0.00 0.00 175.55 176.79 3ij2 s TYR 86 N -2.84 0.79 -0.07 2.71 -0.85 0.19 -4.51 117.35 112.76 3ij2 s TYR 86 Ca 0.12 -0.85 -0.30 0.00 -0.52 0.00 0.00 57.07 55.52 3ij2 s TYR 86 Cb 0.03 -0.47 -0.03 0.00 0.38 0.00 0.00 41.96 41.87 3ij2 s TYR 86 CO 0.06 -0.17 1.15 -1.14 -1.52 0.00 0.00 175.55 173.94 3ij2 s GLN 87 N -3.38 4.36 -0.28 -3.49 2.00 0.29 -2.31 119.66 116.85 3ij2 s GLN 87 Ca 0.07 1.60 -0.22 0.00 -2.00 0.00 0.00 55.36 54.81 3ij2 s GLN 87 Cb 0.02 -3.56 -0.01 0.00 0.80 0.00 0.00 33.01 30.27 3ij2 s GLN 87 CO -0.04 -0.43 0.70 0.34 -0.50 0.00 0.00 175.29 175.36 3ij2 s ASP 88 N 1.39 6.60 0.11 6.67 -1.08 -0.98 -4.60 116.67 124.80 3ij2 s ASP 88 Ca 0.54 0.64 0.14 0.00 -0.52 0.00 0.00 52.55 53.35 3ij2 s ASP 88 Cb -0.23 -2.37 0.65 0.00 -1.46 0.00 0.00 42.92 39.51 3ij2 s ASP 88 CO 0.21 -0.49 1.45 -0.62 0.52 0.00 0.00 175.17 176.23 3ij2 n GLU 89 N 5.94 0.07 0.00 4.34 -0.58 -1.26 -0.72 120.64 128.43 3ij2 n GLU 89 Ca 0.01 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3ij2 n GLU 89 Cb 0.48 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3ij2 n GLU 89 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ij2 n GLU 90 N -1.80 0.01 0.00 3.49 1.02 -1.26 -4.65 120.64 117.45 3ij2 n GLU 90 Ca 0.02 -0.74 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 3ij2 n GLU 90 Cb 0.12 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 3ij2 n GLU 90 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3ij2 n THR 91 N -0.12 0.00 -0.46 2.62 -1.04 -0.81 -4.98 114.28 109.48 3ij2 n THR 91 Ca 0.00 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3ij2 n THR 91 Cb 0.07 1.11 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 3ij2 n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ij2 n GLY 92 N 0.46 0.00 3.49 3.41 0.00 0.10 -4.86 105.19 107.78 3ij2 n GLY 92 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ij2 n GLY 92 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ij2 s HIS 93 N -0.52 2.47 -0.71 1.61 5.65 -1.26 -4.87 115.29 117.67 3ij2 s HIS 93 Ca 0.00 -0.29 -0.26 0.00 0.25 0.00 0.00 55.06 54.76 3ij2 s HIS 93 Cb 0.00 -1.24 -0.00 0.00 -1.18 0.00 0.00 32.58 30.16 3ij2 s HIS 93 CO 0.00 0.48 1.64 0.00 -0.65 0.00 0.00 174.74 176.21 3ij2 s GLU 95 N 6.46 3.57 0.33 0.00 8.01 -0.98 -4.87 118.70 131.23 3ij2 s GLU 95 Ca 0.55 -0.20 -0.21 0.00 0.01 0.00 0.00 54.97 55.12 3ij2 s GLU 95 Cb -0.10 -2.82 -0.10 0.00 -4.31 0.00 0.00 34.13 26.81 3ij2 s GLU 95 CO 0.15 0.41 0.85 0.00 0.01 0.00 0.00 175.26 176.68 3ij2 s ALA 96 N -1.81 3.23 0.13 5.21 0.00 -1.26 -0.64 121.76 126.62 3ij2 s ALA 96 Ca 0.40 0.31 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3ij2 s ALA 96 Cb -0.11 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 3ij2 s ALA 96 CO 0.27 0.23 1.70 0.00 0.00 0.00 0.00 175.76 177.96 3ij2 s SER 98 N 2.01 6.67 0.42 0.00 1.04 -1.26 -4.95 113.70 117.63 3ij2 s SER 98 Ca 0.75 2.43 -0.05 0.00 0.48 0.00 0.00 55.95 59.57 3ij2 s SER 98 Cb -0.44 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.01 3ij2 s SER 98 CO 0.33 -0.58 0.71 0.68 0.98 0.00 0.00 173.24 175.36 3ij2 s VAL 99 N -1.30 4.95 -0.60 5.02 -7.23 -1.26 -4.48 120.40 115.50 3ij2 s VAL 99 Ca 0.53 0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 60.59 3ij2 s VAL 99 Cb -0.33 -3.83 0.09 0.00 0.56 0.00 0.00 36.38 32.87 3ij2 s VAL 99 CO 0.43 -0.69 0.75 0.00 -0.31 0.00 0.00 175.10 175.28 3ij2 s GLU 101 N 2.97 1.04 0.81 0.00 0.41 -1.26 -2.69 118.70 119.98 3ij2 s GLU 101 Ca 0.14 1.11 -0.16 0.00 -0.41 0.00 0.00 54.97 55.64 3ij2 s GLU 101 Cb -0.22 -1.76 -0.09 0.00 -1.78 0.00 0.00 34.13 30.27 3ij2 s GLU 101 CO 0.07 -2.47 -0.13 0.28 -0.49 0.00 0.00 175.26 172.52 3ij2 n VAL 102 N -4.08 0.45 -0.90 2.63 0.31 -1.24 -0.14 118.33 115.36 3ij2 n VAL 102 Ca 0.08 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3ij2 n VAL 102 Cb 0.54 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 3ij2 n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ij2 n GLY 103 N 2.50 0.10 3.18 2.92 0.00 -1.23 -4.93 105.19 107.72 3ij2 n GLY 103 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3ij2 n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ij2 s SER 104 N -2.04 -0.05 0.41 1.61 0.15 0.80 -2.08 113.70 112.52 3ij2 s SER 104 Ca 0.00 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.52 3ij2 s SER 104 Cb 0.00 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 3ij2 s SER 104 CO 0.00 -0.46 0.11 -0.83 1.20 0.00 0.00 173.24 173.26 3ij2 s GLY 105 N -1.61 2.63 0.32 9.45 0.00 -0.49 -4.31 107.32 113.30 3ij2 s GLY 105 Ca -0.11 -1.20 -0.26 0.00 0.00 0.00 0.00 44.72 43.15 3ij2 s GLY 105 CO 0.01 -1.86 0.95 -2.27 0.00 0.00 0.00 173.10 169.92 3ij2 s LEU 106 N -3.63 4.36 0.11 0.66 2.96 -0.64 -0.56 118.68 121.95 3ij2 s LEU 106 Ca 0.23 1.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3ij2 s LEU 106 Cb 0.03 -3.99 0.00 0.00 0.50 0.00 0.00 46.19 42.73 3ij2 s LEU 106 CO 0.14 -0.06 0.00 0.52 -1.32 0.00 0.00 176.35 175.62 3ij2 n VAL 107 N 0.61 0.67 -4.59 1.68 0.31 0.11 -4.49 118.33 112.63 3ij2 n VAL 107 Ca 0.02 0.22 -0.31 0.00 -0.01 0.00 0.00 64.34 64.26 3ij2 n VAL 107 Cb 0.50 -1.15 -0.12 0.00 -0.91 0.00 0.00 33.84 32.15 3ij2 n VAL 107 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3ij2 s PHE 108 N -1.74 2.61 0.77 3.52 0.40 -1.14 -4.99 117.98 117.40 3ij2 s PHE 108 Ca 0.00 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.00 3ij2 s PHE 108 Cb 0.00 -1.47 0.17 0.00 0.51 0.00 0.00 43.02 42.23 3ij2 s PHE 108 CO 0.00 0.28 1.05 0.45 0.70 0.00 0.00 175.22 177.70 3ij2 n SER 109 N 1.46 0.31 -4.45 1.36 2.88 -1.26 -1.79 113.62 112.13 3ij2 n SER 109 Ca -0.16 -1.52 -0.43 0.00 -1.33 0.00 0.00 58.87 55.43 3ij2 n SER 109 Cb 0.52 -0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 63.17 3ij2 n SER 109 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ij2 n GLN 111 N 7.09 -0.09 -0.20 0.00 3.00 0.13 -4.90 117.38 122.42 3ij2 n GLN 111 Ca 0.11 -0.70 -0.00 0.00 -0.01 0.00 0.00 57.00 56.40 3ij2 n GLN 111 Cb 0.47 -0.33 0.10 0.00 0.00 0.00 0.00 30.24 30.48 3ij2 n GLN 111 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 3ij2 h ASP 112 N -0.40 0.20 -0.00 1.08 2.03 -1.95 -3.18 116.42 114.20 3ij2 h ASP 112 Ca -0.12 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 3ij2 h ASP 112 Cb 0.36 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 3ij2 h ASP 112 CO 0.10 0.12 -0.17 2.29 -1.03 0.00 0.00 179.24 180.54 3ij2 n LYS 113 N -5.01 3.50 -3.91 4.15 -0.00 -1.26 0.10 118.16 115.74 3ij2 n LYS 113 Ca 0.08 -0.28 -0.35 0.00 -0.00 0.00 0.00 58.31 57.77 3ij2 n LYS 113 Cb 0.27 -0.87 -0.14 0.00 -0.00 0.00 0.00 35.03 34.29 3ij2 n LYS 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3ij2 s GLN 114 N -1.19 3.03 0.64 -1.58 2.00 -1.20 -4.68 119.66 116.68 3ij2 s GLN 114 Ca 0.04 -0.86 -0.16 0.00 -2.00 0.00 0.00 55.36 52.38 3ij2 s GLN 114 Cb 0.04 -3.07 -0.01 0.00 0.80 0.00 0.00 33.01 30.78 3ij2 s GLN 114 CO 0.18 -0.35 1.13 1.21 -0.50 0.00 0.00 175.29 176.95 3ij2 s ASN 115 N 1.40 5.12 0.24 6.67 2.47 -1.26 -0.69 114.94 128.89 3ij2 s ASN 115 Ca 0.02 2.09 -0.25 0.00 0.42 0.00 0.00 52.86 55.14 3ij2 s ASN 115 Cb -0.16 -2.56 -0.16 0.00 -1.45 0.00 0.00 41.25 36.92 3ij2 s ASN 115 CO -0.03 -1.63 0.39 0.41 -3.72 0.00 0.00 177.10 172.52 3ij2 n THR 116 N -2.21 1.56 -4.03 -5.21 -1.04 -1.26 -4.67 114.28 97.42 3ij2 n THR 116 Ca 0.11 -0.47 -0.31 0.00 -2.04 0.00 0.00 64.05 61.33 3ij2 n THR 116 Cb 0.51 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.87 3ij2 n THR 116 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ij2 s VAL 117 N -1.11 2.05 0.66 12.58 1.01 -0.74 -4.88 120.40 129.97 3ij2 s VAL 117 Ca 0.59 -1.72 0.05 0.00 0.00 0.00 0.00 61.98 60.91 3ij2 s VAL 117 Cb -0.81 -2.27 0.12 0.00 0.00 0.00 0.00 36.38 33.42 3ij2 s VAL 117 CO 0.55 -0.18 0.90 0.00 0.00 0.00 0.00 175.10 176.37 3ij2 s GLU 119 N -4.88 0.52 -0.10 0.00 2.12 0.28 -4.74 118.70 111.90 3ij2 s GLU 119 Ca 0.64 0.43 -0.29 0.00 0.36 0.00 0.00 54.97 56.11 3ij2 s GLU 119 Cb -0.04 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.55 3ij2 s GLU 119 CO 0.42 -0.08 1.59 -2.00 -0.54 0.00 0.00 175.26 174.64 3ij2 s GLU 120 N -0.07 4.13 -0.46 4.30 2.56 -1.26 -1.39 118.70 126.50 3ij2 s GLU 120 Ca -0.02 2.03 -0.40 0.00 0.00 0.00 0.00 54.97 56.58 3ij2 s GLU 120 Cb -0.03 -3.96 -0.16 0.00 2.00 0.00 0.00 34.13 31.98 3ij2 s GLU 120 CO 0.01 -0.90 2.19 0.00 -0.56 0.00 0.00 175.26 176.00 3ij2 n PRO 122 N 7.83 -2.99 -1.68 0.00 -0.04 -1.26 -4.77 135.00 132.09 3ij2 n PRO 122 Ca 0.50 -1.24 -0.50 0.00 -0.04 0.00 0.00 63.50 62.22 3ij2 n PRO 122 Cb 0.07 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 3ij2 n PRO 122 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3ij2 n GLU 123 N -4.19 1.97 -0.27 0.54 4.07 -1.26 -2.20 120.64 119.30 3ij2 n GLU 123 Ca 0.11 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.93 3ij2 n GLU 123 Cb 0.44 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.29 3ij2 n GLU 123 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ij2 n GLY 124 N 4.27 0.79 3.70 8.31 0.00 -1.26 -5.07 105.19 115.93 3ij2 n GLY 124 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 3ij2 n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ij2 s THR 125 N -2.17 0.96 0.12 2.61 -4.23 -0.94 -1.51 115.64 110.47 3ij2 s THR 125 Ca 0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.26 3ij2 s THR 125 Cb 0.00 -2.17 0.07 0.00 1.34 0.00 0.00 72.50 71.74 3ij2 s THR 125 CO 0.00 0.00 0.75 -0.72 -0.54 0.00 0.00 174.62 174.11 3ij2 s TYR 126 N -2.97 -0.39 -0.23 3.99 1.13 0.28 -4.36 117.35 114.79 3ij2 s TYR 126 Ca 0.09 0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.92 3ij2 s TYR 126 Cb 0.01 0.58 0.04 0.00 -1.10 0.00 0.00 41.96 41.49 3ij2 s TYR 126 CO 0.06 -0.80 -0.12 0.45 -2.51 0.00 0.00 175.55 172.63 3ij2 s SER 127 N -2.71 4.03 0.11 -0.18 0.15 -1.22 -2.33 113.70 111.54 3ij2 s SER 127 Ca 0.05 -1.04 -0.30 0.00 0.70 0.00 0.00 55.95 55.37 3ij2 s SER 127 Cb -0.02 -1.56 -0.11 0.00 -1.71 0.00 0.00 66.02 62.62 3ij2 s SER 127 CO -0.07 -0.12 1.62 0.44 1.20 0.00 0.00 173.24 176.30 3ij2 h ASP 128 N 7.89 -0.94 -3.41 5.45 3.32 -1.91 -3.33 116.42 123.49 3ij2 h ASP 128 Ca -0.31 0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.61 3ij2 h ASP 128 Cb 1.09 0.34 -0.05 0.00 0.22 0.00 0.00 39.33 40.92 3ij2 h ASP 128 CO 0.55 -0.44 -0.20 -0.62 -1.72 0.00 0.00 179.24 176.80 3ij2 n GLU 129 N -5.44 0.54 -4.00 3.56 4.71 -1.26 -4.87 120.64 113.89 3ij2 n GLU 129 Ca -0.08 -1.47 -0.33 0.00 -0.01 0.00 0.00 57.16 55.26 3ij2 n GLU 129 Cb 0.34 0.96 -0.14 0.00 -1.01 0.00 0.00 31.44 31.59 3ij2 n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ij2 s ALA 130 N -2.52 2.68 0.34 0.62 0.00 -1.25 -3.62 121.76 118.01 3ij2 s ALA 130 Ca 0.12 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.18 3ij2 s ALA 130 Cb 0.01 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.41 3ij2 s ALA 130 CO 0.09 -1.23 0.69 0.54 0.00 0.00 0.00 175.76 175.85 3ij2 s ASN 131 N 1.17 0.09 -0.36 0.00 2.20 -1.10 -4.76 114.94 112.18 3ij2 s ASN 131 Ca -0.07 -1.07 0.07 0.00 -0.94 0.00 0.00 52.86 50.85 3ij2 s ASN 131 Cb -0.20 0.77 0.63 0.00 -2.00 0.00 0.00 41.25 40.46 3ij2 s ASN 131 CO -0.03 -1.50 1.74 0.00 -2.94 0.00 0.00 177.10 174.37 3ij2 n HIS 132 N -0.51 2.27 0.00 1.54 1.44 -1.26 0.38 115.22 119.08 3ij2 n HIS 132 Ca -0.05 -1.59 0.00 0.00 -2.01 0.00 0.00 57.72 54.07 3ij2 n HIS 132 Cb 0.60 -0.73 0.00 0.00 0.12 0.00 0.00 29.99 29.98 3ij2 n HIS 132 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3ij2 n VAL 133 N -0.89 0.00 -3.04 0.61 0.24 -1.26 -4.73 118.33 109.26 3ij2 n VAL 133 Ca 0.46 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 62.41 3ij2 n VAL 133 Cb 1.39 -1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.69 3ij2 n VAL 133 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3ij2 s ASP 134 N -4.54 7.05 0.06 -1.34 1.11 -1.26 -4.87 116.67 112.87 3ij2 s ASP 134 Ca 0.00 1.48 0.01 0.00 0.18 0.00 0.00 52.55 54.22 3ij2 s ASP 134 Cb 0.00 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.55 3ij2 s ASP 134 CO 0.00 -0.05 0.07 -0.81 1.18 0.00 0.00 175.17 175.56 3ij2 n PRO 135 N 0.43 1.10 -2.55 8.23 -0.04 -1.26 -1.62 135.00 139.30 3ij2 n PRO 135 Ca -0.00 -0.33 -0.41 0.00 -0.04 0.00 0.00 63.50 62.72 3ij2 n PRO 135 Cb 0.51 -0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 3ij2 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ij2 s LEU 137 N 0.25 4.20 0.50 0.00 1.43 -0.99 -4.83 118.68 119.24 3ij2 s LEU 137 Ca 0.52 0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.54 3ij2 s LEU 137 Cb -0.27 -2.79 -0.08 0.00 0.03 0.00 0.00 46.19 43.07 3ij2 s LEU 137 CO 0.32 0.10 1.06 -2.16 0.23 0.00 0.00 176.35 175.89 3ij2 s PRO 138 N -2.94 3.72 0.14 1.29 0.04 -1.26 -0.56 135.00 135.42 3ij2 s PRO 138 Ca 0.33 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 3ij2 s PRO 138 Cb -0.11 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3ij2 s PRO 138 CO 0.27 -0.51 0.66 0.00 0.04 0.00 0.00 177.00 177.46 3ij2 n THR 140 N 1.40 1.04 -0.43 0.00 -1.04 -1.26 -4.96 114.28 109.02 3ij2 n THR 140 Ca -0.07 -0.29 0.02 0.00 -2.04 0.00 0.00 64.05 61.67 3ij2 n THR 140 Cb 0.50 -0.74 0.03 0.00 -1.82 0.00 0.00 70.33 68.30 3ij2 n THR 140 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3ij2 n VAL 141 N -3.01 0.99 -0.71 12.58 0.24 -1.26 -4.71 118.33 122.45 3ij2 n VAL 141 Ca 0.09 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 3ij2 n VAL 141 Cb 0.52 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.31 3ij2 n VAL 141 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ij2 s GLU 143 N 0.00 0.76 0.00 0.00 2.02 -1.26 -4.91 118.70 115.32 3ij2 s GLU 143 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.15 3ij2 s GLU 143 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.59 3ij2 s GLU 143 CO 0.00 -0.24 0.69 -0.25 0.02 0.00 0.00 175.26 175.48 3ij2 n ASP 144 N 0.73 0.00 -0.07 -0.19 8.00 -1.26 -2.07 116.55 121.68 3ij2 n ASP 144 Ca -0.13 0.24 -0.09 0.00 0.71 0.00 0.00 54.79 55.51 3ij2 n ASP 144 Cb 0.58 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 3ij2 n ASP 144 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ij2 n THR 145 N -1.19 1.43 -1.73 -3.53 -1.04 -1.26 -4.99 114.28 101.97 3ij2 n THR 145 Ca 0.00 0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.72 3ij2 n THR 145 Cb 0.14 -2.16 -0.02 0.00 -1.82 0.00 0.00 70.33 66.46 3ij2 n THR 145 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ij2 n GLU 146 N -4.25 2.68 -2.27 -2.82 1.02 -0.88 -4.93 120.64 109.19 3ij2 n GLU 146 Ca -0.15 0.96 -0.37 0.00 -0.02 0.00 0.00 57.16 57.57 3ij2 n GLU 146 Cb 0.47 -2.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.11 3ij2 n GLU 146 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3ij2 s ARG 147 N 0.25 3.88 -0.22 3.49 3.52 -0.67 -4.12 118.95 125.09 3ij2 s ARG 147 Ca 0.69 1.80 -0.07 0.00 -0.13 0.00 0.00 55.73 58.03 3ij2 s ARG 147 Cb -0.51 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 3ij2 s ARG 147 CO 0.41 -0.46 0.05 -1.14 -0.81 0.00 0.00 175.30 173.35 3ij2 s GLN 148 N -2.54 3.73 -0.00 5.12 0.74 -1.26 -3.27 119.66 122.18 3ij2 s GLN 148 Ca 0.61 -0.45 -0.00 0.00 0.05 0.00 0.00 55.36 55.56 3ij2 s GLN 148 Cb -0.29 -3.22 -0.00 0.00 1.10 0.00 0.00 33.01 30.60 3ij2 s GLN 148 CO 0.36 0.00 -0.01 1.28 -0.55 0.00 0.00 175.29 176.38 3ij2 n LEU 149 N 4.34 0.03 -4.74 3.68 4.77 -0.48 -4.94 117.00 119.65 3ij2 n LEU 149 Ca -0.16 0.01 -0.36 0.00 -0.03 0.00 0.00 56.01 55.46 3ij2 n LEU 149 Cb 0.52 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3ij2 n LEU 149 CO 0.32 -0.50 -0.01 -0.60 -1.33 0.00 0.00 177.39 175.27 3ij2 s ARG 150 N -1.03 4.20 0.63 3.23 3.52 -1.21 -4.95 118.95 123.33 3ij2 s ARG 150 Ca -0.00 0.10 -0.07 0.00 -0.13 0.00 0.00 55.73 55.63 3ij2 s ARG 150 Cb 0.00 -3.40 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3ij2 s ARG 150 CO 0.01 0.29 0.95 -1.83 -0.81 0.00 0.00 175.30 173.90 3ij2 s GLU 151 N 0.30 2.78 -0.13 5.12 -1.05 -1.26 -1.40 118.70 123.06 3ij2 s GLU 151 Ca 0.17 0.01 -0.25 0.00 -0.15 0.00 0.00 54.97 54.75 3ij2 s GLU 151 Cb -0.13 -2.22 -0.02 0.00 -0.44 0.00 0.00 34.13 31.32 3ij2 s GLU 151 CO 0.04 -0.84 0.80 0.00 0.95 0.00 0.00 175.26 176.21 3ij2 s THR 153 N 1.69 3.37 -0.57 0.00 -4.23 -0.39 -4.95 115.64 110.56 3ij2 s THR 153 Ca 0.39 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3ij2 s THR 153 Cb -0.17 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3ij2 s THR 153 CO 0.15 -0.06 0.52 -2.65 -0.54 0.00 0.00 174.62 172.04 3ij2 n PRO 154 N 0.16 0.00 0.00 3.99 -0.02 -1.26 -1.20 135.00 136.67 3ij2 n PRO 154 Ca -0.11 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3ij2 n PRO 154 Cb 0.55 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3ij2 n PRO 154 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3ij2 n TRP 155 N -1.02 0.00 -3.76 6.00 2.14 -1.26 -3.46 117.44 116.09 3ij2 n TRP 155 Ca 0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.44 3ij2 n TRP 155 Cb 0.18 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.58 3ij2 n TRP 155 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3ij2 s ALA 156 N -0.39 -0.82 1.02 -1.67 0.00 -0.34 -4.27 121.76 115.28 3ij2 s ALA 156 Ca 0.00 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 3ij2 s ALA 156 Cb 0.00 -0.51 0.19 0.00 0.00 0.00 0.00 23.12 22.80 3ij2 s ALA 156 CO 0.00 -0.16 1.04 -3.47 0.00 0.00 0.00 175.76 173.16 3ij2 n ASP 157 N 2.81 -0.57 -4.82 0.00 2.03 -1.26 -1.27 116.55 113.47 3ij2 n ASP 157 Ca -0.13 0.20 -0.30 0.00 0.52 0.00 0.00 54.79 55.08 3ij2 n ASP 157 Cb 0.58 -1.38 0.09 0.00 -0.72 0.00 0.00 41.12 39.69 3ij2 n ASP 157 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ij2 s ALA 158 N -2.54 2.31 -0.01 -1.67 0.00 -1.26 -4.66 121.76 113.92 3ij2 s ALA 158 Ca 0.67 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.35 3ij2 s ALA 158 Cb -0.24 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3ij2 s ALA 158 CO 0.61 -1.71 -0.06 -1.21 0.00 0.00 0.00 175.76 173.39 3ij2 s GLU 159 N -5.23 0.62 0.30 0.00 2.02 -0.50 -4.81 118.70 111.10 3ij2 s GLU 159 Ca 0.61 -0.22 -0.12 0.00 0.02 0.00 0.00 54.97 55.27 3ij2 s GLU 159 Cb -0.14 -0.61 0.01 0.00 0.10 0.00 0.00 34.13 33.49 3ij2 s GLU 159 CO 0.53 0.10 0.55 0.00 0.02 0.00 0.00 175.26 176.47 3ij2 s GLU 161 N -3.49 1.18 0.00 0.00 2.56 -1.20 -5.03 118.70 112.72 3ij2 s GLU 161 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 54.97 54.76 3ij2 s GLU 161 Cb -0.02 0.54 0.00 0.00 2.00 0.00 0.00 34.13 36.66 3ij2 s GLU 161 CO 0.12 -0.52 0.00 1.58 -0.56 0.00 0.00 175.26 175.88 3ij2 n HIS 162 N -0.34 0.00 0.00 5.30 -0.00 -1.26 -1.66 115.22 117.26 3ij2 n HIS 162 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 3ij2 n HIS 162 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 3ij2 n HIS 162 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92