#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugv s SER 2 N 0.00 6.51 0.23 1.61 0.01 -1.26 -5.05 113.70 115.75 1ugv s SER 2 Ca 0.00 0.60 -0.30 0.00 1.31 0.00 0.00 55.95 57.56 1ugv s SER 2 Cb 0.00 -2.20 -0.09 0.00 0.21 0.00 0.00 66.02 63.94 1ugv s SER 2 CO 0.00 0.12 1.33 -0.94 0.41 0.00 0.00 173.24 174.15 1ugv s SER 3 N 0.27 6.85 1.03 2.44 1.04 -1.26 -4.96 113.70 119.11 1ugv s SER 3 Ca 0.19 2.48 -0.22 0.00 0.48 0.00 0.00 55.95 58.87 1ugv s SER 3 Cb -0.14 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.28 1ugv s SER 3 CO 0.06 -0.54 -0.84 0.61 0.98 0.00 0.00 173.24 173.50 1ugv n GLY 4 N 2.10 -3.09 1.16 7.32 0.00 -1.26 -4.73 105.19 106.69 1ugv n GLY 4 Ca 0.05 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1ugv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ugv n SER 5 N 1.72 -6.41 -4.53 1.61 7.64 -1.26 -4.78 113.62 107.60 1ugv n SER 5 Ca -0.01 1.13 -0.40 0.00 1.01 0.00 0.00 58.87 60.60 1ugv n SER 5 Cb 0.67 -3.97 -0.11 0.00 -1.01 0.00 0.00 64.21 59.79 1ugv n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ugv s SER 6 N -6.66 6.06 0.30 6.43 0.15 -1.26 -5.04 113.70 113.68 1ugv s SER 6 Ca 0.00 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 1ugv s SER 6 Cb 0.00 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.18 1ugv s SER 6 CO 0.00 -0.23 0.57 -0.83 1.20 0.00 0.00 173.24 173.96 1ugv s GLY 7 N 1.73 0.62 0.20 9.45 0.00 -1.26 -5.18 107.32 112.87 1ugv s GLY 7 Ca 0.06 -0.91 0.11 0.00 0.00 0.00 0.00 44.72 43.98 1ugv s GLY 7 CO 0.11 -0.57 -0.18 -0.51 0.00 0.00 0.00 173.10 171.95 1ugv s THR 8 N -3.47 2.69 -1.16 0.90 -4.23 -1.26 -5.03 115.64 104.09 1ugv s THR 8 Ca 0.21 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 1ugv s THR 8 Cb -0.02 -2.33 -0.07 0.00 1.34 0.00 0.00 72.50 71.42 1ugv s THR 8 CO 0.12 -0.17 2.27 -0.81 -0.54 0.00 0.00 174.62 175.49 1ugv n PRO 9 N 0.01 2.45 -3.57 3.99 -0.04 -1.26 -4.77 135.00 131.81 1ugv n PRO 9 Ca -0.11 -1.99 -0.10 0.00 -0.04 0.00 0.00 63.50 61.26 1ugv n PRO 9 Cb 0.56 -2.85 0.01 0.00 -0.04 0.00 0.00 33.50 31.18 1ugv n PRO 9 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ugv n PHE 10 N 5.42 -1.91 -3.89 0.54 3.72 -1.26 -5.13 117.46 114.95 1ugv n PHE 10 Ca 0.55 -1.83 -0.21 0.00 -0.05 0.00 0.00 57.45 55.91 1ugv n PHE 10 Cb 0.29 0.71 -0.03 0.00 -0.94 0.00 0.00 39.48 39.51 1ugv n PHE 10 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1ugv s ARG 11 N -2.31 3.03 0.06 -1.08 0.52 -1.26 -4.92 118.95 112.99 1ugv s ARG 11 Ca 0.19 -1.04 -0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1ugv s ARG 11 Cb -0.03 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 1ugv s ARG 11 CO 0.14 0.27 -0.04 0.15 0.02 0.00 0.00 175.30 175.84 1ugv s LYS 12 N -3.97 0.67 0.08 3.54 1.02 -1.26 -1.23 119.74 118.58 1ugv s LYS 12 Ca 0.37 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1ugv s LYS 12 Cb -0.08 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1ugv s LYS 12 CO 0.27 -0.08 -0.07 0.00 -0.92 0.00 0.00 175.35 174.56 1ugv s ALA 13 N -3.68 0.84 -0.11 5.17 0.00 -1.08 -1.32 121.76 121.59 1ugv s ALA 13 Ca 0.07 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1ugv s ALA 13 Cb 0.06 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 1ugv s ALA 13 CO -0.08 -0.14 -0.22 0.21 0.00 0.00 0.00 175.76 175.53 1ugv s LYS 14 N -2.94 3.09 0.08 0.00 2.20 -1.06 0.11 119.74 121.23 1ugv s LYS 14 Ca 0.03 -0.85 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 1ugv s LYS 14 Cb -0.01 -2.36 -0.08 0.00 -1.51 0.00 0.00 37.83 33.87 1ugv s LYS 14 CO -0.03 0.17 1.57 0.00 -0.36 0.00 0.00 175.35 176.70 1ugv s ALA 15 N 0.39 3.68 0.04 3.13 0.00 0.37 0.51 121.76 129.87 1ugv s ALA 15 Ca -0.17 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 1ugv s ALA 15 Cb -0.17 -3.65 -0.22 0.00 0.00 0.00 0.00 23.12 19.07 1ugv s ALA 15 CO 0.08 -0.97 1.16 -0.07 0.00 0.00 0.00 175.76 175.96 1ugv h LEU 16 N 8.03 0.67 -8.67 0.00 3.38 -0.18 0.44 115.31 118.99 1ugv h LEU 16 Ca -0.42 -0.72 -0.34 0.00 0.09 0.00 0.00 57.88 56.49 1ugv h LEU 16 Cb 1.20 -0.20 -0.15 0.00 0.09 0.00 0.00 40.66 41.60 1ugv h LEU 16 CO 0.92 1.30 -0.72 -0.31 0.09 0.00 0.00 178.44 179.73 1ugv s TYR 17 N -3.36 1.30 -0.05 1.13 1.51 -1.25 -4.61 117.35 112.03 1ugv s TYR 17 Ca -0.12 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 54.90 1ugv s TYR 17 Cb 0.05 -0.65 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1ugv s TYR 17 CO 0.85 0.10 1.03 0.00 -1.11 0.00 0.00 175.55 176.43 1ugv s ALA 18 N -3.29 3.31 -0.03 3.71 0.00 -1.26 -3.98 121.76 120.22 1ugv s ALA 18 Ca 0.17 0.50 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1ugv s ALA 18 Cb 0.02 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 1ugv s ALA 18 CO 0.01 -0.46 -0.20 0.00 0.00 0.00 0.00 175.76 175.11 1ugv n LYS 20 N 2.83 2.77 -0.63 0.00 4.81 -1.26 -2.31 118.16 124.36 1ugv n LYS 20 Ca -0.17 -4.50 -0.23 0.00 -0.87 0.00 0.00 58.31 52.55 1ugv n LYS 20 Cb 0.53 -2.41 0.13 0.00 0.02 0.00 0.00 35.03 33.30 1ugv n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ugv n ALA 21 N 2.14 -1.87 0.00 3.14 0.00 -1.26 -4.96 120.51 117.71 1ugv n ALA 21 Ca 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1ugv n ALA 21 Cb 0.37 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1ugv n ALA 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ugv n GLU 22 N -1.15 0.00 -1.15 0.00 1.02 -1.26 -4.92 120.64 113.18 1ugv n GLU 22 Ca 0.03 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.83 1ugv n GLU 22 Cb 0.45 -0.05 0.12 0.00 -0.02 0.00 0.00 31.44 31.93 1ugv n GLU 22 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1ugv n HIS 23 N -1.94 0.88 -1.60 -0.32 -0.00 -1.26 -4.82 115.22 106.16 1ugv n HIS 23 Ca 0.00 0.39 -0.41 0.00 0.46 0.00 0.00 57.72 58.16 1ugv n HIS 23 Cb 0.00 -2.07 -0.01 0.00 -0.12 0.00 0.00 29.99 27.79 1ugv n HIS 23 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1ugv n ASP 24 N -2.66 4.50 0.00 0.26 8.00 -1.26 -3.15 116.55 122.24 1ugv n ASP 24 Ca 0.13 -2.78 0.00 0.00 0.71 0.00 0.00 54.79 52.85 1ugv n ASP 24 Cb 0.50 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1ugv n ASP 24 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ugv n SER 25 N 5.81 0.00 -4.67 -2.24 2.88 -1.26 -5.08 113.62 109.06 1ugv n SER 25 Ca 0.56 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.78 1ugv n SER 25 Cb 0.36 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.99 1ugv n SER 25 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ugv n GLU 26 N 0.00 -0.40 -4.47 -1.46 1.02 -1.19 -0.55 120.64 113.60 1ugv n GLU 26 Ca 0.00 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 1ugv n GLU 26 Cb 0.00 -2.38 -0.11 0.00 -0.02 0.00 0.00 31.44 28.93 1ugv n GLU 26 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ugv s LEU 27 N -6.47 2.85 -0.11 -4.62 1.43 -0.55 -4.64 118.68 106.58 1ugv s LEU 27 Ca 0.68 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1ugv s LEU 27 Cb -0.24 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1ugv s LEU 27 CO 0.57 0.23 -0.08 -0.44 0.23 0.00 0.00 176.35 176.86 1ugv s SER 28 N -1.70 4.44 0.08 2.29 0.01 -1.26 -4.10 113.70 113.46 1ugv s SER 28 Ca 0.17 -0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 1ugv s SER 28 Cb -0.11 -1.46 0.01 0.00 0.21 0.00 0.00 66.02 64.67 1ugv s SER 28 CO 0.08 0.24 0.16 2.22 0.41 0.00 0.00 173.24 176.36 1ugv n PHE 29 N 3.04 -1.26 -4.32 2.43 1.16 -0.98 -4.97 117.46 112.55 1ugv n PHE 29 Ca -0.18 -0.40 -0.21 0.00 -1.87 0.00 0.00 57.45 54.80 1ugv n PHE 29 Cb 0.53 0.19 -0.11 0.00 -1.61 0.00 0.00 39.48 38.48 1ugv n PHE 29 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ugv s THR 30 N -2.79 1.74 0.15 1.97 -4.23 -1.26 -2.47 115.64 108.74 1ugv s THR 30 Ca 0.04 -1.95 -0.34 0.00 -1.18 0.00 0.00 61.69 58.26 1ugv s THR 30 Cb -0.01 -1.84 -0.15 0.00 1.34 0.00 0.00 72.50 71.85 1ugv s THR 30 CO 0.03 -0.38 1.50 0.00 -0.54 0.00 0.00 174.62 175.22 1ugv n ALA 31 N 0.20 0.75 0.00 3.99 0.00 -1.26 -0.68 120.51 123.51 1ugv n ALA 31 Ca -0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ugv n ALA 31 Cb 0.58 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ugv n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ugv n GLY 32 N 3.05 0.51 3.67 0.00 0.00 0.15 -4.94 105.19 107.64 1ugv n GLY 32 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1ugv n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugv s THR 33 N -2.13 3.64 -0.09 2.61 2.01 0.14 -4.67 115.64 117.15 1ugv s THR 33 Ca 0.00 0.86 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 1ugv s THR 33 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1ugv s THR 33 CO 0.00 -0.06 0.49 -0.69 -0.69 0.00 0.00 174.62 173.67 1ugv s VAL 34 N 3.53 5.14 -0.14 3.82 1.01 -1.26 -0.48 120.40 132.03 1ugv s VAL 34 Ca 0.69 0.98 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 1ugv s VAL 34 Cb -0.32 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ugv s VAL 34 CO 0.27 0.36 0.13 -0.36 0.00 0.00 0.00 175.10 175.50 1ugv s PHE 35 N 0.39 3.55 0.17 5.22 0.08 0.30 -4.93 117.98 122.76 1ugv s PHE 35 Ca 0.27 0.48 -0.20 0.00 0.12 0.00 0.00 56.93 57.59 1ugv s PHE 35 Cb -0.16 -1.98 -0.08 0.00 -0.57 0.00 0.00 43.02 40.24 1ugv s PHE 35 CO 0.11 0.64 0.69 -0.51 -0.10 0.00 0.00 175.22 176.05 1ugv s ASP 36 N -0.74 7.12 -0.10 1.36 1.11 -1.02 -2.62 116.67 121.78 1ugv s ASP 36 Ca 0.13 1.41 -0.04 0.00 0.18 0.00 0.00 52.55 54.23 1ugv s ASP 36 Cb -0.12 -2.41 0.01 0.00 1.07 0.00 0.00 42.92 41.46 1ugv s ASP 36 CO 0.03 0.13 0.08 -3.20 1.18 0.00 0.00 175.17 173.38 1ugv n ASN 37 N 1.12 -6.71 -4.76 0.27 5.15 -0.81 -1.35 115.26 108.17 1ugv n ASN 37 Ca -0.05 0.51 -0.32 0.00 -0.60 0.00 0.00 54.58 54.11 1ugv n ASN 37 Cb 0.50 -2.23 -0.07 0.00 -0.53 0.00 0.00 39.78 37.46 1ugv n ASN 37 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ugv s VAL 38 N -1.18 4.60 0.03 3.44 1.01 -0.36 -3.47 120.40 124.48 1ugv s VAL 38 Ca 0.04 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1ugv s VAL 38 Cb -0.01 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 33.35 1ugv s VAL 38 CO 0.22 0.31 0.82 -1.38 0.00 0.00 0.00 175.10 175.07 1ugv s HIS 39 N -1.21 -0.40 -0.34 5.22 -3.43 -1.19 -4.64 115.29 109.30 1ugv s HIS 39 Ca 0.23 0.26 -0.29 0.00 -0.80 0.00 0.00 55.06 54.46 1ugv s HIS 39 Cb -0.12 0.54 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 1ugv s HIS 39 CO 0.15 -0.62 1.37 -1.25 -2.00 0.00 0.00 174.74 172.39 1ugv s PRO 40 N -3.23 3.75 0.00 -0.38 0.04 -1.26 0.18 135.00 134.10 1ugv s PRO 40 Ca 0.04 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1ugv s PRO 40 Cb -0.01 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ugv s PRO 40 CO -0.10 -1.33 0.00 0.45 0.04 0.00 0.00 177.00 176.06 1ugv n SER 41 N 8.22 0.00 0.02 6.66 2.88 -0.33 -4.76 113.62 126.30 1ugv n SER 41 Ca 0.16 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1ugv n SER 41 Cb 0.47 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 1ugv n SER 41 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ugv n GLN 42 N 0.00 0.63 -2.89 -1.46 -0.06 -1.26 -4.90 117.38 107.44 1ugv n GLN 42 Ca 0.00 0.22 -0.35 0.00 -2.00 0.00 0.00 57.00 54.87 1ugv n GLN 42 Cb 0.00 -1.79 -0.07 0.00 -4.06 0.00 0.00 30.24 24.32 1ugv n GLN 42 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1ugv s GLU 43 N -2.86 4.33 -0.07 3.69 0.41 -1.26 -5.01 118.70 117.92 1ugv s GLU 43 Ca -0.04 1.10 -0.30 0.00 -0.41 0.00 0.00 54.97 55.33 1ugv s GLU 43 Cb 0.09 -2.53 -0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1ugv s GLU 43 CO 0.82 0.16 1.23 -1.25 -0.49 0.00 0.00 175.26 175.73 1ugv s PRO 44 N -2.59 4.32 -0.20 0.39 0.04 -1.26 -2.66 135.00 133.04 1ugv s PRO 44 Ca 0.54 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1ugv s PRO 44 Cb -0.14 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1ugv s PRO 44 CO 0.18 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1ugv n GLY 45 N 3.44 0.50 2.96 0.56 0.00 -1.26 -5.03 105.19 106.37 1ugv n GLY 45 Ca 0.12 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 1ugv n GLY 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ugv s TRP 46 N -2.08 1.34 0.19 1.61 0.52 -1.09 -2.34 118.94 117.10 1ugv s TRP 46 Ca 0.00 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.62 1ugv s TRP 46 Cb 0.00 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.23 1ugv s TRP 46 CO 0.00 -0.34 0.32 -0.51 0.02 0.00 0.00 176.95 176.44 1ugv s LEU 47 N 1.06 4.32 -0.32 2.99 1.43 0.46 -1.19 118.68 127.42 1ugv s LEU 47 Ca -0.08 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1ugv s LEU 47 Cb -0.14 -2.87 0.10 0.00 0.03 0.00 0.00 46.19 43.30 1ugv s LEU 47 CO -0.01 -0.01 0.09 -0.70 0.23 0.00 0.00 176.35 175.95 1ugv s GLU 48 N -3.59 0.96 0.25 1.70 2.12 0.47 0.21 118.70 120.82 1ugv s GLU 48 Ca 0.34 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 54.32 1ugv s GLU 48 Cb -0.10 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1ugv s GLU 48 CO 0.29 -0.98 0.01 0.41 -0.54 0.00 0.00 175.26 174.45 1ugv n GLY 49 N 4.62 3.84 3.14 -1.50 0.00 -1.21 -3.15 105.19 110.93 1ugv n GLY 49 Ca 0.00 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.40 1ugv n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugv s THR 50 N -1.88 2.57 -0.40 2.61 2.01 -0.46 -2.86 115.64 117.23 1ugv s THR 50 Ca 0.01 -1.37 -0.05 0.00 0.31 0.00 0.00 61.69 60.60 1ugv s THR 50 Cb -0.00 -2.42 0.10 0.00 0.01 0.00 0.00 72.50 70.18 1ugv s THR 50 CO 0.00 0.04 0.20 -0.22 -0.69 0.00 0.00 174.62 173.96 1ugv s LEU 51 N 1.21 5.11 -0.56 4.42 2.96 0.34 -2.42 118.68 129.73 1ugv s LEU 51 Ca -0.05 -1.83 -0.07 0.00 -0.22 0.00 0.00 54.13 51.97 1ugv s LEU 51 Cb -0.19 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1ugv s LEU 51 CO -0.04 -0.52 0.62 0.59 -1.32 0.00 0.00 176.35 175.67 1ugv n ASN 52 N 4.69 -7.57 -3.71 3.68 3.02 -1.26 -2.76 115.26 111.35 1ugv n ASN 52 Ca -0.06 0.20 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 1ugv n ASN 52 Cb 0.42 -5.13 -0.05 0.00 -0.61 0.00 0.00 39.78 34.41 1ugv n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ugv n GLY 53 N -1.08 -0.40 2.78 7.41 0.00 -1.26 -4.86 105.19 107.78 1ugv n GLY 53 Ca 0.05 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1ugv n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ugv s LYS 54 N -6.13 -0.01 -0.08 1.61 2.20 -1.11 -5.14 119.74 111.07 1ugv s LYS 54 Ca 0.54 0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 56.58 1ugv s LYS 54 Cb -0.31 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 35.62 1ugv s LYS 54 CO 0.66 -0.30 0.06 0.99 -0.36 0.00 0.00 175.35 176.40 1ugv s THR 55 N 2.14 4.79 0.00 3.43 2.01 -1.26 0.13 115.64 126.87 1ugv s THR 55 Ca 0.03 -0.12 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1ugv s THR 55 Cb -0.12 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.32 1ugv s THR 55 CO -0.05 0.57 0.02 0.61 -0.69 0.00 0.00 174.62 175.08 1ugv n GLY 56 N 1.92 1.38 3.84 4.40 0.00 -1.13 -4.99 105.19 110.61 1ugv n GLY 56 Ca -0.18 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1ugv n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ugv s LEU 57 N 0.00 4.30 -0.00 0.99 1.43 0.29 -3.30 118.68 122.40 1ugv s LEU 57 Ca 0.00 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.32 1ugv s LEU 57 Cb -0.00 -3.48 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1ugv s LEU 57 CO 0.00 0.04 -0.06 -0.63 0.23 0.00 0.00 176.35 175.93 1ugv s ILE 58 N -1.56 0.45 -0.32 -0.59 1.01 0.57 -1.48 121.20 119.28 1ugv s ILE 58 Ca 0.42 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 1ugv s ILE 58 Cb -0.15 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.93 1ugv s ILE 58 CO 0.20 0.09 1.36 -2.16 0.00 0.00 0.00 174.94 174.43 1ugv s PRO 59 N -0.23 3.80 0.64 2.79 0.04 -1.26 0.17 135.00 140.95 1ugv s PRO 59 Ca 0.01 1.20 0.37 0.00 0.04 0.00 0.00 61.00 62.62 1ugv s PRO 59 Cb -0.03 -3.94 2.09 0.00 0.04 0.00 0.00 34.50 32.67 1ugv s PRO 59 CO -0.00 -1.27 2.25 1.49 0.04 0.00 0.00 177.00 179.52 1ugv h GLU 60 N 9.84 0.00 -0.73 4.56 4.81 -1.82 0.49 114.58 131.73 1ugv h GLU 60 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1ugv h GLU 60 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ugv h GLU 60 CO 1.05 0.00 0.00 0.27 -0.73 0.00 0.00 179.01 179.60 1ugv n ASN 61 N -3.33 2.97 -0.11 1.04 6.94 -1.26 -3.35 115.26 118.16 1ugv n ASN 61 Ca -0.02 -2.36 0.00 0.00 -0.02 0.00 0.00 54.58 52.18 1ugv n ASN 61 Cb 0.15 -0.53 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 1ugv n ASN 61 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ugv n TYR 62 N 0.33 0.00 -4.42 -2.53 4.02 0.17 -4.93 117.16 109.80 1ugv n TYR 62 Ca 0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.81 1ugv n TYR 62 Cb 0.62 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.83 1ugv n TYR 62 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1ugv s VAL 63 N 0.00 0.92 -0.39 -0.72 -7.23 -1.13 0.53 120.40 112.38 1ugv s VAL 63 Ca 0.00 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 1ugv s VAL 63 Cb 0.00 -2.69 0.17 0.00 0.56 0.00 0.00 36.38 34.41 1ugv s VAL 63 CO 0.00 0.00 0.48 -0.70 -0.31 0.00 0.00 175.10 174.57 1ugv s GLU 64 N -3.91 0.73 0.17 4.82 2.12 0.18 -4.64 118.70 118.18 1ugv s GLU 64 Ca 0.35 -0.68 -0.31 0.00 0.36 0.00 0.00 54.97 54.70 1ugv s GLU 64 Cb 0.08 -0.41 -0.17 0.00 0.26 0.00 0.00 34.13 33.89 1ugv s GLU 64 CO 0.15 -1.20 0.73 1.19 -0.54 0.00 0.00 175.26 175.59 1ugv n PHE 65 N 4.23 0.08 -3.17 5.30 3.01 -1.26 -2.55 117.46 123.09 1ugv n PHE 65 Ca 0.12 0.93 -0.19 0.00 1.01 0.00 0.00 57.45 59.31 1ugv n PHE 65 Cb 0.50 -2.05 0.01 0.00 -0.01 0.00 0.00 39.48 37.93 1ugv n PHE 65 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ugv s LEU 66 N 1.96 3.76 -0.08 4.37 1.43 -0.43 -4.87 118.68 124.82 1ugv s LEU 66 Ca 0.69 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 53.31 1ugv s LEU 66 Cb -0.95 -2.80 0.12 0.00 0.03 0.00 0.00 46.19 42.58 1ugv s LEU 66 CO 0.56 -0.65 1.02 -0.94 0.23 0.00 0.00 176.35 176.58 1ugv s SER 67 N -4.26 -0.27 0.10 2.29 1.04 -1.26 -4.72 113.70 106.62 1ugv s SER 67 Ca 0.50 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.93 1ugv s SER 67 Cb -0.10 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 1ugv s SER 67 CO 0.33 -0.47 0.22 -0.83 0.98 0.00 0.00 173.24 173.48 1ugv s GLY 68 N -2.38 1.96 -0.22 7.32 0.00 -1.26 -5.06 107.32 107.68 1ugv s GLY 68 Ca 0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 1ugv s GLY 68 CO -0.07 -0.95 1.31 2.56 0.00 0.00 0.00 173.10 175.95 1ugv s PRO 69 N -2.82 4.07 -0.26 2.90 0.04 -1.26 -4.98 135.00 132.69 1ugv s PRO 69 Ca 0.34 1.49 -0.21 0.00 0.04 0.00 0.00 61.00 62.66 1ugv s PRO 69 Cb -0.12 -3.84 0.07 0.00 0.04 0.00 0.00 34.50 30.65 1ugv s PRO 69 CO 0.27 -0.92 0.68 -1.12 0.04 0.00 0.00 177.00 175.94 1ugv s SER 70 N 2.50 -0.76 0.10 6.66 0.01 -1.26 -5.17 113.70 115.78 1ugv s SER 70 Ca 0.57 1.40 0.02 0.00 1.31 0.00 0.00 55.95 59.24 1ugv s SER 70 Cb -0.20 1.38 -0.04 0.00 0.21 0.00 0.00 66.02 67.37 1ugv s SER 70 CO 0.19 -0.24 0.22 -0.55 0.41 0.00 0.00 173.24 173.28 1ugv s SER 71 N 0.71 6.20 0.00 2.44 0.15 -1.26 -5.29 113.70 116.65 1ugv s SER 71 Ca -0.03 0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.81 1ugv s SER 71 Cb -0.05 -1.85 0.12 0.00 -1.71 0.00 0.00 66.02 62.53 1ugv s SER 71 CO -0.05 0.12 0.61 0.61 1.20 0.00 0.00 173.24 175.73