#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vqi s ILE 2 N 0.00 4.94 -0.21 2.02 1.01 -1.26 -5.04 121.20 122.66 1vqi s ILE 2 Ca 0.00 1.70 -0.19 0.00 0.00 0.00 0.00 60.65 62.16 1vqi s ILE 2 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 1vqi s ILE 2 CO 0.00 0.15 0.53 -0.75 0.00 0.00 0.00 174.94 174.87 1vqi s LYS 3 N 1.31 4.17 -0.02 2.79 2.20 -1.26 -4.09 119.74 124.84 1vqi s LYS 3 Ca 0.42 0.42 0.07 0.00 -0.36 0.00 0.00 55.97 56.52 1vqi s LYS 3 Cb -0.18 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1vqi s LYS 3 CO 0.19 -0.19 -0.23 0.08 -0.36 0.00 0.00 175.35 174.84 1vqi s VAL 4 N 1.79 1.80 -0.05 4.02 1.01 -0.41 -2.22 120.40 126.33 1vqi s VAL 4 Ca 0.24 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1vqi s VAL 4 Cb -0.15 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1vqi s VAL 4 CO 0.09 0.51 -0.13 -0.70 0.00 0.00 0.00 175.10 174.87 1vqi s GLU 5 N -0.54 1.60 -0.30 2.72 2.12 0.81 -0.84 118.70 124.29 1vqi s GLU 5 Ca 0.09 -0.46 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 1vqi s GLU 5 Cb -0.09 -1.36 -0.03 0.00 0.26 0.00 0.00 34.13 32.91 1vqi s GLU 5 CO -0.01 0.11 0.33 0.42 -0.54 0.00 0.00 175.26 175.57 1vqi s ILE 6 N 0.39 5.20 0.66 -3.70 -1.09 -0.60 -1.04 121.20 121.03 1vqi s ILE 6 Ca -0.09 0.30 -0.11 0.00 -2.23 0.00 0.00 60.65 58.52 1vqi s ILE 6 Cb -0.13 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1vqi s ILE 6 CO 0.03 0.09 1.05 -0.54 -1.23 0.00 0.00 174.94 174.34 1vqi s LYS 7 N 1.99 3.25 0.47 2.79 -0.14 -1.26 -1.86 119.74 124.98 1vqi s LYS 7 Ca 0.12 0.69 0.23 0.00 -1.36 0.00 0.00 55.97 55.65 1vqi s LYS 7 Cb -0.16 -2.05 1.24 0.00 -1.68 0.00 0.00 37.83 35.19 1vqi s LYS 7 CO 0.11 -0.80 1.87 -1.35 -0.76 0.00 0.00 175.35 174.41 1vqi h PRO 8 N -0.49 0.23 0.00 -1.68 0.11 -1.98 -1.43 132.00 126.76 1vqi h PRO 8 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vqi h PRO 8 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1vqi h PRO 8 CO 0.62 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 1vqi n SER 9 N -4.42 0.00 -0.73 -2.05 3.41 -1.26 -3.62 113.62 104.95 1vqi n SER 9 Ca 0.19 0.10 0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1vqi n SER 9 Cb 0.80 -0.34 0.21 0.00 -0.26 0.00 0.00 64.21 64.62 1vqi n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vqi n GLN 10 N -1.34 2.82 0.00 4.33 6.02 -0.54 -4.75 117.38 123.92 1vqi n GLN 10 Ca 0.10 -2.52 0.08 0.00 -0.01 0.00 0.00 57.00 54.65 1vqi n GLN 10 Cb 0.21 -1.61 0.49 0.00 1.02 0.00 0.00 30.24 30.35 1vqi n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vqi n ALA 11 N -0.24 2.33 -2.43 -1.58 0.00 -1.24 -4.60 120.51 112.76 1vqi n ALA 11 Ca 0.17 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1vqi n ALA 11 Cb 0.70 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 1vqi n ALA 11 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1vqi s GLN 12 N -2.00 1.55 0.29 0.00 -1.52 -1.26 -4.85 119.66 111.87 1vqi s GLN 12 Ca 0.25 -1.71 0.09 0.00 -1.95 0.00 0.00 55.36 52.05 1vqi s GLN 12 Cb 0.11 -1.54 -0.04 0.00 -0.22 0.00 0.00 33.01 31.32 1vqi s GLN 12 CO 0.19 0.28 0.01 -0.59 -0.25 0.00 0.00 175.29 174.93 1vqi s PHE 13 N -2.68 2.66 0.29 0.91 -0.12 -1.26 -4.62 117.98 113.15 1vqi s PHE 13 Ca 0.27 -0.28 0.10 0.00 -0.05 0.00 0.00 56.93 56.97 1vqi s PHE 13 Cb -0.03 -1.30 -0.05 0.00 -0.63 0.00 0.00 43.02 41.01 1vqi s PHE 13 CO 0.12 0.56 -0.06 0.95 -0.05 0.00 0.00 175.22 176.74 1vqi s THR 14 N -2.38 2.98 -0.08 -4.49 -4.23 -0.41 -4.93 115.64 102.11 1vqi s THR 14 Ca 0.33 -2.07 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1vqi s THR 14 Cb -0.05 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1vqi s THR 14 CO 0.20 -0.35 -0.20 -0.89 -0.54 0.00 0.00 174.62 172.85 1vqi s THR 15 N -2.42 1.69 0.11 3.99 2.01 -1.26 -0.63 115.64 119.13 1vqi s THR 15 Ca 0.32 -0.82 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1vqi s THR 15 Cb -0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1vqi s THR 15 CO 0.18 0.48 -0.07 0.00 -0.69 0.00 0.00 174.62 174.52 1vqi s ARG 16 N 0.35 2.24 0.11 4.92 1.70 -0.33 -4.95 118.95 122.99 1vqi s ARG 16 Ca -0.14 -0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 54.12 1vqi s ARG 16 Cb -0.16 -2.36 -0.04 0.00 -0.57 0.00 0.00 34.95 31.82 1vqi s ARG 16 CO 0.06 0.51 0.02 -1.12 -1.08 0.00 0.00 175.30 173.69 1vqi s SER 17 N -2.29 0.49 0.00 -2.89 0.01 -1.26 -0.83 113.70 106.93 1vqi s SER 17 Ca 0.23 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1vqi s SER 17 Cb -0.11 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1vqi s SER 17 CO 0.15 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.74 1vqi n GLY 18 N -0.06 -1.24 3.10 3.44 0.00 -1.11 -5.03 105.19 104.29 1vqi n GLY 18 Ca -0.08 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 1vqi n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vqi s VAL 19 N -3.00 1.51 1.13 1.61 1.01 -1.26 -1.58 120.40 119.82 1vqi s VAL 19 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1vqi s VAL 19 Cb 0.00 -1.34 0.26 0.00 0.00 0.00 0.00 36.38 35.30 1vqi s VAL 19 CO 0.00 0.44 1.04 -0.94 0.00 0.00 0.00 175.10 175.64 1vqi s SER 20 N 0.56 1.35 0.31 3.32 1.04 0.28 -4.90 113.70 115.64 1vqi s SER 20 Ca -0.16 1.39 0.06 0.00 0.48 0.00 0.00 55.95 57.72 1vqi s SER 20 Cb -0.17 -2.15 0.72 0.00 0.10 0.00 0.00 66.02 64.53 1vqi s SER 20 CO 0.05 -3.95 1.79 0.08 0.98 0.00 0.00 173.24 172.19 1vqi h ARG 21 N -2.45 0.77 -0.59 4.02 -0.00 -2.01 -2.51 114.38 111.60 1vqi h ARG 21 Ca -0.60 -0.05 -0.33 0.00 -0.00 0.00 0.00 59.98 59.00 1vqi h ARG 21 Cb 1.34 -0.17 -0.20 0.00 -0.00 0.00 0.00 29.97 30.94 1vqi h ARG 21 CO 0.53 0.51 0.10 0.00 -0.00 0.00 0.00 179.97 181.11 1vqi n GLN 22 N -4.73 2.14 0.00 0.08 10.64 -1.26 -4.98 117.38 119.28 1vqi n GLN 22 Ca 0.22 -3.25 0.00 0.00 -1.83 0.00 0.00 57.00 52.14 1vqi n GLN 22 Cb 0.54 -1.98 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 1vqi n GLN 22 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1vqi n GLY 23 N -1.08 2.48 3.73 2.61 0.00 -0.95 -5.08 105.19 106.91 1vqi n GLY 23 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1vqi n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vqi s LYS 24 N -0.94 4.39 0.49 1.61 2.20 -1.26 -4.69 119.74 121.53 1vqi s LYS 24 Ca 0.00 2.01 -0.23 0.00 -0.36 0.00 0.00 55.97 57.39 1vqi s LYS 24 Cb 0.00 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 33.03 1vqi s LYS 24 CO 0.00 -0.26 1.23 -2.14 -0.36 0.00 0.00 175.35 173.82 1vqi s PRO 25 N 0.19 3.56 0.07 4.03 0.02 -1.26 -0.56 135.00 141.05 1vqi s PRO 25 Ca 0.58 1.94 0.01 0.00 0.02 0.00 0.00 61.00 63.55 1vqi s PRO 25 Cb -0.35 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.75 1vqi s PRO 25 CO 0.36 -0.76 -0.06 1.52 -0.33 0.00 0.00 177.00 177.73 1vqi s TYR 26 N -1.45 0.71 -0.01 6.54 -0.85 -0.61 -4.88 117.35 116.79 1vqi s TYR 26 Ca 0.66 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 1vqi s TYR 26 Cb -0.33 -0.44 0.01 0.00 0.38 0.00 0.00 41.96 41.58 1vqi s TYR 26 CO 0.40 -0.20 0.01 -1.12 -1.52 0.00 0.00 175.55 173.11 1vqi s SER 27 N -2.66 0.06 -0.12 -0.18 0.01 -1.26 -2.74 113.70 106.82 1vqi s SER 27 Ca 0.05 0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.34 1vqi s SER 27 Cb 0.02 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.23 1vqi s SER 27 CO -0.05 -0.05 -0.19 -0.76 0.41 0.00 0.00 173.24 172.60 1vqi s LEU 28 N 0.46 1.94 -0.20 2.44 1.43 -0.01 -4.99 118.68 119.74 1vqi s LEU 28 Ca -0.04 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1vqi s LEU 28 Cb -0.06 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 1vqi s LEU 28 CO -0.01 0.06 0.20 0.20 0.23 0.00 0.00 176.35 177.03 1vqi s ASN 29 N 0.82 6.26 -0.04 2.29 0.02 -1.26 -1.19 114.94 121.84 1vqi s ASN 29 Ca -0.09 0.29 0.06 0.00 -1.02 0.00 0.00 52.86 52.10 1vqi s ASN 29 Cb -0.16 -2.13 -0.01 0.00 0.02 0.00 0.00 41.25 38.97 1vqi s ASN 29 CO -0.00 0.10 -0.23 -1.61 0.02 0.00 0.00 177.10 175.37 1vqi s GLU 30 N 0.70 2.15 0.08 -0.60 2.02 0.20 -0.88 118.70 122.38 1vqi s GLU 30 Ca 0.11 -0.83 0.06 0.00 0.02 0.00 0.00 54.97 54.33 1vqi s GLU 30 Cb -0.13 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1vqi s GLU 30 CO 0.02 0.41 -0.15 -1.14 0.02 0.00 0.00 175.26 174.42 1vqi s GLN 31 N -0.28 0.89 0.14 1.61 0.74 0.20 -1.28 119.66 121.67 1vqi s GLN 31 Ca 0.01 -1.03 0.02 0.00 0.05 0.00 0.00 55.36 54.42 1vqi s GLN 31 Cb -0.11 -0.90 -0.04 0.00 1.10 0.00 0.00 33.01 33.06 1vqi s GLN 31 CO 0.02 0.20 0.27 -0.51 -0.55 0.00 0.00 175.29 174.71 1vqi s LEU 32 N -1.89 4.32 0.27 3.68 1.43 -1.26 -0.29 118.68 124.94 1vqi s LEU 32 Ca 0.01 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 1vqi s LEU 32 Cb -0.09 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1vqi s LEU 32 CO 0.03 0.06 0.54 0.00 0.23 0.00 0.00 176.35 177.21 1vqi s TYR 34 N -3.85 2.88 -0.08 0.00 2.02 -0.20 -1.27 117.35 116.85 1vqi s TYR 34 Ca 0.20 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.51 1vqi s TYR 34 Cb -0.02 -1.85 -0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1vqi s TYR 34 CO 0.10 -0.08 -0.23 0.08 -1.57 0.00 0.00 175.55 173.84 1vqi s VAL 35 N 0.17 1.94 -0.43 0.71 1.01 -0.51 -0.13 120.40 123.16 1vqi s VAL 35 Ca -0.05 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 1vqi s VAL 35 Cb -0.15 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1vqi s VAL 35 CO 0.04 0.54 0.75 -0.62 0.00 0.00 0.00 175.10 175.81 1vqi s ASP 36 N 0.15 6.42 -0.21 3.32 -1.08 -0.94 -1.07 116.67 123.26 1vqi s ASP 36 Ca -0.12 -0.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.00 1vqi s ASP 36 Cb -0.16 -2.37 0.68 0.00 -1.46 0.00 0.00 42.92 39.61 1vqi s ASP 36 CO 0.06 -0.85 1.59 0.18 0.52 0.00 0.00 175.17 176.67 1vqi n LEU 37 N 6.57 4.81 -0.15 -1.34 4.77 -1.26 -4.58 117.00 125.81 1vqi n LEU 37 Ca 0.02 -2.97 -0.02 0.00 -0.03 0.00 0.00 56.01 53.01 1vqi n LEU 37 Cb 0.48 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1vqi n LEU 37 CO 0.57 0.65 -0.02 0.61 -1.33 0.00 0.00 177.39 177.87 1vqi n GLY 38 N 0.06 0.55 0.15 -0.72 0.00 -1.26 -5.05 105.19 98.91 1vqi n GLY 38 Ca 0.25 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1vqi n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vqi n ASN 39 N 0.76 0.04 0.19 1.61 5.03 -1.26 -4.98 115.26 116.65 1vqi n ASN 39 Ca -0.02 -1.04 0.03 0.00 0.87 0.00 0.00 54.58 54.43 1vqi n ASN 39 Cb 0.10 -0.03 0.41 0.00 -1.02 0.00 0.00 39.78 39.24 1vqi n ASN 39 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1vqi h GLU 40 N 0.00 0.03 -4.80 3.52 5.08 -2.04 -3.43 114.58 112.95 1vqi h GLU 40 Ca -0.01 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 1vqi h GLU 40 Cb 0.05 -0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.10 1vqi h GLU 40 CO 0.01 0.31 -0.73 0.71 -1.00 0.00 0.00 179.01 178.31 1vqi s TYR 41 N -4.42 0.89 0.63 4.33 2.02 -1.26 -5.15 117.35 114.40 1vqi s TYR 41 Ca -0.04 -0.61 -0.18 0.00 -0.37 0.00 0.00 57.07 55.88 1vqi s TYR 41 Cb 0.15 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 1vqi s TYR 41 CO 0.72 -0.05 0.90 -2.30 -1.57 0.00 0.00 175.55 173.25 1vqi n PRO 42 N 0.92 0.74 -4.11 -1.71 -0.02 -1.26 -4.79 135.00 124.77 1vqi n PRO 42 Ca -0.19 0.30 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 1vqi n PRO 42 Cb 0.56 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 1vqi n PRO 42 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1vqi s VAL 43 N -1.61 4.20 0.01 -1.45 -7.23 -0.23 -4.85 120.40 109.24 1vqi s VAL 43 Ca 0.75 -1.05 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1vqi s VAL 43 Cb -0.40 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1vqi s VAL 43 CO 0.48 0.02 1.07 -0.22 -0.31 0.00 0.00 175.10 176.14 1vqi s LEU 44 N -2.66 4.36 -0.02 1.32 2.96 -1.26 -1.42 118.68 121.96 1vqi s LEU 44 Ca 0.28 1.79 0.03 0.00 -0.22 0.00 0.00 54.13 56.01 1vqi s LEU 44 Cb -0.11 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1vqi s LEU 44 CO 0.21 -0.36 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.09 1vqi s VAL 45 N 1.14 0.79 -0.00 1.68 1.01 -0.39 -4.97 120.40 119.65 1vqi s VAL 45 Ca 0.54 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 1vqi s VAL 45 Cb -0.24 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1vqi s VAL 45 CO 0.28 0.24 0.56 -0.54 0.00 0.00 0.00 175.10 175.64 1vqi s LYS 46 N 0.15 4.26 -0.11 2.72 1.02 -1.26 -1.30 119.74 125.22 1vqi s LYS 46 Ca -0.02 0.68 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1vqi s LYS 46 Cb -0.08 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1vqi s LYS 46 CO 0.00 0.43 -0.15 0.08 -0.92 0.00 0.00 175.35 174.79 1vqi s VAL 47 N -0.36 2.90 -0.25 3.17 1.01 0.61 -4.99 120.40 122.49 1vqi s VAL 47 Ca 0.30 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1vqi s VAL 47 Cb -0.18 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1vqi s VAL 47 CO 0.17 0.54 0.15 -0.89 0.00 0.00 0.00 175.10 175.07 1vqi s THR 48 N 0.09 5.18 0.65 3.92 2.01 -1.26 -0.63 115.64 125.60 1vqi s THR 48 Ca -0.07 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 1vqi s THR 48 Cb -0.15 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 1vqi s THR 48 CO 0.05 0.33 1.05 -0.76 -0.69 0.00 0.00 174.62 174.59 1vqi s LEU 49 N 1.26 3.24 0.51 4.42 1.43 -0.06 -4.78 118.68 124.70 1vqi s LEU 49 Ca 0.07 1.58 -0.08 0.00 -1.03 0.00 0.00 54.13 54.67 1vqi s LEU 49 Cb -0.14 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 1vqi s LEU 49 CO 0.06 -1.18 0.85 -1.81 0.23 0.00 0.00 176.35 174.49 1vqi s ASP 50 N -3.72 6.30 0.23 2.29 1.01 -1.26 -4.66 116.67 116.86 1vqi s ASP 50 Ca 0.58 1.10 -0.31 0.00 0.71 0.00 0.00 52.55 54.62 1vqi s ASP 50 Cb -0.13 -2.32 -0.14 0.00 1.01 0.00 0.00 42.92 41.34 1vqi s ASP 50 CO 0.51 -0.63 1.28 1.21 0.21 0.00 0.00 175.17 177.75 1vqi n GLU 51 N -2.23 1.71 -0.93 8.23 2.13 -1.26 -2.18 120.64 126.09 1vqi n GLU 51 Ca 0.02 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1vqi n GLU 51 Cb 0.55 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.08 1vqi n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vqi n GLY 52 N 1.91 0.52 3.74 8.31 0.00 -1.26 -5.01 105.19 113.41 1vqi n GLY 52 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1vqi n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vqi s GLN 53 N -0.45 4.14 1.01 1.61 0.74 -0.93 -5.10 119.66 120.69 1vqi s GLN 53 Ca 0.00 -0.11 -0.12 0.00 0.05 0.00 0.00 55.36 55.18 1vqi s GLN 53 Cb 0.00 -3.40 0.19 0.00 1.10 0.00 0.00 33.01 30.91 1vqi s GLN 53 CO 0.00 0.33 1.08 -1.25 -0.55 0.00 0.00 175.29 174.90 1vqi s PRO 54 N 0.25 0.34 0.38 1.67 0.04 -1.26 -4.84 135.00 131.58 1vqi s PRO 54 Ca 0.11 0.91 -0.27 0.00 0.04 0.00 0.00 61.00 61.79 1vqi s PRO 54 Cb -0.12 -1.70 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 1vqi s PRO 54 CO 0.00 -2.89 1.36 0.00 0.04 0.00 0.00 177.00 175.51 1vqi s ALA 55 N -2.73 3.40 0.29 8.56 0.00 -1.26 -4.96 121.76 125.07 1vqi s ALA 55 Ca 0.66 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.67 1vqi s ALA 55 Cb -0.21 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 1vqi s ALA 55 CO 0.60 -0.87 1.51 0.71 0.00 0.00 0.00 175.76 177.71 1vqi s TYR 56 N -1.18 2.84 0.66 0.00 2.02 -1.26 -5.02 117.35 115.41 1vqi s TYR 56 Ca 0.54 0.95 -0.14 0.00 -0.37 0.00 0.00 57.07 58.05 1vqi s TYR 56 Cb -0.41 -3.96 -0.00 0.00 -0.40 0.00 0.00 41.96 37.19 1vqi s TYR 56 CO 0.54 -3.11 1.09 0.00 -1.57 0.00 0.00 175.55 172.51 1vqi s ALA 57 N -0.22 2.51 0.33 3.71 0.00 -1.26 -4.78 121.76 122.06 1vqi s ALA 57 Ca 0.60 0.45 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 1vqi s ALA 57 Cb -0.45 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.25 1vqi s ALA 57 CO 0.49 -1.24 1.12 -2.30 0.00 0.00 0.00 175.76 173.83 1vqi n PRO 58 N -2.52 1.65 -1.74 0.00 -0.02 -1.26 -4.77 135.00 126.34 1vqi n PRO 58 Ca 0.10 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1vqi n PRO 58 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1vqi n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vqi n GLY 59 N 1.04 -0.43 3.87 -1.23 0.00 -0.78 -4.96 105.19 102.70 1vqi n GLY 59 Ca 0.08 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 1vqi n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vqi s LEU 60 N 0.00 4.42 0.09 0.99 1.43 -1.26 -1.55 118.68 122.80 1vqi s LEU 60 Ca 0.00 0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1vqi s LEU 60 Cb 0.00 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1vqi s LEU 60 CO 0.00 0.37 0.04 -0.31 0.23 0.00 0.00 176.35 176.69 1vqi s TYR 61 N -1.06 0.62 0.39 0.29 1.51 -0.02 -2.02 117.35 117.07 1vqi s TYR 61 Ca 0.18 -1.07 0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1vqi s TYR 61 Cb -0.14 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 1vqi s TYR 61 CO 0.08 -0.47 0.09 -0.08 -1.11 0.00 0.00 175.55 174.05 1vqi s THR 62 N -3.97 0.89 -0.13 -0.71 -1.32 -0.25 -1.29 115.64 108.86 1vqi s THR 62 Ca 0.14 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.45 1vqi s THR 62 Cb 0.07 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.53 1vqi s THR 62 CO -0.05 0.00 0.43 -0.69 -2.21 0.00 0.00 174.62 172.10 1vqi s VAL 63 N -3.19 5.22 0.40 5.08 1.01 -1.26 -1.50 120.40 126.17 1vqi s VAL 63 Ca 0.26 0.84 -0.23 0.00 0.00 0.00 0.00 61.98 62.85 1vqi s VAL 63 Cb 0.05 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1vqi s VAL 63 CO 0.14 0.34 0.98 -2.28 0.00 0.00 0.00 175.10 174.27 1vqi s HIS 64 N 0.60 3.36 0.47 5.22 2.46 0.37 -4.89 115.29 122.88 1vqi s HIS 64 Ca 0.23 1.66 0.20 0.00 0.47 0.00 0.00 55.06 57.62 1vqi s HIS 64 Cb -0.14 -2.94 1.20 0.00 -0.13 0.00 0.00 32.58 30.57 1vqi s HIS 64 CO 0.08 -0.20 1.94 -0.07 -2.47 0.00 0.00 174.74 174.02 1vqi h LEU 65 N 2.29 0.23 0.00 8.88 3.38 -1.98 -1.95 115.31 126.16 1vqi h LEU 65 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1vqi h LEU 65 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1vqi h LEU 65 CO 0.62 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.73 1vqi n SER 66 N -4.43 0.00 0.26 -0.43 3.41 -1.26 -2.35 113.62 108.82 1vqi n SER 66 Ca 0.14 0.30 0.17 0.00 -0.26 0.00 0.00 58.87 59.22 1vqi n SER 66 Cb 0.61 -0.36 0.76 0.00 -0.26 0.00 0.00 64.21 64.96 1vqi n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1vqi h SER 67 N 0.00 0.00 -3.20 4.04 0.02 -1.53 -3.45 113.55 109.43 1vqi h SER 67 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1vqi h SER 67 Cb 0.07 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.49 1vqi h SER 67 CO 0.00 0.00 -0.67 -0.36 -1.14 0.00 0.00 176.83 174.66 1vqi s PHE 68 N -3.71 2.93 0.10 3.45 0.08 -0.99 0.47 117.98 120.30 1vqi s PHE 68 Ca 0.00 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 1vqi s PHE 68 Cb 0.10 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1vqi s PHE 68 CO 0.48 0.49 0.29 -1.59 -0.10 0.00 0.00 175.22 174.78 1vqi s LYS 69 N -2.53 0.93 -0.08 0.44 -2.85 -0.73 -4.82 119.74 110.10 1vqi s LYS 69 Ca 0.26 -0.80 -0.24 0.00 -1.00 0.00 0.00 55.97 54.18 1vqi s LYS 69 Cb -0.11 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 1vqi s LYS 69 CO 0.18 -0.32 0.74 0.08 0.10 0.00 0.00 175.35 176.13 1vqi s VAL 70 N -3.67 5.00 1.00 1.79 1.01 -1.26 -0.92 120.40 123.35 1vqi s VAL 70 Ca 0.03 1.52 -0.17 0.00 0.00 0.00 0.00 61.98 63.36 1vqi s VAL 70 Cb 0.03 -4.08 0.21 0.00 0.00 0.00 0.00 36.38 32.55 1vqi s VAL 70 CO -0.10 0.20 1.28 -0.83 0.00 0.00 0.00 175.10 175.65 1vqi s GLY 71 N 0.90 1.74 0.07 4.51 0.00 -0.46 -4.93 107.32 109.15 1vqi s GLY 71 Ca 0.38 -1.15 0.17 0.00 0.00 0.00 0.00 44.72 44.12 1vqi s GLY 71 CO 0.18 -0.36 1.52 0.61 0.00 0.00 0.00 173.10 175.04 1vqi n GLN 72 N -3.93 0.05 -0.33 2.90 10.64 -1.26 -1.95 117.38 123.50 1vqi n GLN 72 Ca 0.15 0.30 0.10 0.00 -1.83 0.00 0.00 57.00 55.72 1vqi n GLN 72 Cb 0.59 -1.60 0.28 0.00 -0.86 0.00 0.00 30.24 28.65 1vqi n GLN 72 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1vqi n PHE 73 N -1.70 0.85 -0.65 2.61 3.72 -1.26 -4.96 117.46 116.06 1vqi n PHE 73 Ca 0.03 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 1vqi n PHE 73 Cb 0.18 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1vqi n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vqi n GLY 74 N 1.32 0.79 3.92 1.37 0.00 -0.82 -5.06 105.19 106.71 1vqi n GLY 74 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1vqi n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vqi s SER 75 N -2.73 6.12 0.34 1.61 1.04 -1.26 -4.82 113.70 113.99 1vqi s SER 75 Ca 0.00 0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.19 1vqi s SER 75 Cb 0.00 -1.76 -0.09 0.00 0.10 0.00 0.00 66.02 64.27 1vqi s SER 75 CO 0.00 -0.02 1.11 -0.22 0.98 0.00 0.00 173.24 175.10 1vqi s LEU 76 N -3.68 4.35 0.10 2.42 2.96 -1.26 -1.35 118.68 122.22 1vqi s LEU 76 Ca 0.34 2.25 0.01 0.00 -0.22 0.00 0.00 54.13 56.51 1vqi s LEU 76 Cb -0.09 -3.87 -0.04 0.00 0.50 0.00 0.00 46.19 42.68 1vqi s LEU 76 CO 0.28 -0.39 -0.05 -0.04 -1.32 0.00 0.00 176.35 174.83 1vqi s MET 77 N -1.95 0.82 -0.10 1.98 -1.94 -0.10 -4.86 119.30 113.15 1vqi s MET 77 Ca 0.51 -1.33 -0.22 0.00 -1.71 0.00 0.00 55.69 52.94 1vqi s MET 77 Cb -0.29 -0.13 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1vqi s MET 77 CO 0.37 -0.05 0.63 0.42 -0.01 0.00 0.00 175.02 176.39 1vqi s ILE 78 N -3.69 5.08 -0.03 2.53 1.01 -1.26 -1.77 121.20 123.08 1vqi s ILE 78 Ca 0.12 1.28 -0.01 0.00 0.00 0.00 0.00 60.65 62.05 1vqi s ILE 78 Cb 0.06 -3.97 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 1vqi s ILE 78 CO -0.05 0.26 -0.01 -0.78 0.00 0.00 0.00 174.94 174.35 1vqi h ASP 79 N 6.83 0.00 -3.68 3.58 3.58 -0.30 -3.47 116.42 122.95 1vqi h ASP 79 Ca -0.40 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.83 1vqi h ASP 79 Cb 1.19 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.95 1vqi h ASP 79 CO 0.76 0.15 -0.63 -0.13 -2.88 0.00 0.00 179.24 176.51 1vqi s ARG 80 N -1.20 0.08 -0.37 0.28 1.81 -1.22 -5.08 118.95 113.26 1vqi s ARG 80 Ca -0.01 0.16 -0.29 0.00 -1.72 0.00 0.00 55.73 53.88 1vqi s ARG 80 Cb 0.00 -0.02 -0.00 0.00 -0.45 0.00 0.00 34.95 34.48 1vqi s ARG 80 CO 0.02 -0.05 1.55 -1.17 -0.68 0.00 0.00 175.30 174.96 1vqi s LEU 81 N 0.34 3.58 -0.18 2.53 2.96 -1.26 -4.28 118.68 122.37 1vqi s LEU 81 Ca -0.02 1.04 -0.05 0.00 -0.22 0.00 0.00 54.13 54.88 1vqi s LEU 81 Cb -0.04 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1vqi s LEU 81 CO -0.01 -1.51 -0.01 -0.13 -1.32 0.00 0.00 176.35 173.37 1vqi s ARG 82 N 5.14 3.67 0.10 1.98 0.52 -1.26 -4.79 118.95 124.31 1vqi s ARG 82 Ca 0.68 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 55.44 1vqi s ARG 82 Cb -0.17 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1vqi s ARG 82 CO 0.33 0.14 -0.00 -0.51 0.02 0.00 0.00 175.30 175.27 1vqi s LEU 83 N 0.65 3.43 0.03 2.53 1.43 -1.26 -0.48 118.68 125.00 1vqi s LEU 83 Ca -0.01 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1vqi s LEU 83 Cb -0.14 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1vqi s LEU 83 CO 0.02 0.17 -0.08 0.68 0.23 0.00 0.00 176.35 177.37 1vqi s VAL 84 N -1.35 0.56 0.39 -1.59 -7.23 -0.56 -4.81 120.40 105.81 1vqi s VAL 84 Ca 0.26 -0.90 -0.27 0.00 -1.81 0.00 0.00 61.98 59.25 1vqi s VAL 84 Cb -0.11 -0.59 -0.10 0.00 0.56 0.00 0.00 36.38 36.14 1vqi s VAL 84 CO 0.18 -0.25 1.47 -2.16 -0.31 0.00 0.00 175.10 174.03 1vqi s PRO 85 N -1.26 4.01 0.00 4.82 0.04 -1.26 -1.09 135.00 140.26 1vqi s PRO 85 Ca -0.07 2.54 0.28 0.00 0.04 0.00 0.00 61.00 63.79 1vqi s PRO 85 Cb -0.08 -2.90 1.64 0.00 0.04 0.00 0.00 34.50 33.21 1vqi s PRO 85 CO 0.00 -0.60 1.99 0.00 0.04 0.00 0.00 177.00 178.43