#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvz s ARG 2 N 0.00 0.98 -0.23 0.03 1.81 -0.42 -4.92 118.95 116.20 2bvz s ARG 2 Ca 0.00 -1.30 -0.10 0.00 -1.72 0.00 0.00 55.73 52.61 2bvz s ARG 2 Cb 0.00 -0.67 -0.05 0.00 -0.45 0.00 0.00 34.95 33.79 2bvz s ARG 2 CO 0.00 0.10 0.14 0.50 -0.68 0.00 0.00 175.30 175.37 2bvz s ARG 3 N -3.14 4.09 0.24 3.54 3.52 -1.26 -0.83 118.95 125.11 2bvz s ARG 3 Ca 0.11 -0.26 0.05 0.00 -0.13 0.00 0.00 55.73 55.49 2bvz s ARG 3 Cb -0.01 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 2bvz s ARG 3 CO 0.01 0.13 -0.04 0.71 -0.81 0.00 0.00 175.30 175.30 2bvz s TYR 4 N 0.84 1.68 -0.15 5.12 2.02 0.17 -1.63 117.35 125.40 2bvz s TYR 4 Ca 0.07 -0.81 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 2bvz s TYR 4 Cb -0.13 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 2bvz s TYR 4 CO 0.03 0.11 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.73 2bvz s GLU 5 N -3.79 3.15 -0.25 -0.62 2.02 -0.09 -0.72 118.70 118.40 2bvz s GLU 5 Ca 0.27 -0.78 -0.06 0.00 0.02 0.00 0.00 54.97 54.42 2bvz s GLU 5 Cb 0.04 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 2bvz s GLU 5 CO 0.09 -0.01 0.03 0.08 0.02 0.00 0.00 175.26 175.47 2bvz s VAL 6 N 0.86 3.89 -0.31 2.63 1.01 0.73 -1.88 120.40 127.33 2bvz s VAL 6 Ca -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 2bvz s VAL 6 Cb -0.15 -2.86 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2bvz s VAL 6 CO -0.01 0.30 0.14 0.20 0.00 0.00 0.00 175.10 175.72 2bvz s ASN 7 N 1.54 5.47 -0.06 3.32 0.01 -0.17 -0.89 114.94 124.16 2bvz s ASN 7 Ca 0.05 -0.55 0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2bvz s ASN 7 Cb -0.15 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.51 2bvz s ASN 7 CO 0.01 -0.19 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.55 2bvz s ILE 8 N 1.59 2.31 -0.16 0.60 1.01 -0.00 -1.44 121.20 125.11 2bvz s ILE 8 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2bvz s ILE 8 Cb -0.17 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2bvz s ILE 8 CO 0.06 0.57 -0.11 -0.69 0.00 0.00 0.00 174.94 174.77 2bvz s VAL 9 N -0.29 3.11 0.27 2.92 1.01 -0.44 -0.35 120.40 126.62 2bvz s VAL 9 Ca 0.01 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.46 2bvz s VAL 9 Cb -0.13 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2bvz s VAL 9 CO 0.03 0.50 0.01 -0.76 0.00 0.00 0.00 175.10 174.87 2bvz s LEU 10 N 0.74 3.24 0.01 3.92 1.43 1.00 -0.33 118.68 128.69 2bvz s LEU 10 Ca -0.05 -0.62 -0.37 0.00 -1.03 0.00 0.00 54.13 52.07 2bvz s LEU 10 Cb -0.15 -1.76 -0.16 0.00 0.03 0.00 0.00 46.19 44.14 2bvz s LEU 10 CO 0.02 -0.01 1.46 -3.20 0.23 0.00 0.00 176.35 174.85 2bvz n ASN 11 N -0.92 1.98 0.01 2.29 2.85 0.21 -1.08 115.26 120.59 2bvz n ASN 11 Ca -0.06 1.10 0.11 0.00 -0.11 0.00 0.00 54.58 55.62 2bvz n ASN 11 Cb 0.59 -1.20 0.48 0.00 1.24 0.00 0.00 39.78 40.89 2bvz n ASN 11 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2bvz n PRO 12 N 3.33 0.02 -0.99 1.20 -0.04 -1.26 -3.84 135.00 133.43 2bvz n PRO 12 Ca 0.20 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.77 2bvz n PRO 12 Cb 0.19 -1.52 0.35 0.00 -0.04 0.00 0.00 33.50 32.47 2bvz n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2bvz n ASN 13 N -1.55 5.22 -4.83 3.54 3.02 -1.26 -4.91 115.26 114.49 2bvz n ASN 13 Ca 0.05 -3.12 -0.35 0.00 -0.03 0.00 0.00 54.58 51.13 2bvz n ASN 13 Cb 0.27 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.66 2bvz n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bvz s LEU 14 N -2.92 4.30 0.53 3.41 1.43 -1.25 -5.07 118.68 119.12 2bvz s LEU 14 Ca 0.55 1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.87 2bvz s LEU 14 Cb 0.43 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 2bvz s LEU 14 CO 0.15 0.02 0.85 1.51 0.23 0.00 0.00 176.35 179.11 2bvz s ASP 15 N -1.77 6.05 0.56 2.29 3.84 -1.26 -4.81 116.67 121.58 2bvz s ASP 15 Ca 0.43 0.91 0.35 0.00 -0.00 0.00 0.00 52.55 54.24 2bvz s ASP 15 Cb -0.15 -2.10 1.49 0.00 -1.38 0.00 0.00 42.92 40.77 2bvz s ASP 15 CO 0.20 -0.76 1.77 0.06 -0.00 0.00 0.00 175.17 176.44 2bvz h GLN 16 N 0.04 0.00 -0.06 2.11 3.07 -1.98 -0.83 115.11 117.46 2bvz h GLN 16 Ca -0.46 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.26 2bvz h GLN 16 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.78 2bvz h GLN 16 CO 0.61 0.00 -0.04 1.03 0.09 0.00 0.00 178.83 180.53 2bvz h SER 17 N 0.00 0.14 -0.19 0.06 0.87 -2.00 -1.95 113.55 110.48 2bvz h SER 17 Ca 0.50 -0.44 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 2bvz h SER 17 Cb 2.17 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 64.08 2bvz h SER 17 CO -0.01 0.55 -0.29 1.56 -0.53 0.00 0.00 176.83 178.11 2bvz h GLN 18 N -0.28 0.68 -0.24 2.24 4.20 -1.56 -2.88 115.11 117.28 2bvz h GLN 18 Ca 0.01 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2bvz h GLN 18 Cb 0.50 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2bvz h GLN 18 CO 0.01 0.89 0.15 1.25 -0.67 0.00 0.00 178.83 180.47 2bvz h LEU 19 N 0.59 0.27 -1.19 1.46 7.12 -1.27 -1.59 115.31 120.70 2bvz h LEU 19 Ca 0.07 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.08 2bvz h LEU 19 Cb 0.79 -0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.81 2bvz h LEU 19 CO 0.07 0.21 0.55 0.00 -0.13 0.00 0.00 178.44 179.14 2bvz h ALA 20 N 1.07 1.43 -0.17 1.25 0.00 -1.25 -1.83 119.26 119.76 2bvz h ALA 20 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2bvz h ALA 20 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2bvz h ALA 20 CO -0.02 0.52 0.02 1.25 0.00 0.00 0.00 179.25 181.02 2bvz h LEU 21 N 1.11 0.28 -1.03 0.00 5.85 -1.25 -2.04 115.31 118.23 2bvz h LEU 21 Ca 0.31 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2bvz h LEU 21 Cb -0.09 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2bvz h LEU 21 CO -0.07 0.49 0.64 -0.33 -0.34 0.00 0.00 178.44 178.83 2bvz h GLU 22 N 0.06 1.14 -0.65 1.25 4.39 -0.91 -1.13 114.58 118.73 2bvz h GLU 22 Ca 0.05 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2bvz h GLU 22 Cb 0.33 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2bvz h GLU 22 CO 0.01 0.75 0.29 0.87 -1.16 0.00 0.00 179.01 179.77 2bvz h LYS 23 N 1.17 0.95 -0.65 2.33 1.57 -1.12 -0.70 116.57 120.12 2bvz h LYS 23 Ca 0.42 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 2bvz h LYS 23 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2bvz h LYS 23 CO -0.16 0.78 0.08 0.93 -0.57 0.00 0.00 179.45 180.50 2bvz h GLU 24 N 0.91 1.10 -0.60 3.15 5.08 -0.62 -1.38 114.58 122.22 2bvz h GLU 24 Ca 0.22 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2bvz h GLU 24 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 2bvz h GLU 24 CO -0.02 1.02 0.21 0.82 -1.00 0.00 0.00 179.01 180.03 2bvz h ILE 25 N 1.02 1.24 -0.20 3.13 2.04 -0.89 -0.34 117.51 123.51 2bvz h ILE 25 Ca 0.20 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2bvz h ILE 25 Cb 0.47 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2bvz h ILE 25 CO 0.02 0.30 0.10 0.40 0.00 0.00 0.00 178.15 178.97 2bvz h ILE 26 N 0.84 1.12 -0.23 -0.67 2.04 -0.92 -1.23 117.51 118.46 2bvz h ILE 26 Ca 0.20 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2bvz h ILE 26 Cb 0.26 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 2bvz h ILE 26 CO -0.01 0.11 0.09 -0.61 0.00 0.00 0.00 178.15 177.73 2bvz h GLN 27 N 0.20 0.20 -0.76 2.37 5.75 -1.05 -1.28 115.11 120.54 2bvz h GLN 27 Ca 0.07 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 2bvz h GLN 27 Cb 0.09 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 2bvz h GLN 27 CO -0.01 0.13 0.48 -0.09 -2.65 0.00 0.00 178.83 176.69 2bvz h ARG 28 N 0.20 1.02 -0.36 1.69 2.43 -0.90 -1.22 114.38 117.24 2bvz h ARG 28 Ca 0.10 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2bvz h ARG 28 Cb 0.06 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2bvz h ARG 28 CO -0.09 0.70 0.08 0.00 -1.51 0.00 0.00 179.97 179.15 2bvz h ALA 29 N 1.26 0.47 -0.58 2.80 0.00 -0.92 0.35 119.26 122.64 2bvz h ALA 29 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2bvz h ALA 29 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2bvz h ALA 29 CO -0.06 0.14 0.34 -0.07 0.00 0.00 0.00 179.25 179.61 2bvz h LEU 30 N 0.43 0.71 -0.95 0.00 3.38 -1.02 -2.44 115.31 115.41 2bvz h LEU 30 Ca 0.11 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2bvz h LEU 30 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2bvz h LEU 30 CO 0.00 0.58 -0.33 -0.33 0.09 0.00 0.00 178.44 178.45 2bvz h GLU 31 N 0.79 0.36 0.00 1.13 5.08 -1.06 -1.30 114.58 119.57 2bvz h GLU 31 Ca 0.21 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2bvz h GLU 31 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2bvz h GLU 31 CO -0.04 0.65 0.00 -0.91 -1.00 0.00 0.00 179.01 177.71 2bvz h ASN 32 N 0.31 0.00 -0.59 1.42 2.35 -0.47 -2.11 115.58 116.49 2bvz h ASN 32 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2bvz h ASN 32 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2bvz h ASN 32 CO 0.06 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.62 2bvz n TYR 33 N -2.61 1.32 -0.43 1.19 4.02 -0.85 -4.94 117.16 114.85 2bvz n TYR 33 Ca 0.01 -0.62 0.00 0.00 -0.01 0.00 0.00 57.90 57.28 2bvz n TYR 33 Cb 0.23 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 2bvz n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bvz n GLY 34 N 0.93 0.77 3.79 2.72 0.00 -0.79 -4.63 105.19 107.98 2bvz n GLY 34 Ca 0.24 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2bvz n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bvz s ALA 35 N -2.00 3.46 -0.35 4.61 0.00 -0.55 -4.40 121.76 122.53 2bvz s ALA 35 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.09 2bvz s ALA 35 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.27 2bvz s ALA 35 CO 0.00 0.32 0.21 1.03 0.00 0.00 0.00 175.76 177.33 2bvz s ARG 36 N -1.39 3.15 -0.52 0.00 0.52 0.64 -4.34 118.95 117.01 2bvz s ARG 36 Ca 0.37 -0.87 -0.27 0.00 -0.52 0.00 0.00 55.73 54.44 2bvz s ARG 36 Cb -0.20 -3.74 0.03 0.00 0.52 0.00 0.00 34.95 31.56 2bvz s ARG 36 CO 0.23 -0.57 1.06 0.08 0.02 0.00 0.00 175.30 176.13 2bvz s VAL 37 N 1.63 4.26 -0.02 3.52 1.01 -1.26 -1.79 120.40 127.74 2bvz s VAL 37 Ca 0.04 0.83 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2bvz s VAL 37 Cb -0.18 -4.58 -0.25 0.00 0.00 0.00 0.00 36.38 31.36 2bvz s VAL 37 CO 0.08 -1.08 0.74 -0.33 0.00 0.00 0.00 175.10 174.52 2bvz h GLU 38 N 9.29 0.14 -2.49 2.72 5.08 -1.54 -3.48 114.58 124.30 2bvz h GLU 38 Ca -0.24 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 2bvz h GLU 38 Cb 1.07 0.09 -0.22 0.00 0.50 0.00 0.00 28.75 30.19 2bvz h GLU 38 CO 1.11 0.91 -0.09 0.21 -1.00 0.00 0.00 179.01 180.15 2bvz s LYS 39 N -2.61 0.66 -0.05 2.33 2.20 -1.11 -4.99 119.74 116.17 2bvz s LYS 39 Ca -0.09 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 2bvz s LYS 39 Cb 0.07 0.32 0.02 0.00 -1.51 0.00 0.00 37.83 36.73 2bvz s LYS 39 CO 0.83 -0.11 -0.06 0.08 -0.36 0.00 0.00 175.35 175.72 2bvz s VAL 40 N -0.08 0.67 -0.04 4.02 1.01 -1.26 -1.19 120.40 123.53 2bvz s VAL 40 Ca -0.03 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2bvz s VAL 40 Cb -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.67 2bvz s VAL 40 CO 0.02 0.26 -0.15 -1.61 0.00 0.00 0.00 175.10 173.62 2bvz s GLU 41 N 0.98 1.63 -0.43 2.72 0.41 -0.07 -5.00 118.70 118.95 2bvz s GLU 41 Ca -0.10 -0.53 -0.15 0.00 -0.41 0.00 0.00 54.97 53.79 2bvz s GLU 41 Cb -0.14 -1.42 0.04 0.00 -1.78 0.00 0.00 34.13 30.83 2bvz s GLU 41 CO -0.00 0.19 0.32 -1.21 -0.49 0.00 0.00 175.26 174.07 2bvz s GLU 42 N 0.16 2.94 0.03 1.61 2.02 -1.26 -1.21 118.70 122.99 2bvz s GLU 42 Ca -0.05 -1.16 0.05 0.00 0.02 0.00 0.00 54.97 53.83 2bvz s GLU 42 Cb -0.12 -4.00 -0.24 0.00 0.10 0.00 0.00 34.13 29.87 2bvz s GLU 42 CO 0.02 -0.85 0.95 -0.07 0.02 0.00 0.00 175.26 175.33 2bvz h LEU 43 N 8.65 0.13 0.00 1.80 4.07 -1.71 -3.50 115.31 124.75 2bvz h LEU 43 Ca -0.27 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2bvz h LEU 43 Cb 1.11 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2bvz h LEU 43 CO 0.78 1.15 0.00 0.61 -1.08 0.00 0.00 178.44 179.90 2bvz n GLY 44 N 1.52 -1.62 3.71 0.83 0.00 -1.11 -4.90 105.19 103.63 2bvz n GLY 44 Ca -0.11 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2bvz n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bvz s LEU 45 N 0.00 4.38 0.05 0.99 1.43 -1.26 -0.43 118.68 123.84 2bvz s LEU 45 Ca 0.00 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.89 2bvz s LEU 45 Cb 0.00 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2bvz s LEU 45 CO 0.00 -0.32 -0.04 -0.13 0.23 0.00 0.00 176.35 176.09 2bvz s ARG 46 N 0.96 0.55 -0.20 1.70 0.52 -0.86 -4.99 118.95 116.64 2bvz s ARG 46 Ca 0.54 -1.02 -0.25 0.00 -0.52 0.00 0.00 55.73 54.48 2bvz s ARG 46 Cb -0.24 0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.28 2bvz s ARG 46 CO 0.29 -0.06 0.82 0.50 0.02 0.00 0.00 175.30 176.87 2bvz s ARG 47 N -2.97 4.25 0.55 3.54 6.06 -1.26 -2.09 118.95 127.03 2bvz s ARG 47 Ca -0.00 0.98 -0.18 0.00 -2.50 0.00 0.00 55.73 54.03 2bvz s ARG 47 Cb 0.01 -3.60 -0.06 0.00 0.06 0.00 0.00 34.95 31.36 2bvz s ARG 47 CO -0.06 -0.39 1.06 -0.51 -2.50 0.00 0.00 175.30 172.91 2bvz s LEU 48 N 2.38 3.66 0.55 -0.88 1.43 -0.28 -4.93 118.68 120.61 2bvz s LEU 48 Ca 0.37 1.93 0.23 0.00 -1.03 0.00 0.00 54.13 55.63 2bvz s LEU 48 Cb -0.16 -4.55 1.51 0.00 0.03 0.00 0.00 46.19 43.01 2bvz s LEU 48 CO 0.10 -1.06 2.15 0.00 0.23 0.00 0.00 176.35 177.77 2bvz h ALA 49 N 0.96 1.91 -1.89 4.21 0.00 -1.96 -3.42 119.26 119.07 2bvz h ALA 49 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2bvz h ALA 49 Cb 1.23 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.81 2bvz h ALA 49 CO 0.58 -0.15 0.22 1.52 0.00 0.00 0.00 179.25 181.42 2bvz s TYR 50 N -4.86 -0.69 0.47 0.00 -0.85 -1.26 -5.16 117.35 105.00 2bvz s TYR 50 Ca -0.05 1.64 -0.24 0.00 -0.52 0.00 0.00 57.07 57.90 2bvz s TYR 50 Cb 0.17 0.31 -0.08 0.00 0.38 0.00 0.00 41.96 42.74 2bvz s TYR 50 CO 0.62 -0.36 1.31 -0.35 -1.52 0.00 0.00 175.55 175.25 2bvz n PRO 51 N 2.37 1.86 -4.51 -3.49 -0.04 -1.26 -4.96 135.00 124.97 2bvz n PRO 51 Ca -0.14 0.67 -0.23 0.00 -0.04 0.00 0.00 63.50 63.76 2bvz n PRO 51 Cb 0.55 -2.47 -0.16 0.00 -0.04 0.00 0.00 33.50 31.38 2bvz n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2bvz s ILE 52 N -1.24 0.99 -1.63 0.52 1.01 -0.70 -4.69 121.20 115.45 2bvz s ILE 52 Ca 0.65 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 2bvz s ILE 52 Cb -0.46 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.12 2bvz s ILE 52 CO 0.55 0.31 0.05 0.00 0.00 0.00 0.00 174.94 175.85 2bvz n ALA 53 N 3.48 -0.68 -0.81 9.38 0.00 -1.26 -0.86 120.51 129.76 2bvz n ALA 53 Ca -0.20 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2bvz n ALA 53 Cb 0.53 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2bvz n ALA 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bvz n LYS 54 N -3.07 -0.01 -3.61 0.00 3.00 -1.26 -4.99 118.16 108.22 2bvz n LYS 54 Ca -0.22 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.73 2bvz n LYS 54 Cb 0.67 -3.28 -0.08 0.00 0.00 0.00 0.00 35.03 32.33 2bvz n LYS 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bvz s ASP 55 N -2.60 6.26 0.00 3.14 1.01 -0.04 -4.98 116.67 119.46 2bvz s ASP 55 Ca 0.00 0.29 0.29 0.00 0.71 0.00 0.00 52.55 53.84 2bvz s ASP 55 Cb 0.00 -2.14 1.41 0.00 1.01 0.00 0.00 42.92 43.21 2bvz s ASP 55 CO 0.00 0.09 2.00 -0.81 0.21 0.00 0.00 175.17 176.65 2bvz n PRO 56 N 3.93 0.29 -4.27 8.23 -0.04 -1.26 -1.73 135.00 140.16 2bvz n PRO 56 Ca -0.14 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 2bvz n PRO 56 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2bvz n PRO 56 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2bvz s GLN 57 N -2.70 1.17 0.17 0.54 -2.07 -1.26 -1.13 119.66 114.38 2bvz s GLN 57 Ca 0.24 -1.57 -0.11 0.00 -1.82 0.00 0.00 55.36 52.10 2bvz s GLN 57 Cb 0.20 -0.39 0.00 0.00 -1.09 0.00 0.00 33.01 31.72 2bvz s GLN 57 CO 0.47 -0.10 0.34 0.20 -1.32 0.00 0.00 175.29 174.88 2bvz s GLY 58 N -3.21 0.34 -0.32 2.60 0.00 -0.89 -4.49 107.32 101.35 2bvz s GLY 58 Ca 0.25 -0.73 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 2bvz s GLY 58 CO 0.05 -0.70 0.22 -0.47 0.00 0.00 0.00 173.10 172.20 2bvz s TYR 59 N -3.95 3.22 0.04 1.90 5.04 -0.24 -2.04 117.35 121.32 2bvz s TYR 59 Ca 0.15 -0.21 -0.19 0.00 -2.44 0.00 0.00 57.07 54.38 2bvz s TYR 59 Cb 0.02 -2.44 -0.06 0.00 0.35 0.00 0.00 41.96 39.83 2bvz s TYR 59 CO -0.01 -0.34 0.57 -0.06 -1.34 0.00 0.00 175.55 174.37 2bvz s PHE 60 N 1.71 3.76 -0.00 4.97 0.40 0.43 -0.00 117.98 129.24 2bvz s PHE 60 Ca 0.06 1.22 0.04 0.00 -0.60 0.00 0.00 56.93 57.66 2bvz s PHE 60 Cb -0.17 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 2bvz s PHE 60 CO 0.10 0.50 -0.14 -0.51 0.70 0.00 0.00 175.22 175.87 2bvz s LEU 61 N -0.76 2.05 -0.03 -0.37 1.43 0.53 -1.71 118.68 119.83 2bvz s LEU 61 Ca 0.29 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2bvz s LEU 61 Cb -0.19 -0.70 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 2bvz s LEU 61 CO 0.18 0.15 -0.13 0.86 0.23 0.00 0.00 176.35 177.64 2bvz s TRP 62 N -0.41 1.25 -0.00 0.29 -0.00 -0.35 -0.82 118.94 118.89 2bvz s TRP 62 Ca 0.05 -0.31 0.03 0.00 -0.00 0.00 0.00 56.10 55.87 2bvz s TRP 62 Cb -0.06 -0.85 -0.01 0.00 -0.00 0.00 0.00 33.47 32.55 2bvz s TRP 62 CO -0.00 -0.10 -0.09 0.71 -0.00 0.00 0.00 176.95 177.47 2bvz s TYR 63 N 0.01 0.83 -0.20 5.86 1.51 -0.07 -0.89 117.35 124.40 2bvz s TYR 63 Ca -0.01 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 2bvz s TYR 63 Cb -0.08 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 2bvz s TYR 63 CO 0.01 -0.01 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.26 2bvz s GLN 64 N -0.30 3.48 0.08 -0.62 0.74 -0.33 -0.19 119.66 122.51 2bvz s GLN 64 Ca 0.03 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 54.86 2bvz s GLN 64 Cb -0.04 -2.99 -0.04 0.00 1.10 0.00 0.00 33.01 31.04 2bvz s GLN 64 CO -0.00 -0.05 -0.05 0.14 -0.55 0.00 0.00 175.29 174.77 2bvz s VAL 65 N 1.13 0.51 -0.16 1.34 -7.23 0.10 -1.24 120.40 114.85 2bvz s VAL 65 Ca 0.02 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 2bvz s VAL 65 Cb -0.15 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.33 2bvz s VAL 65 CO -0.00 -0.85 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.04 2bvz s GLU 66 N -3.56 2.91 0.25 4.82 2.12 -0.74 0.41 118.70 124.91 2bvz s GLU 66 Ca 0.07 -0.80 -0.15 0.00 0.36 0.00 0.00 54.97 54.44 2bvz s GLU 66 Cb 0.04 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.98 2bvz s GLU 66 CO -0.06 -0.14 0.54 0.00 -0.54 0.00 0.00 175.26 175.07 2bvz s MET 67 N 1.12 1.58 0.12 4.30 0.23 -0.01 -0.26 119.30 126.38 2bvz s MET 67 Ca 0.00 -1.13 -0.31 0.00 -1.03 0.00 0.00 55.69 53.22 2bvz s MET 67 Cb -0.14 0.51 -0.09 0.00 -1.53 0.00 0.00 34.83 33.58 2bvz s MET 67 CO -0.08 -0.68 1.50 -2.14 -2.03 0.00 0.00 175.02 171.59 2bvz s PRO 68 N -3.97 4.26 0.54 3.16 0.02 -1.26 -1.30 135.00 136.45 2bvz s PRO 68 Ca 0.18 2.22 0.23 0.00 0.02 0.00 0.00 61.00 63.65 2bvz s PRO 68 Cb -0.02 -3.28 1.51 0.00 0.02 0.00 0.00 34.50 32.73 2bvz s PRO 68 CO 0.07 -0.56 2.18 1.05 -0.33 0.00 0.00 177.00 179.41 2bvz h GLU 69 N 7.08 0.00 0.00 5.54 4.11 -1.92 -1.82 114.58 127.57 2bvz h GLU 69 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2bvz h GLU 69 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2bvz h GLU 69 CO 0.90 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.60 2bvz n ASP 70 N -4.13 0.00 -0.03 3.06 5.75 -1.26 -3.10 116.55 116.84 2bvz n ASP 70 Ca -0.03 0.48 0.05 0.00 -0.01 0.00 0.00 54.79 55.29 2bvz n ASP 70 Cb 0.11 -0.49 -0.05 0.00 -1.03 0.00 0.00 41.12 39.66 2bvz n ASP 70 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bvz n ARG 71 N -1.49 3.33 0.00 0.11 5.12 -0.69 -4.72 116.66 118.32 2bvz n ARG 71 Ca 0.05 -0.07 -0.10 0.00 -1.93 0.00 0.00 57.85 55.80 2bvz n ARG 71 Cb 0.23 -1.02 -0.03 0.00 -1.16 0.00 0.00 32.46 30.48 2bvz n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2bvz h VAL 72 N 0.13 0.45 -0.99 1.55 2.07 -1.49 -1.47 116.25 116.50 2bvz h VAL 72 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2bvz h VAL 72 Cb 0.27 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2bvz h VAL 72 CO 0.00 0.00 0.65 -1.13 0.02 0.00 0.00 177.57 177.11 2bvz h ASN 73 N -0.29 1.15 -0.67 0.57 -0.00 -1.84 -0.89 115.58 113.61 2bvz h ASN 73 Ca 0.10 -0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.31 2bvz h ASN 73 Cb 0.43 -0.29 -0.03 0.00 -0.00 0.00 0.00 38.32 38.44 2bvz h ASN 73 CO -0.29 0.84 0.20 0.44 -0.00 0.00 0.00 177.43 178.62 2bvz h ASP 74 N 1.35 0.98 -0.34 1.15 3.32 -1.78 -1.96 116.42 119.13 2bvz h ASP 74 Ca 0.36 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2bvz h ASP 74 Cb -0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 2bvz h ASP 74 CO -0.08 0.93 0.13 0.00 -1.72 0.00 0.00 179.24 178.51 2bvz h ALA 75 N 1.08 0.45 -0.89 3.45 0.00 -0.77 -2.15 119.26 120.44 2bvz h ALA 75 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2bvz h ALA 75 Cb 0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2bvz h ALA 75 CO -0.01 0.06 0.58 0.00 0.00 0.00 0.00 179.25 179.88 2bvz h ALA 76 N 0.97 1.16 -0.52 0.00 0.00 -0.95 -1.26 119.26 118.66 2bvz h ALA 76 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2bvz h ALA 76 Cb 0.20 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2bvz h ALA 76 CO -0.01 0.47 0.17 0.00 0.00 0.00 0.00 179.25 179.88 2bvz h ARG 77 N 1.15 0.80 -0.47 0.00 3.08 -1.21 -1.38 114.38 116.35 2bvz h ARG 77 Ca 0.34 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.27 2bvz h ARG 77 Cb -0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 2bvz h ARG 77 CO -0.10 0.74 0.21 1.49 -1.07 0.00 0.00 179.97 181.24 2bvz h GLU 78 N 0.70 0.41 -0.79 0.04 4.57 -0.79 -2.26 114.58 116.46 2bvz h GLU 78 Ca 0.17 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2bvz h GLU 78 Cb 0.27 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2bvz h GLU 78 CO -0.01 0.27 0.36 -0.07 -1.18 0.00 0.00 179.01 178.39 2bvz h LEU 79 N 0.42 1.03 -1.85 1.64 3.38 -0.88 -2.97 115.31 116.09 2bvz h LEU 79 Ca 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2bvz h LEU 79 Cb 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2bvz h LEU 79 CO -0.18 0.88 0.00 0.03 0.09 0.00 0.00 178.44 179.26 2bvz h ARG 80 N 1.12 0.00 -0.08 1.13 3.08 -0.66 -3.13 114.38 115.84 2bvz h ARG 80 Ca 0.27 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.18 2bvz h ARG 80 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2bvz h ARG 80 CO -0.03 0.00 -0.57 -0.84 -1.07 0.00 0.00 179.97 177.46 2bvz h ILE 81 N 0.00 1.37 -2.19 2.04 3.07 -1.34 -3.44 117.51 117.02 2bvz h ILE 81 Ca 0.00 -1.89 -0.60 0.00 1.55 0.00 0.00 64.86 63.92 2bvz h ILE 81 Cb 0.37 1.93 0.05 0.00 -0.27 0.00 0.00 36.82 38.90 2bvz h ILE 81 CO 0.00 0.56 0.78 0.54 -1.05 0.00 0.00 178.15 178.98 2bvz n ARG 82 N -3.90 2.04 -0.08 0.16 5.12 -1.18 -4.87 116.66 113.94 2bvz n ARG 82 Ca -0.02 0.74 0.02 0.00 -1.93 0.00 0.00 57.85 56.65 2bvz n ARG 82 Cb 0.59 -2.49 0.34 0.00 -1.16 0.00 0.00 32.46 29.74 2bvz n ARG 82 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 2bvz h ASP 83 N 5.96 0.62 0.65 0.55 3.45 -1.91 -2.33 116.42 123.41 2bvz h ASP 83 Ca -0.45 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 56.98 2bvz h ASP 83 Cb 1.26 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 2bvz h ASP 83 CO 0.88 0.48 0.00 0.59 -1.57 0.00 0.00 179.24 179.62 2bvz n ASN 84 N -4.43 0.00 -4.55 6.45 3.02 -1.26 -4.65 115.26 109.84 2bvz n ASN 84 Ca 0.05 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.21 2bvz n ASN 84 Cb 0.08 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 2bvz n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bvz s VAL 85 N -2.68 4.80 -0.04 2.41 1.01 -0.88 -0.62 120.40 124.40 2bvz s VAL 85 Ca 0.24 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.73 2bvz s VAL 85 Cb 0.19 -4.18 -0.25 0.00 0.00 0.00 0.00 36.38 32.14 2bvz s VAL 85 CO 0.46 -0.49 0.69 0.03 0.00 0.00 0.00 175.10 175.79 2bvz h ARG 86 N 8.68 0.13 -2.48 2.72 2.47 -0.94 -3.46 114.38 121.49 2bvz h ARG 86 Ca -0.26 -0.22 -0.09 0.00 -1.26 0.00 0.00 59.98 58.16 2bvz h ARG 86 Cb 1.10 0.08 -0.23 0.00 -1.65 0.00 0.00 29.97 29.27 2bvz h ARG 86 CO 0.89 0.86 -0.10 0.50 0.56 0.00 0.00 179.97 182.68 2bvz s ARG 87 N -2.60 0.64 -0.06 0.04 3.52 -1.14 -4.98 118.95 114.37 2bvz s ARG 87 Ca -0.09 0.65 0.02 0.00 -0.13 0.00 0.00 55.73 56.18 2bvz s ARG 87 Cb 0.07 0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.79 2bvz s ARG 87 CO 0.82 -0.09 -0.09 0.08 -0.81 0.00 0.00 175.30 175.21 2bvz s VAL 88 N 0.12 0.89 -0.05 7.11 1.01 -1.26 -1.33 120.40 126.88 2bvz s VAL 88 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2bvz s VAL 88 Cb -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.54 2bvz s VAL 88 CO 0.01 0.30 0.09 -0.32 0.00 0.00 0.00 175.10 175.19 2bvz s MET 89 N 0.76 -0.04 -0.19 2.72 0.00 -0.52 -5.00 119.30 117.02 2bvz s MET 89 Ca -0.13 0.44 -0.03 0.00 0.00 0.00 0.00 55.69 55.96 2bvz s MET 89 Cb -0.15 -0.42 -0.01 0.00 0.00 0.00 0.00 34.83 34.24 2bvz s MET 89 CO 0.02 -0.32 -0.06 0.08 0.00 0.00 0.00 175.02 174.75 2bvz s VAL 90 N 2.18 3.44 0.16 10.11 1.01 -1.26 -1.00 120.40 135.04 2bvz s VAL 90 Ca 0.04 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.62 2bvz s VAL 90 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2bvz s VAL 90 CO -0.04 0.46 -0.19 0.68 0.00 0.00 0.00 175.10 176.01 2bvz s VAL 91 N 1.01 1.88 0.27 2.92 -7.23 -0.79 -4.98 120.40 113.48 2bvz s VAL 91 Ca 0.00 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 2bvz s VAL 91 Cb -0.15 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 2bvz s VAL 91 CO 0.00 -0.27 1.17 -0.75 -0.31 0.00 0.00 175.10 174.94 2bvz s LYS 92 N -2.71 4.55 0.14 4.82 2.20 -1.26 -0.91 119.74 126.57 2bvz s LYS 92 Ca 0.16 1.90 -0.31 0.00 -0.36 0.00 0.00 55.97 57.36 2bvz s LYS 92 Cb -0.06 -3.18 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 2bvz s LYS 92 CO 0.07 0.06 1.38 0.45 -0.36 0.00 0.00 175.35 176.94 2bvz s SER 93 N -0.55 6.83 -0.21 1.43 0.15 -0.65 -4.76 113.70 115.94 2bvz s SER 93 Ca 0.47 2.36 -0.04 0.00 0.70 0.00 0.00 55.95 59.45 2bvz s SER 93 Cb -0.34 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.26 2bvz s SER 93 CO 0.42 -0.63 -0.23 0.00 1.20 0.00 0.00 173.24 174.01 2bvz n GLN 94 N 3.57 0.49 -3.59 5.44 6.02 -1.26 -4.83 117.38 123.22 2bvz n GLN 94 Ca 0.10 0.16 -0.27 0.00 -0.01 0.00 0.00 57.00 56.98 2bvz n GLN 94 Cb 0.42 -1.35 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 2bvz n GLN 94 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2bvz n GLU 95 N -3.50 1.00 -1.92 -1.09 1.02 -1.26 -5.12 120.64 109.77 2bvz n GLU 95 Ca -0.40 -3.78 -0.37 0.00 -0.02 0.00 0.00 57.16 52.59 2bvz n GLU 95 Cb 0.85 -1.92 0.04 0.00 -0.02 0.00 0.00 31.44 30.39 2bvz n GLU 95 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bvz s PRO 96 N -0.76 2.93 0.30 3.49 0.04 -1.26 -5.01 135.00 134.72 2bvz s PRO 96 Ca 0.30 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 63.01 2bvz s PRO 96 Cb 0.02 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 2bvz s PRO 96 CO -0.17 -1.27 0.97 -0.06 0.04 0.00 0.00 177.00 176.51 2bvz s PHE 97 N -1.49 3.74 0.00 0.56 0.08 -1.26 -5.25 117.98 114.36 2bvz s PHE 97 Ca 0.77 1.81 0.00 0.00 0.12 0.00 0.00 56.93 59.63 2bvz s PHE 97 Cb -0.34 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2bvz s PHE 97 CO 0.37 0.14 0.00 -0.11 -0.10 0.00 0.00 175.22 175.52