#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vc3 s THR 27 N 0.00 4.82 -0.08 1.55 2.01 0.89 -1.19 115.64 123.64 1vc3 s THR 27 Ca 0.00 1.79 0.03 0.00 0.31 0.00 0.00 61.69 63.82 1vc3 s THR 27 Cb 0.00 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.31 1vc3 s THR 27 CO 0.00 -0.03 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.06 1vc3 s VAL 28 N 2.39 1.41 -0.44 3.82 1.01 0.24 -0.19 120.40 128.63 1vc3 s VAL 28 Ca 0.41 -0.63 -0.45 0.00 0.00 0.00 0.00 61.98 61.31 1vc3 s VAL 28 Cb -0.16 -1.26 -0.19 0.00 0.00 0.00 0.00 36.38 34.76 1vc3 s VAL 28 CO 0.12 0.42 1.64 -0.67 0.00 0.00 0.00 175.10 176.61 1vc3 n ASP 29 N 3.78 1.53 0.33 3.32 -0.08 -0.41 0.03 116.55 125.04 1vc3 n ASP 29 Ca -0.21 1.16 0.22 0.00 -1.51 0.00 0.00 54.79 54.44 1vc3 n ASP 29 Cb 0.52 -0.95 1.19 0.00 2.34 0.00 0.00 41.12 44.22 1vc3 n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1vc3 h GLN 30 N 5.63 0.00 -0.26 -0.67 4.15 -1.55 0.18 115.11 122.59 1vc3 h GLN 30 Ca -0.44 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.91 1vc3 h GLN 30 Cb 1.36 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.03 1vc3 h GLN 30 CO 0.98 0.00 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.32 1vc3 h ASP 31 N 0.00 0.41 0.30 -0.69 3.32 -1.85 -0.48 116.42 117.43 1vc3 h ASP 31 Ca 0.00 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.76 1vc3 h ASP 31 Cb 0.04 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 1vc3 h ASP 31 CO 0.00 0.56 -0.78 -0.07 -1.72 0.00 0.00 179.24 177.24 1vc3 h LEU 32 N 0.39 0.47 -0.62 1.55 3.38 -0.99 -2.26 115.31 117.24 1vc3 h LEU 32 Ca 0.08 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1vc3 h LEU 32 Cb 0.45 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1vc3 h LEU 32 CO 0.03 1.07 -0.03 -0.07 0.09 0.00 0.00 178.44 179.54 1vc3 h LEU 33 N 0.25 1.04 -0.66 1.67 3.38 -1.19 -1.09 115.31 118.71 1vc3 h LEU 33 Ca -0.04 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 1vc3 h LEU 33 Cb 1.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1vc3 h LEU 33 CO 0.13 1.11 0.23 0.44 0.09 0.00 0.00 178.44 180.44 1vc3 h ASP 34 N 0.96 0.95 0.27 -0.43 3.32 -1.01 0.26 116.42 120.74 1vc3 h ASP 34 Ca 0.17 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1vc3 h ASP 34 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1vc3 h ASP 34 CO 0.04 0.89 -0.36 0.00 -1.72 0.00 0.00 179.24 178.09 1vc3 h ALA 35 N 1.10 1.28 0.00 3.45 0.00 -1.19 -2.84 119.26 121.05 1vc3 h ALA 35 Ca 0.22 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.57 1vc3 h ALA 35 Cb 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1vc3 h ALA 35 CO -0.01 0.51 -1.07 0.00 0.00 0.00 0.00 179.25 178.68 1vc3 h ALA 36 N 1.52 0.54 0.00 0.00 0.00 -0.67 -3.47 119.26 117.18 1vc3 h ALA 36 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1vc3 h ALA 36 Cb 0.69 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1vc3 h ALA 36 CO 0.05 1.13 0.00 0.41 0.00 0.00 0.00 179.25 180.85 1vc3 n GLY 37 N 1.37 0.69 3.68 0.00 0.00 0.82 -4.78 105.19 106.96 1vc3 n GLY 37 Ca -0.04 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1vc3 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vc3 s ILE 38 N -2.00 4.96 0.36 -0.61 1.01 -0.61 -5.04 121.20 119.26 1vc3 s ILE 38 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1vc3 s ILE 38 Cb 0.00 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 1vc3 s ILE 38 CO 0.00 0.48 0.66 -0.76 0.00 0.00 0.00 174.94 175.32 1vc3 s LEU 39 N 0.19 3.92 0.34 2.97 1.43 -1.26 -4.49 118.68 121.78 1vc3 s LEU 39 Ca 0.06 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 53.76 1vc3 s LEU 39 Cb -0.12 -3.75 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 1vc3 s LEU 39 CO -0.00 -0.32 1.44 -2.84 0.23 0.00 0.00 176.35 174.86 1vc3 s PRO 40 N -3.81 4.20 0.00 1.29 0.02 -1.26 -1.52 135.00 133.92 1vc3 s PRO 40 Ca 0.47 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.92 1vc3 s PRO 40 Cb -0.10 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1vc3 s PRO 40 CO 0.32 -0.42 0.00 1.19 -0.33 0.00 0.00 177.00 177.76 1vc3 n PHE 41 N 0.96 0.00 -2.53 6.54 0.99 0.17 -4.98 117.46 118.61 1vc3 n PHE 41 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.10 1vc3 n PHE 41 Cb 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.84 1vc3 n PHE 41 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1vc3 s GLU 42 N -0.10 4.28 0.31 -1.08 2.12 -0.58 -4.60 118.70 119.05 1vc3 s GLU 42 Ca 0.00 1.58 -0.29 0.00 0.36 0.00 0.00 54.97 56.62 1vc3 s GLU 42 Cb 0.00 -2.69 -0.10 0.00 0.26 0.00 0.00 34.13 31.60 1vc3 s GLU 42 CO 0.00 -0.06 1.23 -1.14 -0.54 0.00 0.00 175.26 174.76 1vc3 s GLN 43 N -2.25 4.46 0.02 4.30 0.74 -1.26 -1.43 119.66 124.24 1vc3 s GLN 43 Ca 0.55 2.06 -0.04 0.00 0.05 0.00 0.00 55.36 57.98 1vc3 s GLN 43 Cb -0.24 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 1vc3 s GLN 43 CO 0.31 -0.05 0.07 0.14 -0.55 0.00 0.00 175.29 175.21 1vc3 s VAL 44 N -1.11 0.11 0.03 1.34 -7.23 -0.03 -4.58 120.40 108.93 1vc3 s VAL 44 Ca 0.47 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.74 1vc3 s VAL 44 Cb -0.37 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.99 1vc3 s VAL 44 CO 0.48 -0.50 0.12 -1.81 -0.31 0.00 0.00 175.10 173.08 1vc3 s ASP 45 N -1.66 5.86 -0.16 4.85 1.11 0.14 -0.87 116.67 125.95 1vc3 s ASP 45 Ca -0.12 0.16 0.02 0.00 0.18 0.00 0.00 52.55 52.79 1vc3 s ASP 45 Cb -0.06 -1.71 0.02 0.00 1.07 0.00 0.00 42.92 42.24 1vc3 s ASP 45 CO -0.01 0.23 -0.20 -0.63 1.18 0.00 0.00 175.17 175.73 1vc3 s ILE 46 N -1.32 2.01 -0.21 0.77 1.01 0.59 -0.97 121.20 123.08 1vc3 s ILE 46 Ca 0.27 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1vc3 s ILE 46 Cb -0.12 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1vc3 s ILE 46 CO 0.19 0.54 -0.09 -0.31 0.00 0.00 0.00 174.94 175.26 1vc3 s TYR 47 N 1.08 2.91 -0.42 3.97 4.12 -0.21 -1.33 117.35 127.46 1vc3 s TYR 47 Ca -0.01 -1.19 -0.22 0.00 0.02 0.00 0.00 57.07 55.67 1vc3 s TYR 47 Cb -0.14 -2.04 0.02 0.00 -1.52 0.00 0.00 41.96 38.27 1vc3 s TYR 47 CO -0.07 -0.64 0.73 0.34 0.02 0.00 0.00 175.55 175.93 1vc3 s ASP 48 N 1.41 6.42 0.30 2.29 -1.08 0.96 -0.87 116.67 126.10 1vc3 s ASP 48 Ca 0.05 -0.03 0.10 0.00 -0.52 0.00 0.00 52.55 52.15 1vc3 s ASP 48 Cb -0.14 -2.36 0.45 0.00 -1.46 0.00 0.00 42.92 39.41 1vc3 s ASP 48 CO -0.06 -0.80 1.67 0.40 0.52 0.00 0.00 175.17 176.89 1vc3 h ILE 49 N 5.87 1.38 -0.15 4.11 2.04 -1.08 0.43 117.51 130.11 1vc3 h ILE 49 Ca -0.25 -1.82 -0.13 0.00 1.00 0.00 0.00 64.86 63.66 1vc3 h ILE 49 Cb 1.09 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1vc3 h ILE 49 CO 0.92 0.52 -0.41 0.74 0.00 0.00 0.00 178.15 179.92 1vc3 h THR 50 N 0.04 1.35 0.00 -0.27 2.02 -1.90 -3.39 112.91 110.77 1vc3 h THR 50 Ca -0.00 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1vc3 h THR 50 Cb 0.95 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1vc3 h THR 50 CO 0.07 0.51 0.00 -0.46 0.37 0.00 0.00 175.52 176.01 1vc3 n ASN 51 N -4.27 0.68 0.00 4.18 0.23 -1.22 -5.04 115.26 109.81 1vc3 n ASN 51 Ca -0.07 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.08 1vc3 n ASN 51 Cb 0.55 0.14 0.00 0.00 -2.08 0.00 0.00 39.78 38.39 1vc3 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1vc3 n GLY 52 N 0.14 0.85 3.75 4.83 0.00 0.15 -5.04 105.19 109.88 1vc3 n GLY 52 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1vc3 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vc3 s ALA 53 N -3.28 2.48 -0.04 4.61 0.00 -1.25 -4.68 121.76 119.61 1vc3 s ALA 53 Ca 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 51.96 52.91 1vc3 s ALA 53 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1vc3 s ALA 53 CO 0.00 -1.27 0.07 1.03 0.00 0.00 0.00 175.76 175.59 1vc3 s ARG 54 N -3.47 -0.02 0.24 0.00 0.52 -1.26 -0.02 118.95 114.94 1vc3 s ARG 54 Ca 0.76 0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 56.14 1vc3 s ARG 54 Cb -0.29 -0.29 -0.00 0.00 0.52 0.00 0.00 34.95 34.88 1vc3 s ARG 54 CO 0.35 -0.21 0.46 -0.48 0.02 0.00 0.00 175.30 175.44 1vc3 s LEU 55 N 1.39 0.37 -0.06 2.53 0.05 -0.44 -4.98 118.68 117.53 1vc3 s LEU 55 Ca -0.06 -0.93 0.06 0.00 0.05 0.00 0.00 54.13 53.26 1vc3 s LEU 55 Cb -0.12 1.71 -0.01 0.00 -2.05 0.00 0.00 46.19 45.71 1vc3 s LEU 55 CO -0.04 -1.12 -0.24 -0.89 -0.55 0.00 0.00 176.35 173.52 1vc3 s THR 56 N -4.02 2.19 0.00 5.48 2.01 -1.26 -0.30 115.64 119.74 1vc3 s THR 56 Ca 0.22 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1vc3 s THR 56 Cb -0.00 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1vc3 s THR 56 CO 0.08 0.57 0.00 1.07 -0.69 0.00 0.00 174.62 175.65 1vc3 n THR 57 N 2.90 0.00 -4.01 -0.82 5.66 -0.05 -4.99 114.28 112.97 1vc3 n THR 57 Ca -0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 1vc3 n THR 57 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 1vc3 n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1vc3 s TYR 58 N -1.45 0.47 0.10 1.09 1.13 -1.26 -0.85 117.35 116.59 1vc3 s TYR 58 Ca 0.00 -0.92 -0.15 0.00 -1.41 0.00 0.00 57.07 54.60 1vc3 s TYR 58 Cb 0.00 -0.26 -0.06 0.00 -1.10 0.00 0.00 41.96 40.54 1vc3 s TYR 58 CO 0.00 -0.52 0.51 0.00 -2.51 0.00 0.00 175.55 173.03 1vc3 s ALA 59 N -3.94 3.62 -0.01 9.51 0.00 -0.51 -1.36 121.76 129.06 1vc3 s ALA 59 Ca 0.12 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.00 1vc3 s ALA 59 Cb 0.06 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 1vc3 s ALA 59 CO -0.06 0.46 -0.20 -0.51 0.00 0.00 0.00 175.76 175.46 1vc3 s LEU 60 N -1.63 2.04 0.09 0.00 1.43 -0.33 0.45 118.68 120.73 1vc3 s LEU 60 Ca 0.33 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 1vc3 s LEU 60 Cb -0.16 -1.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 1vc3 s LEU 60 CO 0.18 0.24 1.32 -2.16 0.23 0.00 0.00 176.35 176.16 1vc3 s PRO 61 N -0.48 4.36 0.39 1.29 0.04 -1.26 -0.60 135.00 138.74 1vc3 s PRO 61 Ca 0.08 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.15 1vc3 s PRO 61 Cb -0.08 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 1vc3 s PRO 61 CO -0.01 -0.38 0.22 0.20 0.04 0.00 0.00 177.00 177.07 1vc3 s GLY 62 N 1.12 2.13 -0.06 0.56 0.00 0.10 -4.73 107.32 106.45 1vc3 s GLY 62 Ca 0.62 -1.94 -0.36 0.00 0.00 0.00 0.00 44.72 43.04 1vc3 s GLY 62 CO 0.30 -1.79 1.67 -2.21 0.00 0.00 0.00 173.10 171.06 1vc3 n GLU 63 N -1.29 1.65 -1.90 2.90 2.13 -1.26 -1.77 120.64 121.10 1vc3 n GLU 63 Ca -0.01 0.60 -0.42 0.00 0.66 0.00 0.00 57.16 58.00 1vc3 n GLU 63 Cb 0.63 -2.34 -0.03 0.00 0.27 0.00 0.00 31.44 29.97 1vc3 n GLU 63 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1vc3 s ARG 64 N 2.53 4.20 0.00 5.31 0.52 -1.26 -2.35 118.95 127.90 1vc3 s ARG 64 Ca 0.90 2.41 0.00 0.00 -0.52 0.00 0.00 55.73 58.52 1vc3 s ARG 64 Cb -0.86 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1vc3 s ARG 64 CO 0.52 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.67 1vc3 n GLY 65 N 3.07 1.69 0.15 -3.53 0.00 -1.26 -4.86 105.19 100.43 1vc3 n GLY 65 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1vc3 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vc3 h SER 66 N 0.00 0.00 -0.33 1.61 4.64 -1.84 -3.47 113.55 114.16 1vc3 h SER 66 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1vc3 h SER 66 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1vc3 h SER 66 CO 0.00 0.47 -0.11 0.61 -0.87 0.00 0.00 176.83 176.93 1vc3 n GLY 67 N 1.15 0.73 3.75 -0.77 0.00 -1.26 -4.97 105.19 103.81 1vc3 n GLY 67 Ca 0.02 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1vc3 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vc3 s VAL 68 N -2.21 3.22 -0.34 1.61 0.11 -1.26 -4.65 120.40 116.87 1vc3 s VAL 68 Ca 0.00 1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 60.12 1vc3 s VAL 68 Cb 0.00 -3.69 0.13 0.00 -1.53 0.00 0.00 36.38 31.29 1vc3 s VAL 68 CO 0.00 0.20 0.20 -0.63 -3.33 0.00 0.00 175.10 171.53 1vc3 s ILE 69 N -0.34 0.15 -0.17 7.04 -1.09 -1.23 -1.29 121.20 124.27 1vc3 s ILE 69 Ca 0.53 -1.58 -0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1vc3 s ILE 69 Cb -0.36 -1.12 -0.02 0.00 -1.58 0.00 0.00 42.46 39.38 1vc3 s ILE 69 CO 0.41 -0.95 -0.05 -0.83 -1.23 0.00 0.00 174.94 172.29 1vc3 s GLY 70 N 1.21 1.67 -0.44 6.18 0.00 0.73 -4.93 107.32 111.75 1vc3 s GLY 70 Ca 0.17 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 1vc3 s GLY 70 CO -0.05 0.03 0.61 -0.42 0.00 0.00 0.00 173.10 173.26 1vc3 s ILE 71 N 0.62 4.87 0.06 0.90 -1.09 -1.26 -0.07 121.20 125.23 1vc3 s ILE 71 Ca -0.03 -0.01 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1vc3 s ILE 71 Cb -0.15 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.51 1vc3 s ILE 71 CO 0.03 -0.59 0.04 0.20 -1.23 0.00 0.00 174.94 173.39 1vc3 s ASN 72 N 2.02 5.34 0.00 3.58 0.01 -1.26 -4.61 114.94 120.01 1vc3 s ASN 72 Ca 0.20 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 1vc3 s ASN 72 Cb -0.15 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.12 1vc3 s ASN 72 CO 0.18 0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.57 1vc3 n GLY 73 N 0.68 -1.18 0.37 0.66 0.00 -1.26 -4.06 105.19 100.41 1vc3 n GLY 73 Ca -0.10 -1.30 0.19 0.00 0.00 0.00 0.00 46.02 44.81 1vc3 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vc3 h ALA 74 N 0.00 2.28 -0.02 4.61 0.00 -2.04 -1.05 119.26 123.04 1vc3 h ALA 74 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1vc3 h ALA 74 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vc3 h ALA 74 CO 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 179.25 178.78 1vc3 h ALA 75 N 1.70 1.23 0.00 0.00 0.00 -1.93 -1.42 119.26 118.84 1vc3 h ALA 75 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vc3 h ALA 75 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1vc3 h ALA 75 CO -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1vc3 h ALA 76 N 1.82 1.00 0.00 0.00 0.00 -1.40 -0.10 119.26 120.58 1vc3 h ALA 76 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1vc3 h ALA 76 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1vc3 h ALA 76 CO -0.00 0.00 -0.42 0.45 0.00 0.00 0.00 179.25 179.28 1vc3 h HIS 77 N 0.00 0.00 0.00 0.00 3.86 -1.48 -3.35 115.15 114.18 1vc3 h HIS 77 Ca 0.00 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.95 1vc3 h HIS 77 Cb 0.14 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.56 1vc3 h HIS 77 CO 0.00 0.42 -1.96 1.28 0.86 0.00 0.00 177.93 178.53 1vc3 n LEU 78 N -3.61 0.78 -4.20 2.43 4.77 -0.20 -4.93 117.00 112.03 1vc3 n LEU 78 Ca -0.00 -0.02 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 1vc3 n LEU 78 Cb 0.53 0.09 -0.15 0.00 -2.33 0.00 0.00 43.42 41.56 1vc3 n LEU 78 CO 0.38 0.46 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.77 1vc3 s VAL 79 N -2.34 2.74 0.27 4.08 1.01 -0.31 -4.82 120.40 121.03 1vc3 s VAL 79 Ca -0.11 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1vc3 s VAL 79 Cb 0.05 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1vc3 s VAL 79 CO 0.53 0.38 0.19 -0.54 0.00 0.00 0.00 175.10 175.65 1vc3 s LYS 80 N 1.36 2.78 0.32 2.72 -0.14 -1.26 -4.45 119.74 121.06 1vc3 s LYS 80 Ca 0.03 -1.17 -0.29 0.00 -1.36 0.00 0.00 55.97 53.18 1vc3 s LYS 80 Cb -0.15 -2.48 -0.11 0.00 -1.68 0.00 0.00 37.83 33.41 1vc3 s LYS 80 CO -0.07 0.32 1.58 -2.30 -0.76 0.00 0.00 175.35 174.12 1vc3 n PRO 81 N -1.18 2.74 0.00 -1.68 -0.02 -1.26 -1.73 135.00 131.87 1vc3 n PRO 81 Ca -0.06 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1vc3 n PRO 81 Cb 0.59 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1vc3 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vc3 n GLY 82 N 1.71 2.00 3.77 -1.23 0.00 -1.26 -5.05 105.19 105.13 1vc3 n GLY 82 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1vc3 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vc3 s ASP 83 N -1.57 5.98 -0.11 1.61 1.11 -0.70 -5.01 116.67 117.98 1vc3 s ASP 83 Ca 0.00 2.25 -0.14 0.00 0.18 0.00 0.00 52.55 54.85 1vc3 s ASP 83 Cb 0.00 -2.59 -0.05 0.00 1.07 0.00 0.00 42.92 41.35 1vc3 s ASP 83 CO 0.00 -1.05 0.33 -0.76 1.18 0.00 0.00 175.17 174.87 1vc3 s LEU 84 N -3.36 4.33 0.19 1.23 1.43 -1.26 -4.97 118.68 116.27 1vc3 s LEU 84 Ca 0.67 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.43 1vc3 s LEU 84 Cb -0.27 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1vc3 s LEU 84 CO 0.31 0.19 0.10 0.68 0.23 0.00 0.00 176.35 177.86 1vc3 s VAL 85 N -0.11 0.14 -0.09 -1.59 -7.23 -1.26 -0.46 120.40 109.79 1vc3 s VAL 85 Ca 0.19 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1vc3 s VAL 85 Cb -0.14 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1vc3 s VAL 85 CO 0.07 -0.12 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.00 1vc3 s ILE 86 N -4.05 1.16 -0.26 -0.62 1.01 -0.05 -4.90 121.20 113.49 1vc3 s ILE 86 Ca 0.35 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 1vc3 s ILE 86 Cb 0.07 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 1vc3 s ILE 86 CO 0.10 0.37 0.05 -0.76 0.00 0.00 0.00 174.94 174.70 1vc3 s LEU 87 N 1.10 3.45 -0.04 2.97 1.43 -1.26 -1.04 118.68 125.29 1vc3 s LEU 87 Ca -0.06 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 1vc3 s LEU 87 Cb -0.14 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 1vc3 s LEU 87 CO -0.02 -0.08 -0.25 -0.69 0.23 0.00 0.00 176.35 175.54 1vc3 s VAL 88 N 1.56 2.04 -0.05 -1.59 1.01 -0.14 -4.93 120.40 118.29 1vc3 s VAL 88 Ca 0.05 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.01 1vc3 s VAL 88 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1vc3 s VAL 88 CO 0.02 0.57 -0.23 0.00 0.00 0.00 0.00 175.10 175.47 1vc3 s ALA 89 N -0.38 2.28 -0.01 5.51 0.00 -1.26 -0.68 121.76 127.22 1vc3 s ALA 89 Ca 0.03 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 51.02 1vc3 s ALA 89 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1vc3 s ALA 89 CO 0.01 0.46 -0.24 0.71 0.00 0.00 0.00 175.76 176.70 1vc3 s TYR 90 N -0.35 2.38 0.44 0.00 1.51 -1.26 -5.06 117.35 115.00 1vc3 s TYR 90 Ca 0.02 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1vc3 s TYR 90 Cb -0.12 -1.49 -0.05 0.00 -0.11 0.00 0.00 41.96 40.19 1vc3 s TYR 90 CO 0.02 0.03 0.02 0.20 -1.11 0.00 0.00 175.55 174.71 1vc3 s GLY 91 N -0.79 2.69 -0.25 0.71 0.00 -1.26 -5.02 107.32 103.40 1vc3 s GLY 91 Ca 0.11 -1.44 -0.04 0.00 0.00 0.00 0.00 44.72 43.34 1vc3 s GLY 91 CO 0.00 -2.10 -0.00 0.14 0.00 0.00 0.00 173.10 171.14 1vc3 s VAL 92 N -2.87 3.49 0.23 1.40 1.01 -1.26 -5.09 120.40 117.31 1vc3 s VAL 92 Ca 0.23 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 61.67 1vc3 s VAL 92 Cb 0.06 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1vc3 s VAL 92 CO 0.12 0.27 -0.17 -0.36 0.00 0.00 0.00 175.10 174.96 1vc3 s PHE 93 N 1.46 2.41 0.59 5.22 0.40 -1.26 -5.11 117.98 121.69 1vc3 s PHE 93 Ca 0.04 -0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1vc3 s PHE 93 Cb -0.16 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.23 1vc3 s PHE 93 CO -0.01 0.59 0.94 -0.51 0.70 0.00 0.00 175.22 176.93 1vc3 s ASP 94 N -3.11 5.93 0.20 1.36 1.01 -1.26 -4.83 116.67 115.97 1vc3 s ASP 94 Ca 0.26 1.04 -0.10 0.00 0.71 0.00 0.00 52.55 54.46 1vc3 s ASP 94 Cb -0.07 -2.11 0.26 0.00 1.01 0.00 0.00 42.92 42.01 1vc3 s ASP 94 CO 0.14 -0.92 1.73 -0.08 0.21 0.00 0.00 175.17 176.25 1vc3 h GLU 95 N -0.19 0.33 -0.54 8.23 4.81 -2.00 -0.23 114.58 124.99 1vc3 h GLU 95 Ca -0.45 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.72 1vc3 h GLU 95 Cb 1.22 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1vc3 h GLU 95 CO 0.62 0.22 0.18 1.49 -0.73 0.00 0.00 179.01 180.79 1vc3 h GLU 96 N 0.34 0.84 -0.08 1.92 4.81 -1.99 -2.43 114.58 117.99 1vc3 h GLU 96 Ca 0.29 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1vc3 h GLU 96 Cb 0.38 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1vc3 h GLU 96 CO -0.32 0.76 -0.48 1.49 -0.73 0.00 0.00 179.01 179.73 1vc3 h GLU 97 N 0.75 0.20 -0.66 1.92 4.81 -1.83 -2.92 114.58 116.84 1vc3 h GLU 97 Ca 0.18 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1vc3 h GLU 97 Cb 0.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1vc3 h GLU 97 CO -0.01 0.64 0.10 0.00 -0.73 0.00 0.00 179.01 179.01 1vc3 h ALA 98 N 1.35 0.93 0.00 2.92 0.00 -0.81 -2.35 119.26 121.29 1vc3 h ALA 98 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vc3 h ALA 98 Cb 0.91 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1vc3 h ALA 98 CO 0.07 0.66 0.00 0.54 0.00 0.00 0.00 179.25 180.53 1vc3 n ARG 99 N -4.21 0.05 -0.07 0.00 1.74 -0.93 -2.81 116.66 110.42 1vc3 n ARG 99 Ca 0.04 0.23 0.02 0.00 -0.77 0.00 0.00 57.85 57.38 1vc3 n ARG 99 Cb 0.29 -1.59 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1vc3 n ARG 99 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1vc3 n ASN 100 N -1.68 2.35 -4.75 0.55 4.13 -0.94 -5.04 115.26 109.89 1vc3 n ASN 100 Ca 0.04 -1.99 -0.41 0.00 1.68 0.00 0.00 54.58 53.90 1vc3 n ASN 100 Cb 0.23 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 1vc3 n ASN 100 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1vc3 s LEU 101 N -0.99 4.44 -0.42 3.41 2.96 -0.93 -5.00 118.68 122.14 1vc3 s LEU 101 Ca 0.09 2.52 0.02 0.00 -0.22 0.00 0.00 54.13 56.54 1vc3 s LEU 101 Cb 0.05 -3.63 0.13 0.00 0.50 0.00 0.00 46.19 43.24 1vc3 s LEU 101 CO 0.06 -0.49 0.21 -1.59 -1.32 0.00 0.00 176.35 173.22 1vc3 s LYS 102 N -1.01 1.23 0.63 1.98 0.00 -1.26 -4.88 119.74 116.43 1vc3 s LYS 102 Ca 0.52 -1.88 -0.18 0.00 0.00 0.00 0.00 55.97 54.43 1vc3 s LYS 102 Cb -0.38 -2.34 -0.03 0.00 0.00 0.00 0.00 37.83 35.09 1vc3 s LYS 102 CO 0.45 -1.13 1.14 -2.30 0.00 0.00 0.00 175.35 173.51 1vc3 n PRO 103 N 3.75 0.99 -3.68 1.78 -0.02 -1.26 -3.74 135.00 132.81 1vc3 n PRO 103 Ca 0.07 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.58 1vc3 n PRO 103 Cb 0.36 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 1vc3 n PRO 103 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1vc3 s THR 104 N -1.45 5.38 -0.15 3.45 2.01 -1.26 -0.49 115.64 123.13 1vc3 s THR 104 Ca 0.80 0.23 0.01 0.00 0.31 0.00 0.00 61.69 63.04 1vc3 s THR 104 Cb -0.39 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.64 1vc3 s THR 104 CO 0.43 0.40 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.90 1vc3 s VAL 105 N 0.60 1.79 -0.24 3.82 1.01 0.61 -4.98 120.40 123.01 1vc3 s VAL 105 Ca 0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1vc3 s VAL 105 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1vc3 s VAL 105 CO 0.01 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 1vc3 s VAL 106 N 1.22 4.81 -0.15 2.92 1.01 -1.26 -0.52 120.40 128.43 1vc3 s VAL 106 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1vc3 s VAL 106 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1vc3 s VAL 106 CO -0.08 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 174.66 1vc3 s LEU 107 N 1.29 3.82 0.22 3.92 1.43 0.32 -5.02 118.68 124.67 1vc3 s LEU 107 Ca 0.06 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 1vc3 s LEU 107 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1vc3 s LEU 107 CO 0.05 0.26 -0.03 0.68 0.23 0.00 0.00 176.35 177.54 1vc3 s VAL 108 N -0.13 1.12 0.00 -1.59 -7.23 -1.26 -0.25 120.40 111.07 1vc3 s VAL 108 Ca 0.07 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1vc3 s VAL 108 Cb -0.12 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1vc3 s VAL 108 CO 0.01 -0.39 0.00 -0.90 -0.31 0.00 0.00 175.10 173.52 1vc3 n ASP 109 N -0.40 0.00 0.01 4.85 5.68 0.23 -4.84 116.55 122.08 1vc3 n ASP 109 Ca -0.06 -0.87 0.06 0.00 -0.50 0.00 0.00 54.79 53.42 1vc3 n ASP 109 Cb 0.63 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.86 1vc3 n ASP 109 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1vc3 n GLU 110 N -0.87 0.02 -0.13 0.11 0.00 -1.26 -1.19 120.64 117.32 1vc3 n GLU 110 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 57.16 57.54 1vc3 n GLU 110 Cb 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 31.44 30.02 1vc3 n GLU 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1vc3 n ARG 111 N -1.57 2.58 -2.30 3.44 5.12 -1.26 -4.96 116.66 117.71 1vc3 n ARG 111 Ca 0.02 -1.85 -0.10 0.00 -1.93 0.00 0.00 57.85 53.99 1vc3 n ARG 111 Cb 0.13 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 1vc3 n ARG 111 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1vc3 n ASN 112 N 0.37 -3.44 -4.87 0.55 5.03 -0.34 -4.53 115.26 108.03 1vc3 n ASN 112 Ca 0.09 -0.04 -0.35 0.00 0.87 0.00 0.00 54.58 55.15 1vc3 n ASN 112 Cb 0.38 -2.60 -0.05 0.00 -1.02 0.00 0.00 39.78 36.48 1vc3 n ASN 112 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1vc3 s ARG 113 N -4.65 3.68 0.06 3.52 3.00 -1.26 -4.70 118.95 118.59 1vc3 s ARG 113 Ca 0.04 0.06 -0.31 0.00 0.00 0.00 0.00 55.73 55.52 1vc3 s ARG 113 Cb -0.02 -3.05 -0.06 0.00 0.00 0.00 0.00 34.95 31.82 1vc3 s ARG 113 CO 0.05 0.61 1.35 0.42 0.00 0.00 0.00 175.30 177.73 1vc3 s ILE 114 N -1.33 3.63 -0.23 1.52 1.01 -1.26 -0.60 121.20 123.94 1vc3 s ILE 114 Ca 0.30 1.12 0.05 0.00 0.00 0.00 0.00 60.65 62.12 1vc3 s ILE 114 Cb -0.14 -3.72 -0.17 0.00 0.01 0.00 0.00 42.46 38.44 1vc3 s ILE 114 CO 0.17 0.05 -0.15 0.18 0.00 0.00 0.00 174.94 175.19 1vc3 n LEU 115 N 4.47 2.30 -3.55 2.97 4.77 0.66 -4.91 117.00 123.72 1vc3 n LEU 115 Ca 0.11 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1vc3 n LEU 115 Cb 0.44 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1vc3 n LEU 115 CO 0.58 0.80 0.78 -0.70 -1.33 0.00 0.00 177.39 177.52 1vc3 s GLU 116 N -2.47 0.64 -0.06 3.23 2.12 -1.08 -5.02 118.70 116.06 1vc3 s GLU 116 Ca -0.27 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1vc3 s GLU 116 Cb 0.08 0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.78 1vc3 s GLU 116 CO 0.60 -0.25 -0.07 0.08 -0.54 0.00 0.00 175.26 175.07 1vc3 s VAL 117 N -2.29 0.77 0.10 3.70 1.01 -1.26 -0.52 120.40 121.91 1vc3 s VAL 117 Ca 0.04 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.86 1vc3 s VAL 117 Cb -0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1vc3 s VAL 117 CO -0.05 0.29 -0.13 -0.13 0.00 0.00 0.00 175.10 175.08 1vc3 s ARG 118 N 1.09 2.03 -0.05 2.72 0.52 0.32 -4.95 118.95 120.63 1vc3 s ARG 118 Ca -0.08 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1vc3 s ARG 118 Cb -0.14 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 33.10 1vc3 s ARG 118 CO -0.01 0.51 -0.07 0.15 0.02 0.00 0.00 175.30 175.90 1vc3 s LYS 119 N -2.08 1.10 0.00 3.54 1.02 -1.26 -0.29 119.74 121.78 1vc3 s LYS 119 Ca 0.19 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1vc3 s LYS 119 Cb -0.11 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 1vc3 s LYS 119 CO 0.11 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.89