#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvh s GLU 2 N 0.00 0.77 -0.84 0.00 2.12 -1.26 -4.97 118.70 114.52 1bvh s GLU 2 Ca 0.00 0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.73 1bvh s GLU 2 Cb 0.00 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.76 1bvh s GLU 2 CO 0.00 -0.17 0.63 0.94 -0.54 0.00 0.00 175.26 176.11 1bvh n GLN 3 N 1.92 -1.45 -2.38 4.30 -0.06 -1.26 -4.92 117.38 113.54 1bvh n GLN 3 Ca -0.17 0.84 -0.28 0.00 -2.00 0.00 0.00 57.00 55.40 1bvh n GLN 3 Cb 0.56 -2.91 0.01 0.00 -4.06 0.00 0.00 30.24 23.84 1bvh n GLN 3 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1bvh s VAL 4 N -3.02 4.41 -0.51 1.69 0.11 -1.26 -4.94 120.40 116.87 1bvh s VAL 4 Ca 0.03 0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 1bvh s VAL 4 Cb -0.01 -3.72 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 1bvh s VAL 4 CO 0.87 -0.78 2.18 0.42 -3.33 0.00 0.00 175.10 174.47 1bvh s THR 5 N -2.93 3.15 1.02 5.04 -4.23 -1.26 -4.91 115.64 111.52 1bvh s THR 5 Ca 0.51 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.90 1bvh s THR 5 Cb -0.11 -3.37 -0.09 0.00 1.34 0.00 0.00 72.50 70.28 1bvh s THR 5 CO 0.47 -0.35 -0.83 1.17 -0.54 0.00 0.00 174.62 174.55 1bvh n LYS 6 N 9.03 -0.42 -3.71 3.99 4.81 -0.72 -4.61 118.16 126.53 1bvh n LYS 6 Ca 0.30 -0.12 -0.26 0.00 -0.87 0.00 0.00 58.31 57.37 1bvh n LYS 6 Cb 0.53 -1.26 -0.17 0.00 0.02 0.00 0.00 35.03 34.15 1bvh n LYS 6 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1bvh s SER 7 N -1.31 2.37 -0.09 3.14 1.04 -1.26 -2.28 113.70 115.31 1bvh s SER 7 Ca 0.44 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1bvh s SER 7 Cb -0.04 -0.45 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1bvh s SER 7 CO 0.70 -0.29 -0.17 0.54 0.98 0.00 0.00 173.24 175.00 1bvh s VAL 8 N 1.97 2.78 -0.16 5.02 0.11 -1.02 -2.18 120.40 126.92 1bvh s VAL 8 Ca 0.01 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1bvh s VAL 8 Cb -0.15 -2.11 0.03 0.00 -1.53 0.00 0.00 36.38 32.62 1bvh s VAL 8 CO -0.07 0.56 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.91 1bvh s LEU 9 N -0.10 1.85 -0.41 2.54 2.96 -0.80 -2.22 118.68 122.50 1bvh s LEU 9 Ca -0.03 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.21 1bvh s LEU 9 Cb -0.14 -1.18 0.10 0.00 0.50 0.00 0.00 46.19 45.47 1bvh s LEU 9 CO 0.04 -0.09 0.23 -0.36 -1.32 0.00 0.00 176.35 174.85 1bvh s PHE 10 N 1.47 3.46 0.10 5.38 0.08 -0.62 -1.27 117.98 126.58 1bvh s PHE 10 Ca 0.03 -2.01 0.04 0.00 0.12 0.00 0.00 56.93 55.11 1bvh s PHE 10 Cb -0.14 -3.10 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 1bvh s PHE 10 CO -0.10 -0.93 0.07 0.08 -0.10 0.00 0.00 175.22 174.25 1bvh s VAL 11 N 1.27 4.41 -0.24 -0.44 1.01 -0.82 -2.07 120.40 123.52 1bvh s VAL 11 Ca 0.05 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1bvh s VAL 11 Cb -0.23 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.07 1bvh s VAL 11 CO -0.01 0.07 0.62 0.00 0.00 0.00 0.00 175.10 175.78 1bvh n LEU 13 N 3.28 2.21 -1.25 0.00 7.94 -1.26 -3.07 117.00 124.85 1bvh n LEU 13 Ca -0.16 0.91 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 1bvh n LEU 13 Cb 0.56 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1bvh n LEU 13 CO 0.04 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.42 1bvh n GLY 14 N 4.95 -0.29 0.17 -3.96 0.00 -1.26 -4.87 105.19 99.93 1bvh n GLY 14 Ca 0.32 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1bvh n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bvh n ASN 15 N -0.61 0.51 0.00 1.61 2.85 -1.17 -4.59 115.26 113.86 1bvh n ASN 15 Ca 0.00 0.71 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 1bvh n ASN 15 Cb 0.20 -0.75 0.00 0.00 1.24 0.00 0.00 39.78 40.47 1bvh n ASN 15 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1bvh n ILE 16 N -2.22 0.00 -2.24 -1.44 -6.64 -1.26 -4.23 119.36 101.32 1bvh n ILE 16 Ca -0.01 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.97 1bvh n ILE 16 Cb 0.12 -0.36 0.00 0.00 -1.44 0.00 0.00 39.64 37.96 1bvh n ILE 16 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1bvh n ARG 18 N 1.93 0.00 -2.99 0.00 3.00 -1.26 -4.49 116.66 112.85 1bvh n ARG 18 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1bvh n ARG 18 Cb 0.00 -2.44 -0.01 0.00 0.00 0.00 0.00 32.46 30.01 1bvh n ARG 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bvh n SER 19 N 0.00 -6.09 -4.48 6.15 2.88 -1.26 -4.35 113.62 106.47 1bvh n SER 19 Ca 0.00 0.94 -0.16 0.00 -1.33 0.00 0.00 58.87 58.32 1bvh n SER 19 Cb 0.00 -2.54 -0.15 0.00 -0.75 0.00 0.00 64.21 60.77 1bvh n SER 19 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1bvh n PRO 20 N 1.95 0.19 0.04 -1.46 -0.02 -1.26 -4.66 135.00 129.79 1bvh n PRO 20 Ca -0.08 -0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.12 1bvh n PRO 20 Cb 0.24 -2.11 0.51 0.00 -0.02 0.00 0.00 33.50 32.12 1bvh n PRO 20 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1bvh n ILE 21 N 6.76 0.34 -0.12 4.25 -0.00 -1.26 -3.12 119.36 126.21 1bvh n ILE 21 Ca 0.52 -0.04 -0.11 0.00 -0.00 0.00 0.00 62.75 63.12 1bvh n ILE 21 Cb 0.30 -0.63 -0.02 0.00 -0.00 0.00 0.00 39.64 39.29 1bvh n ILE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bvh h ALA 22 N 2.75 0.50 0.14 -1.39 0.00 -1.81 -1.16 119.26 118.29 1bvh h ALA 22 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1bvh h ALA 22 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bvh h ALA 22 CO 0.00 0.36 -0.07 1.49 0.00 0.00 0.00 179.25 181.04 1bvh h GLU 23 N 0.50 -0.18 -0.97 0.00 4.22 -1.84 -2.72 114.58 113.59 1bvh h GLU 23 Ca 0.09 0.01 0.30 0.00 0.08 0.00 0.00 59.36 59.84 1bvh h GLU 23 Cb 0.61 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.75 1bvh h GLU 23 CO 0.04 0.11 0.48 0.00 -2.18 0.00 0.00 179.01 177.46 1bvh h ALA 24 N -0.71 1.78 0.11 2.92 0.00 -1.62 0.33 119.26 122.06 1bvh h ALA 24 Ca -0.02 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1bvh h ALA 24 Cb 0.38 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bvh h ALA 24 CO 0.03 -0.55 -0.05 0.28 0.00 0.00 0.00 179.25 178.96 1bvh h VAL 25 N 0.29 0.98 -1.12 0.00 2.07 -1.24 -2.00 116.25 115.22 1bvh h VAL 25 Ca 0.69 -0.31 0.33 0.00 0.82 0.00 0.00 66.70 68.22 1bvh h VAL 25 Cb 1.54 1.18 -0.11 0.00 -1.52 0.00 0.00 31.29 32.37 1bvh h VAL 25 CO -0.63 0.08 0.71 0.15 0.02 0.00 0.00 177.57 177.90 1bvh h PHE 26 N -0.29 0.65 0.26 1.57 3.04 -0.02 1.57 116.94 123.72 1bvh h PHE 26 Ca -0.01 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1bvh h PHE 26 Cb 0.24 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.57 1bvh h PHE 26 CO -0.03 -0.05 -0.12 -0.09 -2.02 0.00 0.00 178.31 176.00 1bvh h ARG 27 N 0.29 -0.34 -0.23 1.11 1.12 -0.75 -1.28 114.38 114.30 1bvh h ARG 27 Ca 0.68 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.58 1bvh h ARG 27 Cb 1.86 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.90 1bvh h ARG 27 CO -0.37 -0.15 0.00 1.17 -3.11 0.00 0.00 179.97 177.51 1bvh n LYS 28 N -5.19 1.41 -0.12 0.20 4.81 0.16 -2.15 118.16 117.28 1bvh n LYS 28 Ca -0.10 -0.57 -0.25 0.00 -0.87 0.00 0.00 58.31 56.52 1bvh n LYS 28 Cb 0.19 -1.18 -0.11 0.00 0.02 0.00 0.00 35.03 33.95 1bvh n LYS 28 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1bvh n LEU 29 N -0.02 2.22 -0.01 3.14 7.94 0.49 -3.87 117.00 126.89 1bvh n LEU 29 Ca 0.05 0.24 -0.20 0.00 -1.11 0.00 0.00 56.01 54.99 1bvh n LEU 29 Cb 0.16 -0.89 -0.14 0.00 0.53 0.00 0.00 43.42 43.09 1bvh n LEU 29 CO 0.04 0.63 -0.83 0.55 -1.11 0.00 0.00 177.39 176.66 1bvh n VAL 30 N -4.00 1.75 0.55 1.96 3.14 -0.67 -3.76 118.33 117.30 1bvh n VAL 30 Ca -0.47 -0.66 0.07 0.00 -2.96 0.00 0.00 64.34 60.32 1bvh n VAL 30 Cb 0.89 -1.65 0.32 0.00 -1.06 0.00 0.00 33.84 32.33 1bvh n VAL 30 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1bvh n THR 31 N -3.43 0.88 0.47 1.55 -1.04 -0.91 -1.67 114.28 110.13 1bvh n THR 31 Ca -0.32 0.22 0.11 0.00 -2.04 0.00 0.00 64.05 62.02 1bvh n THR 31 Cb 1.04 -0.98 -0.04 0.00 -1.82 0.00 0.00 70.33 68.53 1bvh n THR 31 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1bvh n ASP 32 N -1.42 0.55 0.00 8.00 2.03 -1.25 -4.73 116.55 119.73 1bvh n ASP 32 Ca 0.05 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1bvh n ASP 32 Cb 0.15 1.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 1bvh n ASP 32 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1bvh n GLN 33 N -2.01 0.00 0.00 -0.67 -0.06 -0.67 -5.06 117.38 108.92 1bvh n GLN 33 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1bvh n GLN 33 Cb 0.46 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.64 1bvh n GLN 33 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1bvh n ASN 34 N -1.15 0.00 -0.37 1.69 5.15 -1.01 -5.02 115.26 114.55 1bvh n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1bvh n ASN 34 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1bvh n ASN 34 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1bvh n ILE 35 N 0.00 0.00 0.06 -1.44 -5.35 -1.13 -4.85 119.36 106.66 1bvh n ILE 35 Ca 0.00 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.46 1bvh n ILE 35 Cb 0.00 0.51 -0.07 0.00 -1.74 0.00 0.00 39.64 38.34 1bvh n ILE 35 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1bvh h SER 36 N 0.00 0.00 -0.11 7.28 4.64 -1.90 -3.27 113.55 120.20 1bvh h SER 36 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1bvh h SER 36 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1bvh h SER 36 CO 0.00 0.70 0.10 -0.78 -0.87 0.00 0.00 176.83 175.98 1bvh h ASP 37 N 0.00 0.00 -0.97 4.97 1.82 -1.91 -1.96 116.42 118.36 1bvh h ASP 37 Ca -0.11 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.96 1bvh h ASP 37 Cb 1.63 0.00 -0.42 0.00 0.68 0.00 0.00 39.33 41.22 1bvh h ASP 37 CO 0.07 0.00 -0.71 0.59 -1.61 0.00 0.00 179.24 177.59 1bvh n ASN 38 N -4.06 5.02 -3.65 2.28 4.13 -1.23 -4.93 115.26 112.81 1bvh n ASN 38 Ca -0.00 -3.75 -0.11 0.00 1.68 0.00 0.00 54.58 52.41 1bvh n ASN 38 Cb 0.21 -0.41 -0.11 0.00 -1.54 0.00 0.00 39.78 37.93 1bvh n ASN 38 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1bvh s TRP 39 N -3.60 -0.65 -0.74 3.10 0.52 -0.74 -1.76 118.94 115.07 1bvh s TRP 39 Ca 0.51 1.29 -0.12 0.00 0.02 0.00 0.00 56.10 57.80 1bvh s TRP 39 Cb 0.41 0.16 0.19 0.00 -1.15 0.00 0.00 33.47 33.09 1bvh s TRP 39 CO -0.03 -0.44 0.66 0.08 0.02 0.00 0.00 176.95 177.25 1bvh s VAL 40 N 2.53 5.16 -0.14 4.03 1.01 -0.97 -4.88 120.40 127.15 1bvh s VAL 40 Ca -0.00 -2.43 -0.18 0.00 0.00 0.00 0.00 61.98 59.37 1bvh s VAL 40 Cb -0.12 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1bvh s VAL 40 CO -0.11 -0.97 0.46 -0.63 0.00 0.00 0.00 175.10 173.84 1bvh s ILE 41 N 0.32 5.19 -0.20 2.22 1.01 -1.26 -2.43 121.20 126.06 1bvh s ILE 41 Ca 0.16 0.90 -0.16 0.00 0.00 0.00 0.00 60.65 61.54 1bvh s ILE 41 Cb -0.15 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.58 1bvh s ILE 41 CO -0.06 0.31 0.51 -1.81 0.00 0.00 0.00 174.94 173.89 1bvh s ASP 42 N 0.69 -0.57 0.54 3.58 1.01 -0.94 -5.02 116.67 115.97 1bvh s ASP 42 Ca 0.24 1.05 0.06 0.00 0.71 0.00 0.00 52.55 54.61 1bvh s ASP 42 Cb -0.15 1.02 0.04 0.00 1.01 0.00 0.00 42.92 44.85 1bvh s ASP 42 CO 0.09 -0.19 0.48 -0.55 0.21 0.00 0.00 175.17 175.22 1bvh s SER 43 N 0.61 4.74 0.13 0.27 0.15 -1.26 -1.58 113.70 116.77 1bvh s SER 43 Ca -0.03 -1.14 -0.25 0.00 0.70 0.00 0.00 55.95 55.23 1bvh s SER 43 Cb -0.05 0.34 0.07 0.00 -1.71 0.00 0.00 66.02 64.68 1bvh s SER 43 CO -0.04 -1.13 1.02 -0.83 1.20 0.00 0.00 173.24 173.47 1bvh s GLY 44 N -4.35 -0.21 0.23 9.45 0.00 -0.88 -4.84 107.32 106.71 1bvh s GLY 44 Ca 0.40 0.15 -0.06 0.00 0.00 0.00 0.00 44.72 45.21 1bvh s GLY 44 CO 0.25 0.35 0.50 0.00 0.00 0.00 0.00 173.10 174.20 1bvh s ALA 45 N -3.00 3.66 -0.31 3.20 0.00 -1.06 -2.31 121.76 121.94 1bvh s ALA 45 Ca 0.14 -0.48 0.22 0.00 0.00 0.00 0.00 51.96 51.84 1bvh s ALA 45 Cb -0.01 -2.28 -0.29 0.00 0.00 0.00 0.00 23.12 20.54 1bvh s ALA 45 CO 0.02 0.45 0.62 1.55 0.00 0.00 0.00 175.76 178.40 1bvh n VAL 46 N -0.40 0.02 -0.88 0.00 3.14 -1.26 -2.58 118.33 116.38 1bvh n VAL 46 Ca -0.01 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1bvh n VAL 46 Cb 0.53 0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.57 1bvh n VAL 46 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1bvh n SER 47 N -2.06 0.00 -0.31 6.55 2.88 -1.26 -4.90 113.62 114.52 1bvh n SER 47 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1bvh n SER 47 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1bvh n SER 47 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1bvh n ASP 48 N 0.00 0.00 -0.96 -3.46 2.03 -1.26 -4.75 116.55 108.15 1bvh n ASP 48 Ca 0.00 -1.30 0.12 0.00 0.52 0.00 0.00 54.79 54.13 1bvh n ASP 48 Cb 0.00 -0.06 0.10 0.00 -0.72 0.00 0.00 41.12 40.44 1bvh n ASP 48 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1bvh n TRP 49 N 0.00 0.02 0.01 -0.67 2.14 -1.26 -4.15 117.44 113.54 1bvh n TRP 49 Ca 0.00 -0.01 0.01 0.00 2.07 0.00 0.00 57.50 59.57 1bvh n TRP 49 Cb 0.56 -0.00 0.02 0.00 -0.81 0.00 0.00 31.31 31.08 1bvh n TRP 49 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 1bvh n ASN 50 N 1.34 1.72 -4.54 -0.67 0.23 -1.26 -5.00 115.26 107.08 1bvh n ASN 50 Ca 0.14 -1.61 -0.46 0.00 -0.53 0.00 0.00 54.58 52.12 1bvh n ASN 50 Cb 0.59 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 38.23 1bvh n ASN 50 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1bvh n VAL 51 N -0.16 0.30 -0.54 3.53 0.31 -1.26 -0.85 118.33 119.66 1bvh n VAL 51 Ca 0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1bvh n VAL 51 Cb 0.18 -2.18 0.00 0.00 -0.91 0.00 0.00 33.84 30.92 1bvh n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bvh n GLY 52 N 6.02 1.54 3.16 2.92 0.00 -1.23 -4.81 105.19 112.79 1bvh n GLY 52 Ca 0.34 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1bvh n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bvh s ARG 53 N -1.80 2.35 0.38 1.61 0.52 -0.03 -4.99 118.95 117.00 1bvh s ARG 53 Ca 0.00 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1bvh s ARG 53 Cb 0.00 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 1bvh s ARG 53 CO 0.00 0.18 0.57 -1.54 0.02 0.00 0.00 175.30 174.53 1bvh s SER 54 N 0.29 6.07 0.42 0.23 1.04 -1.26 -3.83 113.70 116.66 1bvh s SER 54 Ca -0.12 0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.34 1bvh s SER 54 Cb -0.15 -1.71 -0.11 0.00 0.10 0.00 0.00 66.02 64.15 1bvh s SER 54 CO 0.05 -0.46 0.88 -2.65 0.98 0.00 0.00 173.24 172.05 1bvh n PRO 55 N -1.85 1.10 -1.33 4.02 -0.02 -1.26 -4.57 135.00 131.09 1bvh n PRO 55 Ca -0.02 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.50 1bvh n PRO 55 Cb 0.57 -1.89 0.07 0.00 -0.02 0.00 0.00 33.50 32.23 1bvh n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bvh n ASP 56 N 0.66 -0.36 0.14 2.55 9.92 -1.26 -4.71 116.55 123.50 1bvh n ASP 56 Ca 0.10 0.64 0.12 0.00 -0.53 0.00 0.00 54.79 55.13 1bvh n ASP 56 Cb 0.39 -1.31 0.49 0.00 -0.64 0.00 0.00 41.12 40.06 1bvh n ASP 56 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1bvh h PRO 57 N -0.24 0.00 0.11 -0.24 0.13 -1.98 0.40 132.00 130.18 1bvh h PRO 57 Ca -0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.33 1bvh h PRO 57 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 1bvh h PRO 57 CO 0.45 0.00 -1.81 -0.09 -0.23 0.00 0.00 178.00 176.32 1bvh h ARG 58 N 0.00 0.24 0.00 0.86 9.65 -2.01 -3.34 114.38 119.77 1bvh h ARG 58 Ca 0.00 -0.41 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1bvh h ARG 58 Cb 0.42 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1bvh h ARG 58 CO 0.00 1.09 -0.59 0.00 2.80 0.00 0.00 179.97 183.28 1bvh n ALA 59 N -2.83 3.40 0.11 2.80 0.00 -1.13 -3.84 120.51 119.02 1bvh n ALA 59 Ca -0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 52.82 1bvh n ALA 59 Cb 1.05 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 19.47 1bvh n ALA 59 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1bvh h VAL 60 N 0.00 1.52 0.00 0.00 3.04 -1.04 -2.78 116.25 116.99 1bvh h VAL 60 Ca 0.00 -2.50 0.00 0.00 -1.01 0.00 0.00 66.70 63.19 1bvh h VAL 60 Cb 0.58 2.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 1bvh h VAL 60 CO 0.00 0.72 0.00 -0.24 -1.01 0.00 0.00 177.57 177.04 1bvh n SER 61 N -3.68 0.00 0.09 3.17 2.88 -1.25 -2.70 113.62 112.14 1bvh n SER 61 Ca -0.01 -0.86 0.12 0.00 -1.33 0.00 0.00 58.87 56.79 1bvh n SER 61 Cb 0.71 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.21 1bvh n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bvh n LEU 63 N -2.50 1.85 0.01 0.00 4.77 -1.10 -3.97 117.00 116.07 1bvh n LEU 63 Ca 0.01 0.48 0.04 0.00 -0.03 0.00 0.00 56.01 56.51 1bvh n LEU 63 Cb 0.52 -0.94 0.19 0.00 -2.33 0.00 0.00 43.42 40.86 1bvh n LEU 63 CO 0.39 0.07 0.63 0.54 -1.33 0.00 0.00 177.39 177.70 1bvh n ARG 64 N -4.48 0.02 0.00 3.23 1.74 -1.23 -1.27 116.66 114.66 1bvh n ARG 64 Ca -0.26 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1bvh n ARG 64 Cb 0.57 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1bvh n ARG 64 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1bvh n ASN 65 N -1.57 0.00 0.29 0.55 4.13 -1.21 -3.82 115.26 113.62 1bvh n ASN 65 Ca 0.02 0.14 0.15 0.00 1.68 0.00 0.00 54.58 56.56 1bvh n ASN 65 Cb 0.09 0.00 0.89 0.00 -1.54 0.00 0.00 39.78 39.21 1bvh n ASN 65 CO 0.00 0.00 0.00 1.12 0.28 0.00 0.00 177.26 178.66 1bvh h HIS 66 N 0.00 0.00 0.00 3.10 2.07 -1.75 -3.46 115.15 115.11 1bvh h HIS 66 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1bvh h HIS 66 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1bvh h HIS 66 CO 0.00 0.01 0.00 0.41 -3.07 0.00 0.00 177.93 175.28 1bvh n GLY 67 N -1.26 2.64 3.22 6.13 0.00 -0.82 -5.16 105.19 109.94 1bvh n GLY 67 Ca -0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1bvh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bvh s ILE 68 N 0.00 0.09 -0.07 -0.61 -1.09 -0.40 -4.89 121.20 114.24 1bvh s ILE 68 Ca 0.00 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1bvh s ILE 68 Cb 0.00 -0.89 0.03 0.00 -1.58 0.00 0.00 42.46 40.02 1bvh s ILE 68 CO 0.00 -0.41 0.03 0.54 -1.23 0.00 0.00 174.94 173.87 1bvh s ASN 69 N -2.00 1.47 0.45 3.58 2.20 -1.26 -4.59 114.94 114.80 1bvh s ASN 69 Ca -0.06 -0.06 0.04 0.00 -0.94 0.00 0.00 52.86 51.84 1bvh s ASN 69 Cb -0.01 -0.31 -0.04 0.00 -2.00 0.00 0.00 41.25 38.88 1bvh s ASN 69 CO -0.03 -0.23 0.02 0.28 -2.94 0.00 0.00 177.10 174.21 1bvh s THR 70 N 2.06 1.38 -0.42 0.54 -1.32 -1.26 -4.80 115.64 111.82 1bvh s THR 70 Ca 0.05 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.54 1bvh s THR 70 Cb -0.12 -2.50 0.23 0.00 -1.51 0.00 0.00 72.50 68.59 1bvh s THR 70 CO -0.05 0.00 0.98 0.00 -2.21 0.00 0.00 174.62 173.34 1bvh n ALA 71 N -1.09 -2.63 -3.64 11.08 0.00 -1.26 -5.14 120.51 117.82 1bvh n ALA 71 Ca -0.12 -0.68 -0.05 0.00 0.00 0.00 0.00 53.44 52.59 1bvh n ALA 71 Cb 0.67 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 1bvh n ALA 71 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1bvh s HIS 72 N 0.69 -0.51 -1.13 0.00 5.04 -1.26 -5.05 115.29 113.06 1bvh s HIS 72 Ca 0.28 1.10 -0.03 0.00 -1.54 0.00 0.00 55.06 54.87 1bvh s HIS 72 Cb 0.14 0.36 0.22 0.00 0.04 0.00 0.00 32.58 33.34 1bvh s HIS 72 CO -0.12 -0.25 2.12 1.17 -2.34 0.00 0.00 174.74 175.32 1bvh n LYS 73 N 3.07 4.86 0.00 2.88 3.00 -1.26 -4.95 118.16 125.77 1bvh n LYS 73 Ca -0.16 -4.01 0.00 0.00 -0.00 0.00 0.00 58.31 54.14 1bvh n LYS 73 Cb 0.57 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 33.08 1bvh n LYS 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bvh n ALA 74 N 0.74 0.00 -1.58 3.14 0.00 -1.25 -3.56 120.51 118.01 1bvh n ALA 74 Ca 0.54 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.02 1bvh n ALA 74 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 1bvh n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bvh n ARG 75 N 0.00 -4.00 -3.27 0.00 5.12 -1.26 -4.27 116.66 108.98 1bvh n ARG 75 Ca 0.00 3.14 -0.38 0.00 -1.93 0.00 0.00 57.85 58.67 1bvh n ARG 75 Cb 0.00 -4.03 -0.06 0.00 -1.16 0.00 0.00 32.46 27.21 1bvh n ARG 75 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1bvh s GLN 76 N -5.24 4.29 0.99 5.56 2.00 -1.26 -2.57 119.66 123.43 1bvh s GLN 76 Ca 0.00 0.61 -0.16 0.00 -2.00 0.00 0.00 55.36 53.81 1bvh s GLN 76 Cb 0.00 -3.37 -0.07 0.00 0.80 0.00 0.00 33.01 30.37 1bvh s GLN 76 CO 0.00 0.31 -0.35 0.28 -0.50 0.00 0.00 175.29 175.03 1bvh n VAL 77 N 3.01 0.00 -4.50 1.34 0.31 -1.06 -4.86 118.33 112.57 1bvh n VAL 77 Ca -0.07 -0.34 -0.23 0.00 -0.01 0.00 0.00 64.34 63.68 1bvh n VAL 77 Cb 0.51 -0.27 -0.11 0.00 -0.91 0.00 0.00 33.84 33.07 1bvh n VAL 77 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1bvh s THR 78 N -2.16 1.35 0.09 2.52 2.01 -1.26 -5.02 115.64 113.17 1bvh s THR 78 Ca 0.47 -2.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.20 1bvh s THR 78 Cb -0.17 -2.81 -0.13 0.00 0.01 0.00 0.00 72.50 69.40 1bvh s THR 78 CO 0.75 0.00 1.67 0.50 -0.69 0.00 0.00 174.62 176.85 1bvh h LYS 79 N 2.00 -0.42 -0.86 4.92 3.11 -1.95 -2.18 116.57 121.20 1bvh h LYS 79 Ca -0.41 0.03 0.17 0.00 -2.81 0.00 0.00 60.65 57.63 1bvh h LYS 79 Cb 1.25 0.10 -0.11 0.00 -1.00 0.00 0.00 32.23 32.47 1bvh h LYS 79 CO 0.72 -0.28 0.41 1.49 -2.81 0.00 0.00 179.45 178.97 1bvh h GLU 80 N -0.44 0.51 -0.80 1.90 4.81 -1.98 0.93 114.58 119.51 1bvh h GLU 80 Ca -0.01 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1bvh h GLU 80 Cb 0.39 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1bvh h GLU 80 CO -0.02 0.34 0.51 -0.44 -0.73 0.00 0.00 179.01 178.67 1bvh h ASP 81 N 0.52 0.84 -0.03 1.04 3.32 -1.81 0.65 116.42 120.95 1bvh h ASP 81 Ca 0.49 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.56 1bvh h ASP 81 Cb 0.80 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1bvh h ASP 81 CO -0.43 0.58 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.32 1bvh h PHE 82 N 0.99 -0.23 -0.00 4.55 -1.00 -0.33 -0.44 116.94 120.49 1bvh h PHE 82 Ca 0.32 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.11 1bvh h PHE 82 Cb 0.02 0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1bvh h PHE 82 CO -0.03 -0.14 -0.00 1.55 -1.61 0.00 0.00 178.31 178.08 1bvh n VAL 83 N -5.22 0.00 -0.06 -0.55 3.14 -0.95 -2.41 118.33 112.29 1bvh n VAL 83 Ca -0.05 -0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.30 1bvh n VAL 83 Cb 0.14 -0.49 -0.02 0.00 -1.06 0.00 0.00 33.84 32.42 1bvh n VAL 83 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1bvh h THR 84 N 0.02 0.22 -4.39 1.55 2.02 0.19 -3.40 112.91 109.11 1bvh h THR 84 Ca 0.00 -1.17 -0.49 0.00 0.77 0.00 0.00 66.41 65.52 1bvh h THR 84 Cb 0.27 0.42 0.10 0.00 -1.74 0.00 0.00 68.15 67.20 1bvh h THR 84 CO 0.00 0.07 0.37 -0.36 0.37 0.00 0.00 175.52 175.98 1bvh s PHE 85 N -1.71 3.04 -0.14 3.16 0.40 -0.74 -5.00 117.98 116.99 1bvh s PHE 85 Ca -0.04 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.40 1bvh s PHE 85 Cb -0.00 -3.13 -0.11 0.00 0.51 0.00 0.00 43.02 40.28 1bvh s PHE 85 CO 0.11 -1.53 -0.07 -3.47 0.70 0.00 0.00 175.22 170.95 1bvh n ASP 86 N -3.25 2.63 -4.08 1.36 -0.08 -1.12 -3.76 116.55 108.24 1bvh n ASP 86 Ca 0.07 -0.05 -0.37 0.00 -1.51 0.00 0.00 54.79 52.93 1bvh n ASP 86 Cb 0.57 0.10 -0.05 0.00 2.34 0.00 0.00 41.12 44.08 1bvh n ASP 86 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1bvh n TYR 87 N -2.76 4.17 -2.81 -0.67 4.01 -0.93 0.56 117.16 118.73 1bvh n TYR 87 Ca -0.24 -4.01 -0.43 0.00 -0.16 0.00 0.00 57.90 53.06 1bvh n TYR 87 Cb 0.81 -1.17 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 1bvh n TYR 87 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bvh s ILE 88 N -1.55 4.54 0.57 -0.72 1.01 0.24 -1.91 121.20 123.37 1bvh s ILE 88 Ca 0.29 -1.62 0.05 0.00 0.00 0.00 0.00 60.65 59.38 1bvh s ILE 88 Cb -0.05 -4.91 0.07 0.00 0.01 0.00 0.00 42.46 37.58 1bvh s ILE 88 CO -0.10 -1.68 0.78 -0.76 0.00 0.00 0.00 174.94 173.18 1bvh s LEU 89 N 3.16 3.24 -0.04 2.97 1.02 -0.39 -2.18 118.68 126.46 1bvh s LEU 89 Ca 0.40 -0.49 -0.15 0.00 0.02 0.00 0.00 54.13 53.91 1bvh s LEU 89 Cb -0.02 -2.18 0.03 0.00 0.02 0.00 0.00 46.19 44.03 1bvh s LEU 89 CO -0.06 -1.28 0.33 0.00 0.02 0.00 0.00 176.35 175.35 1bvh n MET 91 N 1.55 0.69 0.32 0.00 2.81 -0.88 -2.18 117.12 119.42 1bvh n MET 91 Ca -0.20 0.26 0.14 0.00 -1.81 0.00 0.00 57.70 56.09 1bvh n MET 91 Cb 0.56 -1.73 0.75 0.00 -0.71 0.00 0.00 33.22 32.09 1bvh n MET 91 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1bvh h ASP 92 N 0.63 0.00 -0.07 7.83 1.82 -1.80 -2.89 116.42 121.94 1bvh h ASP 92 Ca -0.44 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.21 1bvh h ASP 92 Cb 1.39 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 1bvh h ASP 92 CO 0.50 0.00 -0.05 -0.33 -1.61 0.00 0.00 179.24 177.75 1bvh h GLU 93 N 0.00 -0.02 -5.16 0.28 5.08 0.15 -2.94 114.58 111.98 1bvh h GLU 93 Ca 0.01 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.68 1bvh h GLU 93 Cb 0.80 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.90 1bvh h GLU 93 CO -0.00 -0.01 1.24 0.45 -1.00 0.00 0.00 179.01 179.69 1bvh s SER 94 N -3.08 6.79 -0.76 1.42 0.15 -1.09 -4.91 113.70 112.21 1bvh s SER 94 Ca -0.01 -2.33 -0.16 0.00 0.70 0.00 0.00 55.95 54.14 1bvh s SER 94 Cb 0.01 -2.44 -0.19 0.00 -1.71 0.00 0.00 66.02 61.69 1bvh s SER 94 CO 0.06 -1.02 2.01 -3.20 1.20 0.00 0.00 173.24 172.29 1bvh n ASN 95 N 6.74 0.02 -3.49 5.45 2.85 -1.11 -3.47 115.26 122.24 1bvh n ASN 95 Ca 0.32 -1.40 -0.17 0.00 -0.11 0.00 0.00 54.58 53.22 1bvh n ASN 95 Cb 0.47 -1.14 -0.04 0.00 1.24 0.00 0.00 39.78 40.31 1bvh n ASN 95 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1bvh n LEU 96 N 12.42 -0.40 0.00 1.20 0.00 -1.26 -4.84 117.00 124.12 1bvh n LEU 96 Ca 0.43 -0.64 0.00 0.00 0.00 0.00 0.00 56.01 55.80 1bvh n LEU 96 Cb 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 43.42 43.00 1bvh n LEU 96 CO 0.71 0.26 0.00 -1.14 0.00 0.00 0.00 177.39 177.22 1bvh n ARG 97 N -2.82 0.00 0.01 1.96 0.63 -1.23 -3.86 116.66 111.36 1bvh n ARG 97 Ca -0.15 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.68 1bvh n ARG 97 Cb 0.34 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.20 1bvh n ARG 97 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1bvh h ASP 98 N 0.00 -0.21 -0.77 6.15 3.58 -1.90 -0.10 116.42 123.17 1bvh h ASP 98 Ca 0.00 0.04 0.22 0.00 0.42 0.00 0.00 57.03 57.72 1bvh h ASP 98 Cb 0.00 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1bvh h ASP 98 CO 0.00 -0.10 0.73 -0.07 -2.88 0.00 0.00 179.24 176.92 1bvh h LEU 99 N -0.08 0.00 0.21 2.28 3.38 -1.91 0.57 115.31 119.76 1bvh h LEU 99 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 1bvh h LEU 99 Cb 0.16 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.94 1bvh h LEU 99 CO -0.13 0.00 -1.39 -1.13 0.09 0.00 0.00 178.44 175.88 1bvh h ASN 100 N 0.00 0.72 -0.12 -0.43 -0.73 -1.13 -3.23 115.58 110.65 1bvh h ASN 100 Ca 0.37 -0.76 0.00 0.00 1.87 0.00 0.00 56.30 57.78 1bvh h ASN 100 Cb 1.82 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.17 1bvh h ASN 100 CO -0.00 1.59 0.00 -1.14 -0.37 0.00 0.00 177.43 177.51 1bvh n ARG 101 N -3.66 1.72 0.08 6.67 0.00 0.15 -3.76 116.66 117.87 1bvh n ARG 101 Ca -0.14 -1.08 0.01 0.00 -0.00 0.00 0.00 57.85 56.64 1bvh n ARG 101 Cb 1.07 -1.42 -0.04 0.00 0.00 0.00 0.00 32.46 32.07 1bvh n ARG 101 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1bvh h LYS 102 N 2.29 0.00 0.00 -0.14 1.79 -0.18 -3.28 116.57 117.06 1bvh h LYS 102 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1bvh h LYS 102 Cb 0.50 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1bvh h LYS 102 CO 0.00 0.44 -0.01 0.66 -1.08 0.00 0.00 179.45 179.45 1bvh h SER 103 N 0.00 0.00 0.58 0.86 4.64 -1.68 -1.75 113.55 116.20 1bvh h SER 103 Ca -0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 1bvh h SER 103 Cb 1.51 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.61 1bvh h SER 103 CO 0.06 0.01 -0.28 -1.13 -0.87 0.00 0.00 176.83 174.62 1bvh h ASN 104 N 0.00 -0.66 -0.20 4.97 -0.73 -1.81 -2.86 115.58 114.30 1bvh h ASN 104 Ca -0.00 0.02 0.06 0.00 1.87 0.00 0.00 56.30 58.25 1bvh h ASN 104 Cb 0.03 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 1bvh h ASN 104 CO 0.00 -0.27 0.32 1.56 -0.37 0.00 0.00 177.43 178.67 1bvh h GLN 105 N -1.19 0.00 -6.31 6.67 1.08 -1.66 -3.36 115.11 110.34 1bvh h GLN 105 Ca -0.08 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.55 1bvh h GLN 105 Cb 0.60 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.94 1bvh h GLN 105 CO 0.13 0.00 0.83 0.08 -0.95 0.00 0.00 178.83 178.93 1bvh s VAL 106 N -4.43 4.14 -0.40 -0.54 1.01 -0.68 -4.95 120.40 114.56 1bvh s VAL 106 Ca -0.04 0.65 -0.43 0.00 0.00 0.00 0.00 61.98 62.17 1bvh s VAL 106 Cb 0.13 -4.67 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 1bvh s VAL 106 CO 0.45 -1.29 1.81 2.29 0.00 0.00 0.00 175.10 178.37 1bvh n LYS 107 N 8.13 0.57 -4.02 2.72 -0.00 -1.26 -0.73 118.16 123.57 1bvh n LYS 107 Ca 0.06 0.20 -0.41 0.00 -0.00 0.00 0.00 58.31 58.16 1bvh n LYS 107 Cb 0.48 -1.84 0.01 0.00 -0.00 0.00 0.00 35.03 33.68 1bvh n LYS 107 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1bvh n ASN 108 N 5.77 -3.58 -4.22 -5.58 4.13 -1.26 -4.82 115.26 105.69 1bvh n ASN 108 Ca 0.34 -1.23 -0.34 0.00 1.68 0.00 0.00 54.58 55.03 1bvh n ASN 108 Cb 0.05 -2.09 0.10 0.00 -1.54 0.00 0.00 39.78 36.30 1bvh n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bvh n ARG 110 N -0.26 0.97 -3.36 0.00 3.00 -1.22 -4.86 116.66 110.92 1bvh n ARG 110 Ca 0.02 -2.60 -0.18 0.00 -0.00 0.00 0.00 57.85 55.09 1bvh n ARG 110 Cb 0.60 -1.35 -0.08 0.00 0.00 0.00 0.00 32.46 31.63 1bvh n ARG 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bvh s ALA 111 N -0.92 -0.26 -0.44 5.13 0.00 -1.01 -4.19 121.76 120.07 1bvh s ALA 111 Ca 0.31 -1.13 -0.41 0.00 0.00 0.00 0.00 51.96 50.73 1bvh s ALA 111 Cb 0.31 -2.01 -0.16 0.00 0.00 0.00 0.00 23.12 21.26 1bvh s ALA 111 CO -0.08 -2.15 2.15 1.63 0.00 0.00 0.00 175.76 177.32 1bvh n LYS 112 N 4.15 0.40 -3.18 0.00 5.02 0.19 -4.31 118.16 120.42 1bvh n LYS 112 Ca 0.12 0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 56.16 1bvh n LYS 112 Cb 0.44 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1bvh n LYS 112 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1bvh s ILE 113 N 6.42 4.66 0.29 -0.18 -1.09 -1.26 -0.60 121.20 129.45 1bvh s ILE 113 Ca 1.16 1.15 -0.18 0.00 -2.23 0.00 0.00 60.65 60.55 1bvh s ILE 113 Cb -1.27 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 35.85 1bvh s ILE 113 CO 0.60 0.23 0.88 1.21 -1.23 0.00 0.00 174.94 176.64 1bvh n GLU 114 N 0.79 0.89 -4.24 2.79 2.13 -0.93 -4.94 120.64 117.14 1bvh n GLU 114 Ca -0.04 -1.84 -0.18 0.00 0.66 0.00 0.00 57.16 55.77 1bvh n GLU 114 Cb 0.51 2.36 -0.13 0.00 0.27 0.00 0.00 31.44 34.46 1bvh n GLU 114 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1bvh s LEU 115 N 0.00 2.18 -0.38 4.31 0.05 -1.26 -0.44 118.68 123.13 1bvh s LEU 115 Ca 0.19 -0.44 -0.44 0.00 0.05 0.00 0.00 54.13 53.49 1bvh s LEU 115 Cb -0.04 -0.44 -0.18 0.00 -2.05 0.00 0.00 46.19 43.48 1bvh s LEU 115 CO 0.09 -0.03 1.67 -0.11 -0.55 0.00 0.00 176.35 177.41 1bvh n LEU 116 N 1.89 1.78 -4.18 1.48 7.94 -0.93 -4.84 117.00 120.14 1bvh n LEU 116 Ca -0.19 1.13 -0.12 0.00 -1.11 0.00 0.00 56.01 55.72 1bvh n LEU 116 Cb 0.55 -1.01 -0.10 0.00 0.53 0.00 0.00 43.42 43.39 1bvh n LEU 116 CO 0.23 -0.65 -0.40 -0.83 -1.11 0.00 0.00 177.39 174.63 1bvh s GLY 117 N 3.23 0.82 -0.53 -3.96 0.00 -1.26 -4.60 107.32 101.02 1bvh s GLY 117 Ca 1.02 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 44.19 1bvh s GLY 117 CO 0.74 -1.38 2.15 -0.56 0.00 0.00 0.00 173.10 174.05 1bvh s SER 118 N -2.79 4.86 0.00 1.64 0.01 -1.26 -4.84 113.70 111.32 1bvh s SER 118 Ca 0.09 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.16 1bvh s SER 118 Cb 0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1bvh s SER 118 CO -0.02 -2.60 0.00 -1.22 0.41 0.00 0.00 173.24 169.80 1bvh n TYR 119 N 14.27 0.00 0.28 2.43 4.01 -1.26 -4.81 117.16 132.08 1bvh n TYR 119 Ca 0.29 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1bvh n TYR 119 Cb 0.53 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.51 1bvh n TYR 119 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1bvh h ASP 120 N 0.00 -0.63 -4.25 7.72 5.19 -1.88 -3.44 116.42 119.12 1bvh h ASP 120 Ca 0.00 0.02 -0.50 0.00 -0.62 0.00 0.00 57.03 55.93 1bvh h ASP 120 Cb 0.00 0.16 0.12 0.00 0.18 0.00 0.00 39.33 39.80 1bvh h ASP 120 CO 0.00 -0.30 0.31 -2.16 -3.12 0.00 0.00 179.24 173.97 1bvh s PRO 121 N -4.09 2.07 -0.26 3.56 0.04 -1.26 -4.97 135.00 130.09 1bvh s PRO 121 Ca -0.11 0.92 0.12 0.00 0.04 0.00 0.00 61.00 61.97 1bvh s PRO 121 Cb 0.01 -1.89 0.58 0.00 0.04 0.00 0.00 34.50 33.24 1bvh s PRO 121 CO 0.33 -1.70 1.55 1.04 0.04 0.00 0.00 177.00 178.25 1bvh n GLN 122 N -3.53 2.73 -1.53 4.56 3.00 -1.26 -4.71 117.38 116.64 1bvh n GLN 122 Ca 0.08 -3.02 -0.42 0.00 -0.01 0.00 0.00 57.00 53.63 1bvh n GLN 122 Cb 0.54 -1.94 -0.06 0.00 0.00 0.00 0.00 30.24 28.79 1bvh n GLN 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1bvh n LYS 123 N -0.66 1.10 -1.87 -1.09 3.00 -1.26 -4.81 118.16 112.57 1bvh n LYS 123 Ca 0.32 0.18 -0.40 0.00 -0.00 0.00 0.00 58.31 58.41 1bvh n LYS 123 Cb 1.09 -2.89 -0.01 0.00 0.00 0.00 0.00 35.03 33.22 1bvh n LYS 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1bvh n GLN 124 N 8.68 4.33 -0.05 1.64 6.02 -1.26 -4.41 117.38 132.33 1bvh n GLN 124 Ca 0.41 -3.20 -0.11 0.00 -0.01 0.00 0.00 57.00 54.08 1bvh n GLN 124 Cb 0.37 -2.69 -0.04 0.00 1.02 0.00 0.00 30.24 28.90 1bvh n GLN 124 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1bvh n LEU 125 N 2.30 1.28 -1.53 1.08 -0.00 -1.26 -5.12 117.00 113.75 1bvh n LEU 125 Ca 0.64 0.21 0.00 0.00 -0.00 0.00 0.00 56.01 56.86 1bvh n LEU 125 Cb 0.25 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1bvh n LEU 125 CO 0.73 -0.04 -0.45 -0.38 -0.00 0.00 0.00 177.39 177.25 1bvh n ILE 126 N -3.83 -3.88 -3.62 1.96 2.08 -1.26 -4.79 119.36 106.03 1bvh n ILE 126 Ca -0.20 1.83 -0.39 0.00 0.56 0.00 0.00 62.75 64.54 1bvh n ILE 126 Cb 0.53 -2.74 -0.08 0.00 -0.75 0.00 0.00 39.64 36.60 1bvh n ILE 126 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1bvh s ILE 127 N -4.50 4.12 0.00 1.39 1.01 -1.26 -4.81 121.20 117.16 1bvh s ILE 127 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 60.65 58.12 1bvh s ILE 127 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1bvh s ILE 127 CO 0.00 -0.86 0.81 -0.62 0.00 0.00 0.00 174.94 174.27 1bvh n GLU 128 N 3.99 1.84 -3.60 2.79 1.02 -1.26 0.84 120.64 126.26 1bvh n GLU 128 Ca 0.05 -1.14 -0.34 0.00 -0.02 0.00 0.00 57.16 55.71 1bvh n GLU 128 Cb 0.40 -0.89 -0.05 0.00 -0.02 0.00 0.00 31.44 30.88 1bvh n GLU 128 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1bvh s ASP 129 N -0.66 6.59 0.99 1.62 1.47 -1.26 -4.83 116.67 120.60 1bvh s ASP 129 Ca 0.00 0.73 -0.13 0.00 1.18 0.00 0.00 52.55 54.33 1bvh s ASP 129 Cb 0.00 -2.15 0.18 0.00 -0.34 0.00 0.00 42.92 40.61 1bvh s ASP 129 CO 0.00 0.13 1.12 -2.16 0.68 0.00 0.00 175.17 174.94 1bvh s PRO 130 N -2.13 0.51 -0.22 2.11 0.04 -1.26 -4.98 135.00 129.07 1bvh s PRO 130 Ca 0.35 0.35 -0.08 0.00 0.04 0.00 0.00 61.00 61.66 1bvh s PRO 130 Cb -0.13 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1bvh s PRO 130 CO 0.20 -2.64 0.10 1.52 0.04 0.00 0.00 177.00 176.21 1bvh s TYR 131 N -3.11 3.23 -0.20 0.56 -0.85 -1.26 -5.06 117.35 110.66 1bvh s TYR 131 Ca 0.65 0.00 -0.04 0.00 -0.52 0.00 0.00 57.07 57.17 1bvh s TYR 131 Cb -0.16 -2.18 0.10 0.00 0.38 0.00 0.00 41.96 40.10 1bvh s TYR 131 CO 0.56 -0.00 0.26 0.71 -1.52 0.00 0.00 175.55 175.56 1bvh s TYR 132 N 0.90 -0.41 -0.89 -3.49 2.02 -1.26 -5.07 117.35 109.15 1bvh s TYR 132 Ca 0.05 0.44 -0.22 0.00 -0.37 0.00 0.00 57.07 56.97 1bvh s TYR 132 Cb -0.14 -0.24 -0.22 0.00 -0.40 0.00 0.00 41.96 40.96 1bvh s TYR 132 CO 0.03 -0.60 2.44 0.41 -1.57 0.00 0.00 175.55 176.26 1bvh n GLY 133 N 5.33 -0.34 0.00 0.71 0.00 -1.26 -4.51 105.19 105.12 1bvh n GLY 133 Ca -0.05 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1bvh n GLY 133 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bvh n ASN 134 N 10.87 0.39 -0.70 1.61 3.02 -1.26 -5.14 115.26 124.05 1bvh n ASN 134 Ca 0.59 -1.16 0.09 0.00 -0.03 0.00 0.00 54.58 54.08 1bvh n ASN 134 Cb 0.20 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 1bvh n ASN 134 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bvh n ASP 135 N -0.08 -3.99 0.00 6.41 8.00 -1.26 -4.84 116.55 120.79 1bvh n ASP 135 Ca 0.00 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1bvh n ASP 135 Cb 0.36 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.10 1bvh n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bvh n ALA 136 N -3.04 0.00 -3.69 2.24 0.00 -1.26 -4.95 120.51 109.81 1bvh n ALA 136 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.12 1bvh n ALA 136 Cb 0.33 -0.39 -0.16 0.00 0.00 0.00 0.00 19.45 19.23 1bvh n ALA 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bvh s ASP 137 N -2.32 3.28 0.00 0.00 1.01 -1.26 -4.88 116.67 112.50 1bvh s ASP 137 Ca 0.00 -1.11 0.00 0.00 0.71 0.00 0.00 52.55 52.15 1bvh s ASP 137 Cb 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.34 1bvh s ASP 137 CO 0.00 -0.36 0.00 0.49 0.21 0.00 0.00 175.17 175.51 1bvh n PHE 138 N 5.06 0.00 0.40 4.23 3.72 -1.26 -4.93 117.46 124.67 1bvh n PHE 138 Ca -0.06 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.46 1bvh n PHE 138 Cb 0.45 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.15 1bvh n PHE 138 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1bvh h GLU 139 N 0.00 0.00 0.00 -1.08 4.81 -2.00 -3.28 114.58 113.03 1bvh h GLU 139 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1bvh h GLU 139 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1bvh h GLU 139 CO 0.00 0.00 -0.70 1.15 -0.73 0.00 0.00 179.01 178.73 1bvh h THR 140 N 0.00 0.76 0.02 0.32 2.02 -1.92 -2.14 112.91 111.97 1bvh h THR 140 Ca 0.00 -2.13 -0.14 0.00 0.77 0.00 0.00 66.41 64.91 1bvh h THR 140 Cb 0.85 2.31 0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1bvh h THR 140 CO 0.00 0.43 -0.57 0.58 0.37 0.00 0.00 175.52 176.33 1bvh h VAL 141 N 0.00 1.46 -0.06 3.16 2.07 -1.94 -2.57 116.25 118.37 1bvh h VAL 141 Ca -0.04 -2.14 -0.23 0.00 0.82 0.00 0.00 66.70 65.12 1bvh h VAL 141 Cb 1.41 2.73 0.01 0.00 -1.52 0.00 0.00 31.29 33.92 1bvh h VAL 141 CO 0.06 0.61 -0.89 0.22 0.02 0.00 0.00 177.57 177.59 1bvh h TYR 142 N -0.22 0.89 0.79 1.57 3.20 -1.66 -1.07 116.97 120.47 1bvh h TYR 142 Ca -0.08 -0.44 -0.04 0.00 3.14 0.00 0.00 58.73 61.31 1bvh h TYR 142 Cb 1.31 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.47 1bvh h TYR 142 CO 0.16 1.26 -0.38 1.96 -1.64 0.00 0.00 178.16 179.52 1bvh h GLN 143 N 0.39 -1.03 0.00 1.82 1.08 -1.48 -2.31 115.11 113.58 1bvh h GLN 143 Ca -0.08 0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1bvh h GLN 143 Cb 1.52 0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 29.18 1bvh h GLN 143 CO 0.17 -0.68 -0.08 1.96 -0.95 0.00 0.00 178.83 179.24 1bvh h GLN 144 N -1.14 0.00 -0.99 1.46 4.20 -1.57 -2.06 115.11 115.01 1bvh h GLN 144 Ca -0.11 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.63 1bvh h GLN 144 Cb 0.82 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.54 1bvh h GLN 144 CO 0.18 0.08 0.65 0.00 -0.67 0.00 0.00 178.83 179.07 1bvh n VAL 146 N -4.44 0.00 0.27 0.00 0.31 -0.77 -1.09 118.33 112.60 1bvh n VAL 146 Ca 0.13 1.40 0.06 0.00 -0.01 0.00 0.00 64.34 65.92 1bvh n VAL 146 Cb 0.08 -2.19 0.26 0.00 -0.91 0.00 0.00 33.84 31.09 1bvh n VAL 146 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1bvh n ARG 147 N -2.07 0.05 0.10 5.55 3.00 -1.19 -2.26 116.66 119.83 1bvh n ARG 147 Ca 0.00 0.41 0.20 0.00 -0.00 0.00 0.00 57.85 58.46 1bvh n ARG 147 Cb 0.00 -1.61 0.76 0.00 0.00 0.00 0.00 32.46 31.60 1bvh n ARG 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bvh h ARG 150 N 0.00 -0.20 -0.06 0.00 2.43 -1.23 0.74 114.38 116.07 1bvh h ARG 150 Ca -0.02 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1bvh h ARG 150 Cb 1.06 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1bvh h ARG 150 CO 0.00 0.15 0.22 0.00 -1.51 0.00 0.00 179.97 178.83 1bvh h ALA 151 N 0.18 1.37 0.00 2.80 0.00 -1.31 0.16 119.26 122.46 1bvh h ALA 151 Ca -0.02 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1bvh h ALA 151 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1bvh h ALA 151 CO 0.03 -0.25 -1.57 0.34 0.00 0.00 0.00 179.25 177.81 1bvh n PHE 152 N -3.16 0.95 0.15 0.00 -0.00 -0.89 -3.92 117.46 110.59 1bvh n PHE 152 Ca -0.01 0.33 0.03 0.00 -0.00 0.00 0.00 57.45 57.80 1bvh n PHE 152 Cb 0.29 -1.12 0.11 0.00 -0.00 0.00 0.00 39.48 38.76 1bvh n PHE 152 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1bvh h LEU 153 N 0.00 0.00 0.08 -2.13 5.85 0.17 -2.74 115.31 116.54 1bvh h LEU 153 Ca -0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1bvh h LEU 153 Cb 1.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1bvh h LEU 153 CO 0.06 0.47 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.26 1bvh h GLU 154 N 0.00 -0.10 0.45 1.25 5.08 -1.39 0.47 114.58 120.33 1bvh h GLU 154 Ca -0.00 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1bvh h GLU 154 Cb 1.26 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1bvh h GLU 154 CO 0.06 0.21 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.85 1bvh h LYS 155 N -0.42 -0.58 -1.54 2.33 3.11 -1.68 -2.98 116.57 114.82 1bvh h LYS 155 Ca -0.01 0.04 -0.57 0.00 -2.81 0.00 0.00 60.65 57.30 1bvh h LYS 155 Cb 0.36 0.13 -0.22 0.00 -1.00 0.00 0.00 32.23 31.50 1bvh h LYS 155 CO 0.02 -0.30 0.70 1.33 -2.81 0.00 0.00 179.45 178.38 1bvh n VAL 156 N -5.28 3.34 1.05 2.00 0.24 -1.03 -5.15 118.33 113.50 1bvh n VAL 156 Ca -0.11 -2.88 0.08 0.00 -2.04 0.00 0.00 64.34 59.39 1bvh n VAL 156 Cb 0.29 -1.31 0.50 0.00 -1.47 0.00 0.00 33.84 31.85 1bvh n VAL 156 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55