#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvb s ASP 2 N 0.00 3.90 0.43 0.00 1.11 -1.26 -4.94 116.67 115.91 1bvb s ASP 2 Ca 0.00 -2.84 -0.07 0.00 0.18 0.00 0.00 52.55 49.82 1bvb s ASP 2 Cb 0.00 -1.26 -0.05 0.00 1.07 0.00 0.00 42.92 42.68 1bvb s ASP 2 CO 0.00 -0.24 0.75 0.00 1.18 0.00 0.00 175.17 176.86 1bvb s ALA 3 N 0.02 3.41 0.46 5.23 0.00 -1.26 -5.02 121.76 124.59 1bvb s ALA 3 Ca 0.18 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1bvb s ALA 3 Cb -0.23 -2.60 -0.09 0.00 0.00 0.00 0.00 23.12 20.20 1bvb s ALA 3 CO -0.01 -0.16 1.01 -1.25 0.00 0.00 0.00 175.76 175.35 1bvb s PRO 4 N -4.28 3.95 0.50 0.00 0.04 -1.26 -4.73 135.00 129.23 1bvb s PRO 4 Ca 0.48 1.30 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 1bvb s PRO 4 Cb -0.10 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1bvb s PRO 4 CO 0.38 -0.29 1.01 -0.06 0.04 0.00 0.00 177.00 178.07 1bvb s PHE 5 N -2.02 3.19 0.00 0.56 0.40 0.10 -3.07 117.98 117.14 1bvb s PHE 5 Ca 0.65 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 58.52 1bvb s PHE 5 Cb -0.15 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.46 1bvb s PHE 5 CO 0.18 -0.59 0.00 0.39 0.70 0.00 0.00 175.22 175.90 1bvb n GLU 6 N -1.27 2.74 0.00 0.44 1.02 -1.26 -4.45 120.64 117.86 1bvb n GLU 6 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1bvb n GLU 6 Cb 0.53 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 1bvb n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bvb n GLY 7 N 2.23 1.83 0.00 0.62 0.00 -1.26 -4.80 105.19 103.80 1bvb n GLY 7 Ca 0.00 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 44.00 1bvb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvb n ARG 8 N 0.15 0.40 0.01 1.61 1.74 -0.64 -4.55 116.66 115.38 1bvb n ARG 8 Ca 0.00 0.06 -0.04 0.00 -0.77 0.00 0.00 57.85 57.11 1bvb n ARG 8 Cb 0.00 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.92 1bvb n ARG 8 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1bvb h LYS 9 N 0.00 -0.15 -0.37 5.56 3.64 -1.87 -1.61 116.57 121.77 1bvb h LYS 9 Ca 0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1bvb h LYS 9 Cb 0.09 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1bvb h LYS 9 CO 0.00 -0.10 -0.15 0.87 -2.27 0.00 0.00 179.45 177.80 1bvb h LYS 10 N -0.16 0.68 -0.39 1.90 1.57 -1.98 -1.39 116.57 116.80 1bvb h LYS 10 Ca 0.00 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1bvb h LYS 10 Cb 0.17 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1bvb h LYS 10 CO -0.08 0.80 0.08 0.00 -0.57 0.00 0.00 179.45 179.68 1bvb h SER 12 N 0.21 0.00 0.22 0.00 0.02 -1.00 0.21 113.55 113.21 1bvb h SER 12 Ca 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1bvb h SER 12 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1bvb h SER 12 CO -0.24 0.24 -0.11 -1.28 -1.14 0.00 0.00 176.83 174.30 1bvb h SER 13 N 0.00 -0.25 1.57 3.07 0.87 -0.09 -2.69 113.55 116.02 1bvb h SER 13 Ca -0.00 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1bvb h SER 13 Cb 0.69 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1bvb h SER 13 CO 0.03 0.13 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 1bvb n HIS 15 N -2.60 2.75 -0.14 0.00 8.25 0.71 -4.90 115.22 119.29 1bvb n HIS 15 Ca 0.04 -3.60 -0.04 0.00 -0.26 0.00 0.00 57.72 53.87 1bvb n HIS 15 Cb 0.44 -0.36 0.05 0.00 1.12 0.00 0.00 29.99 31.24 1bvb n HIS 15 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1bvb h LYS 16 N 2.89 0.22 -0.33 -0.41 1.57 -1.62 -2.00 116.57 116.89 1bvb h LYS 16 Ca 0.14 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1bvb h LYS 16 Cb 0.78 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1bvb h LYS 16 CO 0.72 0.15 -0.14 0.00 -0.57 0.00 0.00 179.45 179.61 1bvb h ALA 17 N 1.34 0.14 -0.50 3.86 0.00 -1.89 0.13 119.26 122.34 1bvb h ALA 17 Ca 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1bvb h ALA 17 Cb 0.28 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1bvb h ALA 17 CO -0.29 -0.52 0.19 1.96 0.00 0.00 0.00 179.25 180.60 1bvb h GLN 18 N -0.08 0.76 0.00 0.00 7.50 -1.79 -2.56 115.11 118.95 1bvb h GLN 18 Ca 0.17 -0.14 -0.03 0.00 0.50 0.00 0.00 58.65 59.15 1bvb h GLN 18 Cb 0.33 -0.12 -0.00 0.00 0.05 0.00 0.00 27.48 27.74 1bvb h GLN 18 CO -0.39 0.68 -0.14 0.00 -1.50 0.00 0.00 178.83 177.48 1bvb h ALA 19 N 1.04 1.21 -0.04 3.87 0.00 -0.79 0.17 119.26 124.73 1bvb h ALA 19 Ca 0.17 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1bvb h ALA 19 Cb 0.21 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bvb h ALA 19 CO -0.01 0.18 -0.96 0.37 0.00 0.00 0.00 179.25 178.83 1bvb h GLN 20 N 0.00 0.71 0.01 0.00 5.75 -0.48 -2.25 115.11 118.86 1bvb h GLN 20 Ca -0.00 -0.72 -0.26 0.00 -0.15 0.00 0.00 58.65 57.52 1bvb h GLN 20 Cb 0.43 0.19 0.02 0.00 1.07 0.00 0.00 27.48 29.19 1bvb h GLN 20 CO 0.02 1.30 -1.04 1.03 -2.65 0.00 0.00 178.83 177.49 1bvb h SER 21 N 0.40 0.82 -0.16 -0.69 0.87 -1.07 -3.32 113.55 110.40 1bvb h SER 21 Ca -0.11 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 1bvb h SER 21 Cb 1.61 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1bvb h SER 21 CO 0.19 1.47 0.10 -0.25 -0.53 0.00 0.00 176.83 177.81 1bvb h TRP 22 N 0.34 0.19 0.00 2.24 7.01 -0.71 -2.76 115.95 122.26 1bvb h TRP 22 Ca -0.12 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.88 1bvb h TRP 22 Cb 1.69 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.69 1bvb h TRP 22 CO 0.09 0.12 0.19 1.17 -2.79 0.00 0.00 178.44 177.22 1bvb n LYS 23 N -4.98 0.01 0.02 2.65 4.81 -0.85 -0.31 118.16 119.51 1bvb n LYS 23 Ca -0.04 0.35 0.07 0.00 -0.87 0.00 0.00 58.31 57.82 1bvb n LYS 23 Cb 0.03 -1.72 -0.10 0.00 0.02 0.00 0.00 35.03 33.26 1bvb n LYS 23 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1bvb n ASP 24 N -1.40 0.43 -4.74 3.14 8.00 -1.04 -4.75 116.55 116.19 1bvb n ASP 24 Ca -0.00 0.18 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 1bvb n ASP 24 Cb 0.19 1.06 0.11 0.00 -0.02 0.00 0.00 41.12 42.45 1bvb n ASP 24 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bvb s THR 25 N -3.25 2.88 0.24 -3.53 -4.23 0.58 -4.90 115.64 103.44 1bvb s THR 25 Ca -0.05 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.71 1bvb s THR 25 Cb 0.11 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.49 1bvb s THR 25 CO 0.85 -0.35 1.91 0.00 -0.54 0.00 0.00 174.62 176.49 1bvb h ALA 26 N -1.08 1.22 -0.72 3.99 0.00 -1.87 -1.66 119.26 119.15 1bvb h ALA 26 Ca -0.44 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.52 1bvb h ALA 26 Cb 1.25 -0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1bvb h ALA 26 CO 0.49 0.64 0.28 0.45 0.00 0.00 0.00 179.25 181.10 1bvb h HIS 27 N 1.31 0.47 -0.85 0.00 3.86 -1.88 -0.24 115.15 117.83 1bvb h HIS 27 Ca 0.35 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.59 1bvb h HIS 27 Cb -0.12 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 1bvb h HIS 27 CO -0.00 0.06 0.49 0.00 0.86 0.00 0.00 177.93 179.34 1bvb h ALA 28 N 1.52 1.26 -0.29 2.45 0.00 -1.48 -1.17 119.26 121.55 1bvb h ALA 28 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1bvb h ALA 28 Cb 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bvb h ALA 28 CO -0.39 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1bvb n LYS 29 N -4.35 1.67 -0.26 0.00 5.02 -0.24 -4.54 118.16 115.47 1bvb n LYS 29 Ca 0.09 -1.04 0.06 0.00 -2.02 0.00 0.00 58.31 55.40 1bvb n LYS 29 Cb 0.08 -1.23 0.17 0.00 -0.02 0.00 0.00 35.03 34.03 1bvb n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bvb h ALA 30 N 3.52 0.83 0.00 7.82 0.00 -0.51 0.22 119.26 131.15 1bvb h ALA 30 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1bvb h ALA 30 Cb 0.39 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1bvb h ALA 30 CO 0.00 -0.42 -0.12 0.52 0.00 0.00 0.00 179.25 179.23 1bvb h MET 31 N 0.12 0.00 -0.00 0.00 2.86 -1.82 -2.72 114.93 113.36 1bvb h MET 31 Ca 0.42 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.07 1bvb h MET 31 Cb 0.76 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1bvb h MET 31 CO -0.66 0.12 -0.06 0.93 1.06 0.00 0.00 176.91 178.31 1bvb h GLU 32 N 0.00 -0.10 -0.86 1.72 4.39 -1.30 -2.32 114.58 116.12 1bvb h GLU 32 Ca -0.00 0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.95 1bvb h GLU 32 Cb 0.42 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1bvb h GLU 32 CO 0.02 -0.06 0.82 0.77 -1.16 0.00 0.00 179.01 179.39 1bvb h SER 33 N -0.10 0.00 1.46 1.42 0.02 -1.51 0.28 113.55 115.12 1bvb h SER 33 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1bvb h SER 33 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1bvb h SER 33 CO -0.06 0.00 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.47 1bvb h LEU 34 N 0.00 0.00-10.20 5.07 4.07 -1.54 -3.45 115.31 109.26 1bvb h LEU 34 Ca 0.41 -0.03 -0.51 0.00 0.08 0.00 0.00 57.88 57.84 1bvb h LEU 34 Cb 2.05 0.00 0.10 0.00 1.08 0.00 0.00 40.66 43.88 1bvb h LEU 34 CO -0.00 0.01 0.38 -0.54 -1.08 0.00 0.00 178.44 177.20 1bvb s LYS 35 N -3.13 2.89 0.58 1.13 1.02 0.98 -1.35 119.74 121.86 1bvb s LYS 35 Ca 0.10 1.35 -0.20 0.00 0.02 0.00 0.00 55.97 57.24 1bvb s LYS 35 Cb 0.12 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1bvb s LYS 35 CO 0.62 -1.17 1.31 -1.25 -0.92 0.00 0.00 175.35 173.94 1bvb s PRO 36 N -4.10 2.96 -1.37 -1.68 0.04 -1.23 -3.28 135.00 126.35 1bvb s PRO 36 Ca 0.66 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1bvb s PRO 36 Cb -0.20 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1bvb s PRO 36 CO 0.41 -1.29 0.00 0.09 0.04 0.00 0.00 177.00 176.25 1bvb n ASN 37 N -1.35 -4.68 -4.32 6.66 3.02 0.20 -4.97 115.26 109.82 1bvb n ASN 37 Ca 0.12 0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.52 1bvb n ASN 37 Cb 0.47 -3.95 -0.14 0.00 -0.61 0.00 0.00 39.78 35.54 1bvb n ASN 37 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bvb s VAL 38 N -2.76 1.99 -1.68 2.41 1.01 -1.20 -4.67 120.40 115.50 1bvb s VAL 38 Ca 0.00 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.41 1bvb s VAL 38 Cb 0.00 -1.72 0.14 0.00 0.00 0.00 0.00 36.38 34.80 1bvb s VAL 38 CO 0.00 0.24 0.69 0.29 0.00 0.00 0.00 175.10 176.32 1bvb n LYS 39 N 1.59 -2.84 -0.27 2.72 4.01 -1.26 -4.86 118.16 117.25 1bvb n LYS 39 Ca -0.17 0.34 -0.03 0.00 -0.51 0.00 0.00 58.31 57.93 1bvb n LYS 39 Cb 0.53 -4.92 0.08 0.00 -0.51 0.00 0.00 35.03 30.21 1bvb n LYS 39 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1bvb h LYS 40 N -1.50 0.91 -0.28 1.97 1.57 -1.88 -2.12 116.57 115.25 1bvb h LYS 40 Ca -0.60 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 57.99 1bvb h LYS 40 Cb 1.38 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1bvb h LYS 40 CO 0.77 0.60 -0.40 1.49 -0.57 0.00 0.00 179.45 181.35 1bvb h GLU 41 N 0.94 0.65 -0.13 3.15 4.81 -1.99 -1.42 114.58 120.60 1bvb h GLU 41 Ca 0.29 -0.33 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1bvb h GLU 41 Cb -0.02 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1bvb h GLU 41 CO -0.10 0.94 -0.50 0.00 -0.73 0.00 0.00 179.01 178.62 1bvb h ALA 42 N 1.02 0.90 -0.31 2.92 0.00 -1.94 -2.42 119.26 119.45 1bvb h ALA 42 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1bvb h ALA 42 Cb 0.92 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bvb h ALA 42 CO 0.08 0.66 0.10 0.87 0.00 0.00 0.00 179.25 180.97 1bvb h LYS 43 N 0.28 0.47 -0.80 0.00 1.57 -1.19 -2.55 116.57 114.35 1bvb h LYS 43 Ca 0.01 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1bvb h LYS 43 Cb 0.98 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1bvb h LYS 43 CO 0.08 0.52 0.43 0.37 -0.57 0.00 0.00 179.45 180.28 1bvb h GLN 44 N 0.34 1.12 -0.67 3.15 4.15 -1.12 0.15 115.11 122.23 1bvb h GLN 44 Ca 0.10 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1bvb h GLN 44 Cb 0.24 -0.22 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1bvb h GLN 44 CO -0.00 0.84 0.37 -0.22 -1.93 0.00 0.00 178.83 177.89 1bvb h LYS 45 N 1.12 0.92 -0.17 1.69 3.64 -1.33 -0.97 116.57 121.46 1bvb h LYS 45 Ca 0.28 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1bvb h LYS 45 Cb 0.05 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1bvb h LYS 45 CO -0.04 0.67 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1bvb n ALA 46 N -2.44 2.52 -3.22 5.00 0.00 -0.88 -4.93 120.51 116.56 1bvb n ALA 46 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.94 1bvb n ALA 46 Cb 0.09 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.51 1bvb n ALA 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bvb n LYS 47 N 0.12 -2.10 -4.21 0.00 5.02 -0.37 -5.04 118.16 111.59 1bvb n LYS 47 Ca 0.14 0.97 -0.17 0.00 -2.02 0.00 0.00 58.31 57.22 1bvb n LYS 47 Cb 0.25 -5.81 -0.11 0.00 -0.02 0.00 0.00 35.03 29.34 1bvb n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bvb s LEU 48 N -5.18 2.37 -0.41 -0.35 1.43 0.42 -5.00 118.68 111.96 1bvb s LEU 48 Ca 0.39 -0.76 -0.26 0.00 -1.03 0.00 0.00 54.13 52.46 1bvb s LEU 48 Cb -0.05 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.72 1bvb s LEU 48 CO 0.74 -0.16 0.95 -0.62 0.23 0.00 0.00 176.35 177.49 1bvb s ASP 49 N -2.28 6.62 0.00 2.29 -1.08 -1.26 -3.84 116.67 117.12 1bvb s ASP 49 Ca 0.05 0.42 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 1bvb s ASP 49 Cb -0.06 -2.47 0.11 0.00 -1.46 0.00 0.00 42.92 39.04 1bvb s ASP 49 CO 0.02 -0.97 1.06 -0.81 0.52 0.00 0.00 175.17 174.98 1bvb n PRO 50 N 7.04 0.00 0.00 4.34 -0.04 -1.26 -1.83 135.00 143.26 1bvb n PRO 50 Ca 0.07 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.99 1bvb n PRO 50 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 1bvb n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bvb n ALA 51 N -1.47 2.49 -1.79 0.55 0.00 -1.26 0.62 120.51 119.65 1bvb n ALA 51 Ca 0.01 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 1bvb n ALA 51 Cb 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 1bvb n ALA 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bvb s LYS 52 N -0.56 4.44 -0.58 0.00 2.20 -0.76 -4.52 119.74 119.96 1bvb s LYS 52 Ca 0.04 1.33 -0.19 0.00 -0.36 0.00 0.00 55.97 56.79 1bvb s LYS 52 Cb 0.03 -2.64 0.10 0.00 -1.51 0.00 0.00 37.83 33.82 1bvb s LYS 52 CO 0.07 0.14 0.68 0.34 -0.36 0.00 0.00 175.35 176.22 1bvb s ASP 53 N -1.70 6.19 0.00 1.43 -1.08 -1.26 -3.50 116.67 116.74 1bvb s ASP 53 Ca 0.54 -1.41 0.27 0.00 -0.52 0.00 0.00 52.55 51.42 1bvb s ASP 53 Cb -0.18 -2.29 0.79 0.00 -1.46 0.00 0.00 42.92 39.78 1bvb s ASP 53 CO 0.23 -1.07 1.59 -1.22 0.52 0.00 0.00 175.17 175.22 1bvb n TYR 54 N 6.22 0.00 0.00 -5.34 4.01 -0.46 -4.51 117.16 117.07 1bvb n TYR 54 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1bvb n TYR 54 Cb 0.42 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1bvb n TYR 54 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bvb n THR 55 N -0.86 0.49 -1.75 -0.72 -2.24 -1.18 -0.89 114.28 107.13 1bvb n THR 55 Ca 0.11 0.17 0.01 0.00 -2.27 0.00 0.00 64.05 62.06 1bvb n THR 55 Cb 0.34 -1.17 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 1bvb n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bvb n GLN 56 N -1.03 0.11 -2.91 -0.78 6.02 -1.26 -4.94 117.38 112.58 1bvb n GLN 56 Ca 0.00 -1.00 -0.42 0.00 -0.01 0.00 0.00 57.00 55.57 1bvb n GLN 56 Cb 0.04 -0.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.70 1bvb n GLN 56 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bvb s ASP 57 N -0.93 6.76 0.08 1.08 -1.08 -0.07 -4.93 116.67 117.59 1bvb s ASP 57 Ca 0.02 0.89 0.13 0.00 -0.52 0.00 0.00 52.55 53.06 1bvb s ASP 57 Cb 0.02 -2.43 0.56 0.00 -1.46 0.00 0.00 42.92 39.61 1bvb s ASP 57 CO 0.00 -0.56 1.39 2.29 0.52 0.00 0.00 175.17 178.81 1bvb n LYS 58 N 6.11 0.05 -0.17 4.34 2.85 -1.26 -0.96 118.16 129.12 1bvb n LYS 58 Ca 0.05 0.40 0.07 0.00 -1.05 0.00 0.00 58.31 57.78 1bvb n LYS 58 Cb 0.48 -1.62 0.20 0.00 -0.65 0.00 0.00 35.03 33.43 1bvb n LYS 58 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1bvb n ASP 59 N -1.72 1.92 0.00 -5.58 8.00 -1.26 -4.52 116.55 113.38 1bvb n ASP 59 Ca 0.02 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1bvb n ASP 59 Cb 0.11 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1bvb n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bvb h VAL 61 N 0.00 0.78 -0.82 0.00 3.04 -1.66 -2.61 116.25 114.99 1bvb h VAL 61 Ca 0.00 -0.11 0.24 0.00 -1.01 0.00 0.00 66.70 65.81 1bvb h VAL 61 Cb 0.23 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 29.90 1bvb h VAL 61 CO 0.00 0.06 0.74 1.23 -1.01 0.00 0.00 177.57 178.59 1bvb h GLY 62 N 0.33 0.00 -1.28 3.17 0.00 -1.84 0.11 103.07 103.56 1bvb h GLY 62 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1bvb h GLY 62 CO -0.09 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.39 1bvb n HIS 64 N 0.78 0.53 -3.73 0.00 8.25 0.01 -4.85 115.22 116.22 1bvb n HIS 64 Ca 0.10 -1.09 -0.10 0.00 -0.26 0.00 0.00 57.72 56.36 1bvb n HIS 64 Cb 0.42 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1bvb n HIS 64 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bvb s VAL 65 N -2.95 0.09 0.05 1.59 1.01 -1.13 -1.54 120.40 117.52 1bvb s VAL 65 Ca 0.38 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1bvb s VAL 65 Cb 0.33 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1bvb s VAL 65 CO 0.04 -0.43 1.12 -1.81 0.00 0.00 0.00 175.10 174.02 1bvb s ASP 66 N -2.62 7.19 -1.66 3.32 1.01 -0.87 -4.27 116.67 118.77 1bvb s ASP 66 Ca 0.01 1.90 -0.10 0.00 0.71 0.00 0.00 52.55 55.07 1bvb s ASP 66 Cb 0.02 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.47 1bvb s ASP 66 CO -0.09 -0.39 0.36 0.61 0.21 0.00 0.00 175.17 175.87 1bvb n GLY 67 N 3.05 -0.27 3.77 0.21 0.00 -1.26 -1.83 105.19 108.86 1bvb n GLY 67 Ca 0.08 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1bvb n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bvb s PHE 68 N -3.81 2.68 0.00 1.61 5.36 -1.26 -1.82 117.98 120.73 1bvb s PHE 68 Ca 0.37 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.43 1bvb s PHE 68 Cb -0.21 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1bvb s PHE 68 CO 0.98 -3.02 0.00 0.41 -1.46 0.00 0.00 175.22 172.13 1bvb n GLY 69 N 0.94 0.46 3.50 13.12 0.00 -1.26 -4.98 105.19 116.96 1bvb n GLY 69 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1bvb n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bvb s GLN 70 N -0.47 1.78 -0.15 1.61 -1.52 -0.76 -5.05 119.66 115.12 1bvb s GLN 70 Ca 0.00 -1.45 -0.37 0.00 -1.95 0.00 0.00 55.36 51.59 1bvb s GLN 70 Cb 0.00 -1.97 -0.14 0.00 -0.22 0.00 0.00 33.01 30.68 1bvb s GLN 70 CO 0.00 0.40 1.79 1.17 -0.25 0.00 0.00 175.29 178.40 1bvb n LYS 71 N 0.03 1.73 -0.58 2.91 0.00 -1.26 -0.82 118.16 120.16 1bvb n LYS 71 Ca -0.11 0.63 0.00 0.00 0.00 0.00 0.00 58.31 58.83 1bvb n LYS 71 Cb 0.56 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 33.19 1bvb n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bvb n GLY 72 N 4.20 1.17 2.35 3.14 0.00 -1.26 -0.72 105.19 114.07 1bvb n GLY 72 Ca 0.24 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1bvb n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvb n GLY 73 N -2.00 -1.14 3.77 -0.02 0.00 -0.00 -4.43 105.19 101.37 1bvb n GLY 73 Ca 0.00 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1bvb n GLY 73 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bvb n TYR 74 N -3.03 2.97 -4.26 1.61 4.19 -0.76 -4.93 117.16 112.96 1bvb n TYR 74 Ca 0.10 0.35 -0.23 0.00 3.31 0.00 0.00 57.90 61.43 1bvb n TYR 74 Cb 0.35 -2.57 -0.12 0.00 0.49 0.00 0.00 39.34 37.49 1bvb n TYR 74 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 1bvb s THR 75 N -0.60 1.56 -0.02 2.97 -4.23 -1.26 -4.23 115.64 109.84 1bvb s THR 75 Ca 0.58 -1.48 -0.22 0.00 -1.18 0.00 0.00 61.69 59.38 1bvb s THR 75 Cb -0.48 -1.43 -0.21 0.00 1.34 0.00 0.00 72.50 71.71 1bvb s THR 75 CO 0.57 -0.10 1.12 0.40 -0.54 0.00 0.00 174.62 176.06 1bvb h ILE 76 N 4.13 1.47 -0.95 2.99 2.04 -1.96 -3.11 117.51 122.12 1bvb h ILE 76 Ca -0.45 -1.83 0.27 0.00 1.00 0.00 0.00 64.86 63.85 1bvb h ILE 76 Cb 1.18 2.52 -0.17 0.00 -0.74 0.00 0.00 36.82 39.61 1bvb h ILE 76 CO 0.40 0.52 0.12 -0.08 0.00 0.00 0.00 178.15 179.10 1bvb h GLU 77 N -0.29 0.05 -2.26 2.37 4.57 -1.97 -3.28 114.58 113.77 1bvb h GLU 77 Ca -0.03 -0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.62 1bvb h GLU 77 Cb 1.01 -0.01 -0.36 0.00 -0.16 0.00 0.00 28.75 29.23 1bvb h GLU 77 CO 0.06 0.03 -0.88 0.45 -1.18 0.00 0.00 179.01 177.50 1bvb s SER 78 N -4.99 1.55 0.34 1.04 0.15 -1.23 -5.13 113.70 105.43 1bvb s SER 78 Ca -0.12 -2.57 -0.29 0.00 0.70 0.00 0.00 55.95 53.67 1bvb s SER 78 Cb 0.28 -0.13 -0.12 0.00 -1.71 0.00 0.00 66.02 64.35 1bvb s SER 78 CO 0.78 -0.21 1.46 -0.81 1.20 0.00 0.00 173.24 175.66 1bvb n PRO 79 N 3.32 2.51 -4.02 5.44 -0.04 -1.17 -4.45 135.00 136.58 1bvb n PRO 79 Ca 0.22 0.88 -0.31 0.00 -0.04 0.00 0.00 63.50 64.26 1bvb n PRO 79 Cb 0.45 -2.58 -0.16 0.00 -0.04 0.00 0.00 33.50 31.17 1bvb n PRO 79 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1bvb s LYS 80 N -1.58 2.15 0.57 0.54 2.47 -1.26 -5.03 119.74 117.60 1bvb s LYS 80 Ca 0.57 -0.91 0.27 0.00 -1.56 0.00 0.00 55.97 54.34 1bvb s LYS 80 Cb -0.51 -2.50 1.54 0.00 -1.46 0.00 0.00 37.83 34.90 1bvb s LYS 80 CO 0.59 -0.43 2.03 -1.00 0.16 0.00 0.00 175.35 176.71 1bvb h PRO 81 N 7.94 0.00 0.00 4.03 0.13 -1.95 -1.32 132.00 140.83 1bvb h PRO 81 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1bvb h PRO 81 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1bvb h PRO 81 CO 0.49 0.00 0.00 0.52 -0.23 0.00 0.00 178.00 178.78 1bvb h MET 82 N 0.00 0.00 -0.28 0.86 2.86 -1.96 -2.69 114.93 113.73 1bvb h MET 82 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1bvb h MET 82 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1bvb h MET 82 CO -0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1bvb n LEU 83 N -2.33 3.29 -4.51 1.22 4.77 -0.50 -1.63 117.00 117.31 1bvb n LEU 83 Ca 0.03 -2.50 -0.34 0.00 -0.03 0.00 0.00 56.01 53.16 1bvb n LEU 83 Cb 0.27 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1bvb n LEU 83 CO 0.22 0.69 -0.36 0.42 -1.33 0.00 0.00 177.39 177.04 1bvb s THR 84 N -1.90 3.85 0.00 -5.08 -4.23 -1.02 -2.05 115.64 105.21 1bvb s THR 84 Ca 0.31 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1bvb s THR 84 Cb 0.22 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1bvb s THR 84 CO 0.11 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1bvb n GLY 85 N 3.33 1.77 3.58 3.99 0.00 -0.59 -4.85 105.19 112.43 1bvb n GLY 85 Ca -0.18 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1bvb n GLY 85 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bvb s VAL 86 N -2.36 4.76 0.00 1.61 -7.23 -0.50 -2.91 120.40 113.77 1bvb s VAL 86 Ca 0.00 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 1bvb s VAL 86 Cb 0.00 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.75 1bvb s VAL 86 CO 0.00 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1bvb n GLY 87 N 4.61 2.45 0.29 2.32 0.00 -1.26 -4.23 105.19 109.36 1bvb n GLY 87 Ca 0.02 -2.10 0.07 0.00 0.00 0.00 0.00 46.02 44.01 1bvb n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvb h GLU 89 N 0.10 0.00 0.00 0.00 5.08 -1.92 0.20 114.58 118.04 1bvb h GLU 89 Ca 0.46 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.78 1bvb h GLU 89 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1bvb h GLU 89 CO -0.71 0.00 -0.20 0.77 -1.00 0.00 0.00 179.01 177.87 1bvb h SER 90 N 0.00 0.00 0.00 1.42 0.02 -1.21 -0.08 113.55 113.70 1bvb h SER 90 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1bvb h SER 90 Cb 0.57 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1bvb h SER 90 CO 0.00 0.20 -2.10 0.00 -1.14 0.00 0.00 176.83 173.79 1bvb n HIS 92 N -3.25 0.43 0.00 0.00 -0.00 0.04 -4.71 115.22 107.73 1bvb n HIS 92 Ca -0.35 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.49 1bvb n HIS 92 Cb 0.84 -0.62 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1bvb n HIS 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bvb n GLY 93 N 1.40 1.81 3.69 -1.41 0.00 -0.05 -0.70 105.19 109.93 1bvb n GLY 93 Ca 0.05 -1.86 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 1bvb n GLY 93 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bvb n PRO 94 N 1.65 2.20 -0.25 1.61 -0.02 -1.26 -4.45 135.00 134.49 1bvb n PRO 94 Ca 0.00 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.36 1bvb n PRO 94 Cb 0.00 -2.49 0.19 0.00 -0.02 0.00 0.00 33.50 31.18 1bvb n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bvb n GLY 95 N 2.46 4.46 0.37 -1.23 0.00 -1.25 -4.67 105.19 105.32 1bvb n GLY 95 Ca 0.12 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 45.10 1bvb n GLY 95 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bvb h ARG 96 N 0.86 1.09 0.00 1.61 9.65 -1.88 -2.28 114.38 123.43 1bvb h ARG 96 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1bvb h ARG 96 Cb 1.20 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 1bvb h ARG 96 CO 0.10 0.72 -0.98 0.09 2.80 0.00 0.00 179.97 182.71 1bvb n ASN 97 N -4.53 0.64 -0.01 -3.80 3.02 -1.26 -4.45 115.26 104.88 1bvb n ASN 97 Ca 0.16 -0.02 0.08 0.00 -0.03 0.00 0.00 54.58 54.78 1bvb n ASN 97 Cb 0.23 0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 39.92 1bvb n ASN 97 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1bvb n PHE 98 N -2.15 0.00 0.21 3.10 1.16 -1.06 -4.28 117.46 114.45 1bvb n PHE 98 Ca 0.02 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.67 1bvb n PHE 98 Cb 0.47 -0.31 0.46 0.00 -1.61 0.00 0.00 39.48 38.49 1bvb n PHE 98 CO 0.00 0.00 0.00 0.07 -1.87 0.00 0.00 176.76 174.96 1bvb h ARG 99 N 0.00 0.00 -0.51 3.97 0.11 -1.63 -2.34 114.38 113.97 1bvb h ARG 99 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 1bvb h ARG 99 Cb 0.69 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.70 1bvb h ARG 99 CO 0.00 0.28 0.12 0.78 0.10 0.00 0.00 179.97 181.25 1bvb h GLY 100 N 1.59 0.64 2.00 0.08 0.00 -1.80 -0.13 103.07 105.45 1bvb h GLY 100 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1bvb h GLY 100 CO 0.04 -0.05 -0.33 -0.55 0.00 0.00 0.00 176.54 175.64 1bvb h ASP 101 N 0.27 0.00 -0.11 0.19 5.19 -1.66 -2.50 116.42 117.79 1bvb h ASP 101 Ca 0.25 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.63 1bvb h ASP 101 Cb 0.33 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1bvb h ASP 101 CO -0.31 0.33 -0.02 0.45 -3.12 0.00 0.00 179.24 176.57 1bvb h HIS 102 N 0.00 0.34 0.20 4.55 3.86 -0.81 -0.65 115.15 122.64 1bvb h HIS 102 Ca -0.00 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1bvb h HIS 102 Cb 0.69 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1bvb h HIS 102 CO 0.00 0.37 -0.10 -0.09 0.86 0.00 0.00 177.93 178.97 1bvb h ARG 103 N 0.33 -0.27 -0.66 2.45 2.43 -1.01 -2.82 114.38 114.83 1bvb h ARG 103 Ca 0.07 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 1bvb h ARG 103 Cb 0.26 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.75 1bvb h ARG 103 CO 0.01 -0.18 -0.36 0.87 -1.51 0.00 0.00 179.97 178.80 1bvb h LYS 104 N -0.75 -0.14 -0.73 0.20 1.57 -1.44 -0.18 116.57 115.09 1bvb h LYS 104 Ca -0.03 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bvb h LYS 104 Cb 0.21 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1bvb h LYS 104 CO 0.05 -0.09 0.45 0.77 -0.57 0.00 0.00 179.45 180.06 1bvb h SER 105 N -0.14 0.86 -0.26 0.86 0.02 -1.26 -0.19 113.55 113.43 1bvb h SER 105 Ca 0.24 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1bvb h SER 105 Cb 0.56 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1bvb h SER 105 CO -0.73 0.65 0.15 1.23 -1.14 0.00 0.00 176.83 176.99 1bvb h GLY 106 N 1.02 0.36 1.02 -3.77 0.00 -0.79 0.14 103.07 101.05 1bvb h GLY 106 Ca 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1bvb h GLY 106 CO -0.05 0.10 0.02 1.46 0.00 0.00 0.00 176.54 178.07 1bvb h GLN 107 N 0.31 0.91 -0.09 4.80 4.20 -0.84 -0.43 115.11 123.97 1bvb h GLN 107 Ca 0.10 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 1bvb h GLN 107 Cb 0.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1bvb h GLN 107 CO -0.05 0.92 0.05 0.00 -0.67 0.00 0.00 178.83 179.07 1bvb h ALA 108 N 0.96 0.11 -0.60 3.87 0.00 -0.75 0.85 119.26 123.70 1bvb h ALA 108 Ca 0.15 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1bvb h ALA 108 Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1bvb h ALA 108 CO 0.02 -0.35 0.27 0.35 0.00 0.00 0.00 179.25 179.54 1bvb h PHE 109 N 0.04 0.85 -0.11 0.00 3.57 -0.63 -0.95 116.94 119.71 1bvb h PHE 109 Ca 0.03 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1bvb h PHE 109 Cb 0.08 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.57 1bvb h PHE 109 CO -0.04 0.64 -0.58 0.93 -2.23 0.00 0.00 178.31 177.02 1bvb h GLU 110 N 0.85 0.58 0.22 1.11 4.39 -0.73 -1.47 114.58 119.54 1bvb h GLU 110 Ca 0.21 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1bvb h GLU 110 Cb 0.12 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1bvb h GLU 110 CO -0.02 1.11 -0.11 -0.22 -1.16 0.00 0.00 179.01 178.61 1bvb h LYS 111 N 0.21 -0.29 -0.26 2.33 3.64 -0.65 -3.39 116.57 118.16 1bvb h LYS 111 Ca -0.04 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1bvb h LYS 111 Cb 1.23 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1bvb h LYS 111 CO 0.12 -0.19 -0.01 -1.13 -2.27 0.00 0.00 179.45 175.97 1bvb n SER 112 N -2.96 3.47 0.00 4.20 3.41 -0.38 -4.99 113.62 116.37 1bvb n SER 112 Ca -0.04 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.40 1bvb n SER 112 Cb 0.12 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1bvb n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bvb n GLY 113 N -0.72 0.47 3.74 5.00 0.00 -0.55 -4.97 105.19 108.16 1bvb n GLY 113 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1bvb n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvb s LYS 114 N -0.58 2.61 0.14 1.61 3.01 -1.25 -4.89 119.74 120.39 1bvb s LYS 114 Ca 0.00 1.78 0.06 0.00 -1.01 0.00 0.00 55.97 56.80 1bvb s LYS 114 Cb 0.00 -1.89 -0.04 0.00 -1.01 0.00 0.00 37.83 34.89 1bvb s LYS 114 CO 0.00 -1.48 -0.14 0.15 0.51 0.00 0.00 175.35 174.39 1bvb s LYS 115 N -3.63 1.10 -0.00 1.68 1.02 -1.26 -3.49 119.74 115.16 1bvb s LYS 115 Ca 0.76 -1.34 0.08 0.00 0.02 0.00 0.00 55.97 55.49 1bvb s LYS 115 Cb -0.30 -0.94 -0.02 0.00 -0.52 0.00 0.00 37.83 36.06 1bvb s LYS 115 CO 0.39 0.17 -0.25 0.99 -0.92 0.00 0.00 175.35 175.73 1bvb s THR 116 N -2.43 2.17 0.30 2.17 2.01 0.61 -5.01 115.64 115.46 1bvb s THR 116 Ca 0.13 -1.17 -0.28 0.00 0.31 0.00 0.00 61.69 60.68 1bvb s THR 116 Cb -0.03 -1.79 -0.09 0.00 0.01 0.00 0.00 72.50 70.59 1bvb s THR 116 CO 0.04 0.51 1.04 -2.84 -0.69 0.00 0.00 174.62 172.68 1bvb s PRO 117 N -0.84 4.57 0.55 4.92 0.02 -1.26 -1.47 135.00 141.50 1bvb s PRO 117 Ca 0.11 1.64 0.26 0.00 0.02 0.00 0.00 61.00 63.02 1bvb s PRO 117 Cb -0.10 -3.03 1.59 0.00 0.02 0.00 0.00 34.50 32.98 1bvb s PRO 117 CO 0.00 0.20 2.18 0.00 -0.33 0.00 0.00 177.00 179.06 1bvb h ARG 118 N 3.53 0.00 -0.96 5.54 3.08 -1.33 -2.51 114.38 121.74 1bvb h ARG 118 Ca -0.47 0.00 0.22 0.00 0.07 0.00 0.00 59.98 59.80 1bvb h ARG 118 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.14 1bvb h ARG 118 CO 0.66 0.04 0.53 -0.22 -1.07 0.00 0.00 179.97 179.91 1bvb h LYS 119 N 0.00 0.56 -0.58 0.04 3.64 -1.79 0.27 116.57 118.70 1bvb h LYS 119 Ca -0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1bvb h LYS 119 Cb 0.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1bvb h LYS 119 CO 0.00 0.37 0.05 -0.44 -2.27 0.00 0.00 179.45 177.16 1bvb h ASP 120 N 0.57 0.94 -0.16 4.20 3.32 -1.80 0.02 116.42 123.51 1bvb h ASP 120 Ca 0.59 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 1bvb h ASP 120 Cb 1.06 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1bvb h ASP 120 CO -0.46 0.97 -0.24 -0.07 -1.72 0.00 0.00 179.24 177.72 1bvb h LEU 121 N 0.91 0.49 -1.30 1.55 3.38 -0.91 -2.59 115.31 116.84 1bvb h LEU 121 Ca 0.18 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1bvb h LEU 121 Cb 0.46 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1bvb h LEU 121 CO 0.02 0.91 0.28 0.00 0.09 0.00 0.00 178.44 179.74 1bvb h ALA 122 N 0.59 1.47 -0.48 1.53 0.00 -0.46 -0.48 119.26 121.43 1bvb h ALA 122 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1bvb h ALA 122 Cb 0.81 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1bvb h ALA 122 CO 0.06 0.43 0.05 0.87 0.00 0.00 0.00 179.25 180.65 1bvb h LYS 123 N 0.76 0.76 -0.57 0.00 6.56 -0.89 -1.94 116.57 121.25 1bvb h LYS 123 Ca 0.19 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1bvb h LYS 123 Cb 0.05 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 1bvb h LYS 123 CO -0.03 0.74 0.00 1.63 -2.06 0.00 0.00 179.45 179.73 1bvb n LYS 124 N -4.25 1.98 -0.13 3.15 5.02 -0.67 -4.89 118.16 118.37 1bvb n LYS 124 Ca 0.03 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1bvb n LYS 124 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1bvb n LYS 124 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bvb n GLY 125 N 0.54 0.56 3.77 0.72 0.00 -0.73 -3.93 105.19 106.13 1bvb n GLY 125 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1bvb n GLY 125 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bvb s GLN 126 N -0.84 3.98 -0.25 1.61 0.74 -0.28 -4.53 119.66 120.08 1bvb s GLN 126 Ca 0.00 1.88 -0.11 0.00 0.05 0.00 0.00 55.36 57.19 1bvb s GLN 126 Cb 0.00 -2.64 -0.05 0.00 1.10 0.00 0.00 33.01 31.43 1bvb s GLN 126 CO 0.00 -0.40 0.17 0.34 -0.55 0.00 0.00 175.29 174.85 1bvb s ASP 127 N -1.11 6.06 -0.20 6.67 -1.08 0.12 -4.29 116.67 122.84 1bvb s ASP 127 Ca 0.58 0.07 0.13 0.00 -0.52 0.00 0.00 52.55 52.81 1bvb s ASP 127 Cb -0.32 -2.10 0.40 0.00 -1.46 0.00 0.00 42.92 39.45 1bvb s ASP 127 CO 0.40 0.03 1.25 0.49 0.52 0.00 0.00 175.17 177.86 1bvb n PHE 128 N 4.51 0.24 0.00 -5.34 3.72 -1.26 -4.72 117.46 114.61 1bvb n PHE 128 Ca -0.15 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 55.92 1bvb n PHE 128 Cb 0.52 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1bvb n PHE 128 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1bvb n HIS 129 N -1.17 0.00 -1.09 1.38 -0.00 -1.26 -3.65 115.22 109.42 1bvb n HIS 129 Ca 0.21 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.39 1bvb n HIS 129 Cb 0.75 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.62 1bvb n HIS 129 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1bvb n PHE 130 N -2.44 0.00 -0.35 1.57 3.01 -1.26 -4.90 117.46 113.09 1bvb n PHE 130 Ca 0.00 0.00 0.25 0.00 1.01 0.00 0.00 57.45 58.71 1bvb n PHE 130 Cb 0.46 0.01 0.50 0.00 -0.01 0.00 0.00 39.48 40.44 1bvb n PHE 130 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1bvb h GLU 131 N 0.00 0.32 -0.52 -1.08 4.81 -1.96 0.47 114.58 116.62 1bvb h GLU 131 Ca 0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1bvb h GLU 131 Cb 0.78 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1bvb h GLU 131 CO 0.00 0.21 0.00 1.49 -0.73 0.00 0.00 179.01 179.99 1bvb h GLU 132 N 0.33 0.91 0.40 1.92 4.57 -1.99 -1.32 114.58 119.41 1bvb h GLU 132 Ca 0.71 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.58 1bvb h GLU 132 Cb 1.73 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1bvb h GLU 132 CO -0.50 0.94 -0.23 0.00 -1.18 0.00 0.00 179.01 178.04 1bvb h ARG 133 N 0.78 -0.57 -0.69 1.92 3.08 -1.26 -2.39 114.38 115.25 1bvb h ARG 133 Ca 0.15 0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.32 1bvb h ARG 133 Cb 0.52 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 1bvb h ARG 133 CO 0.03 -0.38 0.34 0.00 -1.07 0.00 0.00 179.97 178.89 1bvb h SER 135 N 0.60 0.78 -0.54 0.00 0.02 -0.93 0.53 113.55 114.00 1bvb h SER 135 Ca 0.34 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.38 1bvb h SER 135 Cb 0.33 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1bvb h SER 135 CO -0.26 0.46 0.36 0.00 -1.14 0.00 0.00 176.83 176.26 1bvb h ALA 136 N 1.56 1.93 0.04 3.77 0.00 -1.05 0.21 119.26 125.71 1bvb h ALA 136 Ca 0.40 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.97 1bvb h ALA 136 Cb 0.40 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1bvb h ALA 136 CO -0.17 -0.03 -1.81 0.00 0.00 0.00 0.00 179.25 177.24 1bvb h HIS 138 N -0.58 0.00 -0.21 0.00 3.86 -0.83 -3.36 115.15 114.03 1bvb h HIS 138 Ca -0.45 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.65 1bvb h HIS 138 Cb 1.63 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 30.04 1bvb h HIS 138 CO 0.05 0.91 -0.25 1.28 0.86 0.00 0.00 177.93 180.79 1bvb n LEU 139 N -3.19 3.56 -3.74 2.43 4.77 0.72 -4.84 117.00 116.72 1bvb n LEU 139 Ca -0.06 -3.83 -0.42 0.00 -0.03 0.00 0.00 56.01 51.67 1bvb n LEU 139 Cb 0.95 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1bvb n LEU 139 CO 0.45 1.32 2.22 -3.20 -1.33 0.00 0.00 177.39 176.85 1bvb n ASN 140 N -1.12 5.76 -3.81 -1.43 5.15 -1.20 -4.50 115.26 114.11 1bvb n ASN 140 Ca 0.27 -3.06 -0.12 0.00 -0.60 0.00 0.00 54.58 51.07 1bvb n ASN 140 Cb 0.90 -1.48 -0.10 0.00 -0.53 0.00 0.00 39.78 38.57 1bvb n ASN 140 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1bvb s TYR 141 N 0.48 -0.13 0.28 1.20 -0.85 -1.26 -1.35 117.35 115.73 1bvb s TYR 141 Ca 0.45 0.22 -0.30 0.00 -0.52 0.00 0.00 57.07 56.92 1bvb s TYR 141 Cb 0.12 0.05 -0.12 0.00 0.38 0.00 0.00 41.96 42.39 1bvb s TYR 141 CO -0.03 -0.30 1.60 -1.91 -1.52 0.00 0.00 175.55 173.39 1bvb n GLU 142 N 1.72 2.67 -0.14 -3.49 4.07 -1.26 -2.35 120.64 121.85 1bvb n GLU 142 Ca -0.20 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 57.85 1bvb n GLU 142 Cb 0.56 -2.73 0.00 0.00 -0.06 0.00 0.00 31.44 29.21 1bvb n GLU 142 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bvb n GLY 143 N 2.36 0.92 3.90 8.31 0.00 -1.26 -5.06 105.19 114.35 1bvb n GLY 143 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1bvb n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvb s SER 144 N -2.83 4.99 0.00 1.61 1.04 -0.99 -4.95 113.70 112.57 1bvb s SER 144 Ca 0.00 0.85 0.20 0.00 0.48 0.00 0.00 55.95 57.47 1bvb s SER 144 Cb 0.00 -1.52 1.02 0.00 0.10 0.00 0.00 66.02 65.62 1bvb s SER 144 CO 0.00 -1.57 1.61 -0.81 0.98 0.00 0.00 173.24 173.45 1bvb n PRO 145 N -3.07 0.33 -3.30 4.02 -0.04 -1.26 -4.73 135.00 126.93 1bvb n PRO 145 Ca 0.07 0.09 -0.39 0.00 -0.04 0.00 0.00 63.50 63.23 1bvb n PRO 145 Cb 0.59 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 1bvb n PRO 145 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1bvb s TRP 146 N -2.50 3.36 0.60 0.54 -0.00 -1.26 -5.07 118.94 114.61 1bvb s TRP 146 Ca 0.20 0.69 -0.14 0.00 -0.00 0.00 0.00 56.10 56.84 1bvb s TRP 146 Cb 0.13 -2.62 -0.04 0.00 -0.00 0.00 0.00 33.47 30.95 1bvb s TRP 146 CO 0.29 -0.09 1.04 0.21 -0.00 0.00 0.00 176.95 178.40 1bvb s LYS 147 N 1.60 3.38 -0.28 5.86 2.20 -1.26 -4.26 119.74 126.97 1bvb s LYS 147 Ca 0.22 1.07 -0.01 0.00 -0.36 0.00 0.00 55.97 56.88 1bvb s LYS 147 Cb -0.15 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 1bvb s LYS 147 CO 0.09 -0.75 0.18 0.41 -0.36 0.00 0.00 175.35 174.91 1bvb n GLY 148 N -1.44 0.56 3.75 5.54 0.00 -1.26 -5.03 105.19 107.32 1bvb n GLY 148 Ca 0.08 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 1bvb n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvb s ALA 149 N -2.87 3.44 -0.04 4.61 0.00 -1.26 -5.05 121.76 120.59 1bvb s ALA 149 Ca 0.09 0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.90 1bvb s ALA 149 Cb -0.04 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.31 1bvb s ALA 149 CO 0.11 0.12 0.55 -1.59 0.00 0.00 0.00 175.76 174.95 1bvb s LYS 150 N -0.07 0.93 0.38 0.00 -2.85 -1.26 -4.93 119.74 111.92 1bvb s LYS 150 Ca 0.33 0.11 -0.26 0.00 -1.00 0.00 0.00 55.97 55.15 1bvb s LYS 150 Cb -0.19 0.43 -0.11 0.00 -2.06 0.00 0.00 37.83 35.90 1bvb s LYS 150 CO 0.19 -0.28 1.14 0.00 0.10 0.00 0.00 175.35 176.49 1bvb n ALA 151 N 1.04 0.63 -2.54 0.59 0.00 -1.26 -4.19 120.51 114.78 1bvb n ALA 151 Ca -0.20 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1bvb n ALA 151 Cb 0.57 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1bvb n ALA 151 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bvb s PRO 152 N -1.94 4.40 0.56 0.00 0.04 -1.26 -5.17 135.00 131.64 1bvb s PRO 152 Ca 0.60 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 1bvb s PRO 152 Cb -0.58 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.39 1bvb s PRO 152 CO 0.59 -0.35 1.03 0.71 0.04 0.00 0.00 177.00 179.02 1bvb s TYR 153 N 1.91 3.13 0.01 0.56 2.02 -1.26 -4.99 117.35 118.73 1bvb s TYR 153 Ca 0.54 1.50 -0.30 0.00 -0.37 0.00 0.00 57.07 58.44 1bvb s TYR 153 Cb -0.23 -2.95 -0.07 0.00 -0.40 0.00 0.00 41.96 38.32 1bvb s TYR 153 CO 0.22 -0.87 1.57 0.99 -1.57 0.00 0.00 175.55 175.89 1bvb s THR 154 N -2.47 3.40 -0.67 -0.71 2.01 -0.45 -4.87 115.64 111.88 1bvb s THR 154 Ca 0.62 0.75 0.25 0.00 0.31 0.00 0.00 61.69 63.63 1bvb s THR 154 Cb -0.14 -3.48 0.27 0.00 0.01 0.00 0.00 72.50 69.15 1bvb s THR 154 CO 0.34 -0.02 1.76 -2.65 -0.69 0.00 0.00 174.62 173.36 1bvb n PRO 155 N 5.91 0.22 -3.56 4.92 -0.02 -1.26 -4.58 135.00 136.63 1bvb n PRO 155 Ca 0.15 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1bvb n PRO 155 Cb 0.42 -1.80 -0.09 0.00 -0.02 0.00 0.00 33.50 32.01 1bvb n PRO 155 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1bvb s PHE 156 N -3.17 3.40 0.35 6.00 0.08 -1.26 -4.89 117.98 118.49 1bvb s PHE 156 Ca 0.09 -1.75 0.03 0.00 0.12 0.00 0.00 56.93 55.42 1bvb s PHE 156 Cb 0.12 -3.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 1bvb s PHE 156 CO 0.52 -0.95 0.10 0.95 -0.10 0.00 0.00 175.22 175.73 1bvb s THR 157 N 1.39 0.80 0.44 0.64 -4.23 -1.26 -4.91 115.64 108.51 1bvb s THR 157 Ca 0.05 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.75 1bvb s THR 157 Cb -0.25 -2.58 0.38 0.00 1.34 0.00 0.00 72.50 71.39 1bvb s THR 157 CO 0.00 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.32 1bvb h PRO 158 N 2.04 0.33 0.00 3.99 0.11 -1.72 -0.94 132.00 135.82 1bvb h PRO 158 Ca -0.38 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1bvb h PRO 158 Cb 1.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1bvb h PRO 158 CO 0.62 0.22 -0.04 0.93 -0.21 0.00 0.00 178.00 179.52 1bvb h GLU 159 N 0.34 0.00 0.02 1.05 4.39 -1.96 -2.64 114.58 115.78 1bvb h GLU 159 Ca 0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 1bvb h GLU 159 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1bvb h GLU 159 CO -0.13 0.04 -0.01 0.28 -1.16 0.00 0.00 179.01 178.04 1bvb h VAL 160 N 0.00 1.29 -1.95 3.13 2.07 -1.52 -3.47 116.25 115.79 1bvb h VAL 160 Ca -0.00 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 1bvb h VAL 160 Cb 0.08 2.40 -0.22 0.00 -1.52 0.00 0.00 31.29 32.03 1bvb h VAL 160 CO 0.01 0.42 0.11 -0.62 0.02 0.00 0.00 177.57 177.51 1bvb s ASP 161 N -5.97 -0.81 0.64 0.57 -1.08 -0.98 -5.00 116.67 104.04 1bvb s ASP 161 Ca -0.14 1.42 0.35 0.00 -0.52 0.00 0.00 52.55 53.65 1bvb s ASP 161 Cb -0.02 1.39 1.94 0.00 -1.46 0.00 0.00 42.92 44.77 1bvb s ASP 161 CO 0.52 -0.23 2.17 0.00 0.52 0.00 0.00 175.17 178.14 1bvb h ALA 162 N 5.89 1.39 -0.03 3.66 0.00 -1.82 -2.05 119.26 126.30 1bvb h ALA 162 Ca -0.29 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1bvb h ALA 162 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bvb h ALA 162 CO 0.11 -0.18 0.03 1.57 0.00 0.00 0.00 179.25 180.78 1bvb h LYS 163 N 0.00 0.00 -0.64 0.00 2.10 -1.92 -2.36 116.57 113.75 1bvb h LYS 163 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1bvb h LYS 163 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1bvb h LYS 163 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1bvb n TYR 164 N -3.99 0.00 -2.80 0.07 4.01 -0.77 -4.77 117.16 108.90 1bvb n TYR 164 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1bvb n TYR 164 Cb 0.12 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1bvb n TYR 164 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1bvb s THR 165 N -1.33 4.70 -0.16 -0.72 2.01 -0.89 -4.13 115.64 115.12 1bvb s THR 165 Ca 0.00 1.54 -0.21 0.00 0.31 0.00 0.00 61.69 63.32 1bvb s THR 165 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1bvb s THR 165 CO 0.00 -0.27 0.65 0.12 -0.69 0.00 0.00 174.62 174.42 1bvb s PHE 166 N 3.17 3.43 -0.32 4.92 5.36 -1.26 -5.03 117.98 128.26 1bvb s PHE 166 Ca 0.38 1.01 -0.00 0.00 -0.96 0.00 0.00 56.93 57.36 1bvb s PHE 166 Cb -0.14 -2.80 0.10 0.00 -0.34 0.00 0.00 43.02 39.85 1bvb s PHE 166 CO 0.11 -0.10 0.10 0.15 -1.46 0.00 0.00 175.22 174.03 1bvb s LYS 167 N 1.60 0.76 0.18 10.12 1.02 -1.26 -5.03 119.74 127.14 1bvb s LYS 167 Ca 0.31 -1.14 -0.19 0.00 0.02 0.00 0.00 55.97 54.96 1bvb s LYS 167 Cb -0.16 -2.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.24 1bvb s LYS 167 CO 0.12 -0.99 1.61 0.35 -0.92 0.00 0.00 175.35 175.51 1bvb h PHE 168 N 8.01 -0.67 -0.10 3.18 3.57 -1.96 0.55 116.94 129.51 1bvb h PHE 168 Ca -0.13 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.46 1bvb h PHE 168 Cb 1.01 0.37 -0.00 0.00 2.79 0.00 0.00 35.95 40.12 1bvb h PHE 168 CO 0.37 -0.33 0.19 -0.44 -2.23 0.00 0.00 178.31 175.86 1bvb h ASP 169 N -0.15 0.00 0.01 0.41 5.19 -2.00 0.16 116.42 120.04 1bvb h ASP 169 Ca 0.22 0.00 -0.40 0.00 -0.62 0.00 0.00 57.03 56.23 1bvb h ASP 169 Cb 0.50 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 1bvb h ASP 169 CO -0.58 0.00 -2.35 -0.62 -3.12 0.00 0.00 179.24 172.57 1bvb n GLU 170 N -3.44 0.63 0.08 3.56 1.02 -0.45 -4.48 120.64 117.57 1bvb n GLU 170 Ca -0.00 0.24 -0.02 0.00 -0.02 0.00 0.00 57.16 57.36 1bvb n GLU 170 Cb 0.28 -1.55 0.24 0.00 -0.02 0.00 0.00 31.44 30.39 1bvb n GLU 170 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1bvb h MET 171 N -0.43 0.28 0.00 3.49 2.86 0.75 -1.91 114.93 119.96 1bvb h MET 171 Ca -0.59 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 1bvb h MET 171 Cb 1.76 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.41 1bvb h MET 171 CO -0.20 0.60 0.00 -0.39 1.06 0.00 0.00 176.91 177.98 1bvb h VAL 172 N 0.24 0.00 -0.39 -2.22 -1.51 -0.93 -2.43 116.25 109.02 1bvb h VAL 172 Ca 0.03 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1bvb h VAL 172 Cb 0.73 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 1bvb h VAL 172 CO 0.06 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.69 1bvb n LYS 173 N -2.88 2.24 -3.57 5.19 5.02 -0.72 -4.72 118.16 118.72 1bvb n LYS 173 Ca -0.02 -1.53 -0.41 0.00 -2.02 0.00 0.00 58.31 54.34 1bvb n LYS 173 Cb 0.12 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1bvb n LYS 173 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1bvb s GLU 174 N -1.58 2.63 0.55 1.97 2.02 -0.92 -4.94 118.70 118.43 1bvb s GLU 174 Ca 0.28 -2.02 0.28 0.00 0.02 0.00 0.00 54.97 53.53 1bvb s GLU 174 Cb 0.16 -3.94 1.55 0.00 0.10 0.00 0.00 34.13 32.00 1bvb s GLU 174 CO 0.16 -1.20 1.85 -0.39 0.02 0.00 0.00 175.26 175.70 1bvb h VAL 175 N 5.79 0.00 0.00 2.63 -1.51 -1.84 0.45 116.25 121.76 1bvb h VAL 175 Ca -0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.35 1bvb h VAL 175 Cb 1.04 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1bvb h VAL 175 CO 0.81 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 177.26 1bvb h LYS 176 N 0.00 0.00 0.05 5.19 6.56 -1.92 -1.76 116.57 124.69 1bvb h LYS 176 Ca 0.00 0.00 -0.37 0.00 -1.06 0.00 0.00 60.65 59.22 1bvb h LYS 176 Cb 0.43 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.04 1bvb h LYS 176 CO 0.00 0.00 -2.25 0.00 -2.06 0.00 0.00 179.45 175.14 1bvb n ALA 177 N -2.09 1.23 -1.15 3.86 0.00 0.15 -4.54 120.51 117.95 1bvb n ALA 177 Ca 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1bvb n ALA 177 Cb 0.49 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1bvb n ALA 177 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bvb n MET 178 N -3.31 0.00 0.00 0.00 2.81 -0.54 -4.75 117.12 111.34 1bvb n MET 178 Ca -0.38 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 1bvb n MET 178 Cb 1.03 -0.18 0.00 0.00 -0.71 0.00 0.00 33.22 33.36 1bvb n MET 178 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 1bvb n HIS 179 N -0.64 0.00 -1.80 2.03 -0.00 -0.66 -4.71 115.22 109.44 1bvb n HIS 179 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1bvb n HIS 179 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1bvb n HIS 179 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1bvb s GLU 180 N -2.00 3.89 -0.16 -1.40 2.56 -1.23 -4.59 118.70 115.77 1bvb s GLU 180 Ca 0.00 2.50 -0.08 0.00 0.00 0.00 0.00 54.97 57.39 1bvb s GLU 180 Cb 0.00 -2.81 -0.04 0.00 2.00 0.00 0.00 34.13 33.27 1bvb s GLU 180 CO 0.00 -0.68 0.13 -1.01 -0.56 0.00 0.00 175.26 173.14 1bvb s HIS 181 N -1.16 3.49 0.18 5.30 3.76 -1.26 -4.75 115.29 120.85 1bvb s HIS 181 Ca 0.57 0.41 0.10 0.00 -0.15 0.00 0.00 55.06 55.99 1bvb s HIS 181 Cb -0.45 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 1bvb s HIS 181 CO 0.60 0.50 -0.18 0.71 -0.85 0.00 0.00 174.74 175.52 1bvb s TYR 182 N -0.33 2.44 0.16 1.40 2.02 -1.26 -1.91 117.35 119.88 1bvb s TYR 182 Ca 0.11 -0.30 -0.32 0.00 -0.37 0.00 0.00 57.07 56.19 1bvb s TYR 182 Cb -0.12 -1.21 -0.12 0.00 -0.40 0.00 0.00 41.96 40.12 1bvb s TYR 182 CO 0.01 0.50 1.75 1.63 -1.57 0.00 0.00 175.55 177.87 1bvb n LYS 183 N 0.22 2.69 -3.88 -0.62 4.76 -0.53 -4.87 118.16 115.94 1bvb n LYS 183 Ca -0.12 0.97 -0.32 0.00 -2.87 0.00 0.00 58.31 55.97 1bvb n LYS 183 Cb 0.56 -2.83 -0.04 0.00 -1.84 0.00 0.00 35.03 30.87 1bvb n LYS 183 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1bvb s LEU 184 N 1.76 4.35 0.24 -0.35 1.43 -1.26 -4.45 118.68 120.41 1bvb s LEU 184 Ca 0.78 0.35 0.23 0.00 -1.03 0.00 0.00 54.13 54.46 1bvb s LEU 184 Cb -0.52 -2.89 0.26 0.00 0.03 0.00 0.00 46.19 43.06 1bvb s LEU 184 CO 0.35 0.19 1.34 -0.33 0.23 0.00 0.00 176.35 178.12 1bvb h GLU 185 N 3.30 0.00 -1.35 1.70 5.08 -1.99 -3.48 114.58 117.83 1bvb h GLU 185 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1bvb h GLU 185 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1bvb h GLU 185 CO 0.73 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 1bvb n GLY 186 N 1.21 0.48 0.22 -3.84 0.00 -1.26 -4.98 105.19 97.02 1bvb n GLY 186 Ca 0.02 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1bvb n GLY 186 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bvb h VAL 187 N 0.00 0.41 -3.68 1.61 -1.51 -1.93 -3.43 116.25 107.72 1bvb h VAL 187 Ca 0.00 -1.17 -0.68 0.00 -1.23 0.00 0.00 66.70 63.62 1bvb h VAL 187 Cb 0.66 1.87 -0.18 0.00 -2.13 0.00 0.00 31.29 31.51 1bvb h VAL 187 CO 0.00 0.19 -0.72 -0.36 -1.23 0.00 0.00 177.57 175.45 1bvb s PHE 188 N -3.47 2.83 0.20 5.19 0.08 -1.26 -0.28 117.98 121.27 1bvb s PHE 188 Ca 0.02 -0.07 -0.13 0.00 0.12 0.00 0.00 56.93 56.87 1bvb s PHE 188 Cb 0.09 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1bvb s PHE 188 CO 0.64 0.34 0.42 -1.83 -0.10 0.00 0.00 175.22 174.70 1bvb s GLU 189 N -1.36 1.35 0.06 0.44 -1.05 -0.54 -4.94 118.70 112.65 1bvb s GLU 189 Ca 0.16 -1.11 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 1bvb s GLU 189 Cb -0.11 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1bvb s GLU 189 CO 0.07 -0.54 0.00 0.41 0.95 0.00 0.00 175.26 176.14 1bvb n GLY 190 N -0.31 -2.70 3.82 -3.83 0.00 -1.26 -1.20 105.19 99.71 1bvb n GLY 190 Ca -0.06 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 1bvb n GLY 190 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bvb s GLU 191 N -0.93 4.13 -0.17 1.61 0.41 -1.26 -3.66 118.70 118.84 1bvb s GLU 191 Ca 0.00 1.15 -0.29 0.00 -0.41 0.00 0.00 54.97 55.42 1bvb s GLU 191 Cb 0.00 -2.16 -0.01 0.00 -1.78 0.00 0.00 34.13 30.18 1bvb s GLU 191 CO 0.00 -0.12 1.16 -1.25 -0.49 0.00 0.00 175.26 174.55 1bvb s PRO 192 N -3.26 4.27 -0.17 0.39 0.04 -1.26 -2.77 135.00 132.24 1bvb s PRO 192 Ca 0.63 1.54 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 1bvb s PRO 192 Cb -0.10 -3.68 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 1bvb s PRO 192 CO 0.16 -0.61 -0.07 0.21 0.04 0.00 0.00 177.00 176.73 1bvb s LYS 193 N 3.09 3.48 0.20 4.56 2.20 -1.24 -4.85 119.74 127.19 1bvb s LYS 193 Ca 0.51 -0.61 -0.32 0.00 -0.36 0.00 0.00 55.97 55.19 1bvb s LYS 193 Cb -0.20 -2.86 -0.14 0.00 -1.51 0.00 0.00 37.83 33.12 1bvb s LYS 193 CO 0.13 0.08 1.31 0.34 -0.36 0.00 0.00 175.35 176.85 1bvb n PHE 194 N 3.97 1.77 0.33 4.03 7.35 -1.24 -4.88 117.46 128.79 1bvb n PHE 194 Ca -0.18 0.54 0.21 0.00 -0.76 0.00 0.00 57.45 57.26 1bvb n PHE 194 Cb 0.52 -2.38 1.13 0.00 0.35 0.00 0.00 39.48 39.10 1bvb n PHE 194 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1bvb h LYS 195 N 3.93 0.00 -0.23 -4.13 2.10 -1.91 -1.15 116.57 115.18 1bvb h LYS 195 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1bvb h LYS 195 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1bvb h LYS 195 CO 0.74 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.38 1bvb n PHE 196 N -3.20 0.33 -0.01 0.07 3.72 -1.26 -4.74 117.46 112.38 1bvb n PHE 196 Ca -0.03 -0.53 -0.10 0.00 -0.05 0.00 0.00 57.45 56.74 1bvb n PHE 196 Cb 0.11 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.56 1bvb n PHE 196 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1bvb h HIS 197 N 1.34 0.03 -0.40 1.38 -0.00 -1.56 0.18 115.15 116.11 1bvb h HIS 197 Ca 0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 1bvb h HIS 197 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 1bvb h HIS 197 CO 0.17 0.01 -0.10 -0.44 -0.00 0.00 0.00 177.93 177.56 1bvb h ASP 198 N 0.07 0.69 -0.33 3.26 3.32 -1.85 -0.95 116.42 120.63 1bvb h ASP 198 Ca 0.05 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 1bvb h ASP 198 Cb 0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1bvb h ASP 198 CO -0.08 0.83 0.01 -0.08 -1.72 0.00 0.00 179.24 178.20 1bvb h GLU 199 N 0.65 0.57 -0.15 3.56 4.81 -1.78 0.16 114.58 122.39 1bvb h GLU 199 Ca 0.11 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1bvb h GLU 199 Cb 0.55 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1bvb h GLU 199 CO 0.03 0.69 0.09 0.74 -0.73 0.00 0.00 179.01 179.83 1bvb h PHE 200 N 0.38 0.20 -0.16 0.92 0.04 -0.28 -2.52 116.94 115.52 1bvb h PHE 200 Ca 0.09 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 1bvb h PHE 200 Cb 0.43 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1bvb h PHE 200 CO 0.03 0.20 -0.18 1.96 -0.60 0.00 0.00 178.31 179.72 1bvb h GLN 201 N 0.15 0.27 -0.09 1.51 1.08 -1.15 -1.53 115.11 115.34 1bvb h GLN 201 Ca 0.05 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1bvb h GLN 201 Cb 0.06 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1bvb h GLN 201 CO -0.01 0.45 -0.09 0.00 -0.95 0.00 0.00 178.83 178.23 1bvb h ALA 202 N 1.57 1.69 -0.29 3.87 0.00 -0.25 -2.94 119.26 122.92 1bvb h ALA 202 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bvb h ALA 202 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bvb h ALA 202 CO 0.03 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1bvb n SER 203 N -4.36 3.19 -4.77 0.00 3.41 -0.97 -5.05 113.62 105.07 1bvb n SER 203 Ca -0.01 -2.38 -0.35 0.00 -0.26 0.00 0.00 58.87 55.86 1bvb n SER 203 Cb 0.21 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1bvb n SER 203 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bvb s ALA 204 N -1.68 2.68 0.55 7.33 0.00 -0.62 -5.01 121.76 125.01 1bvb s ALA 204 Ca 0.29 0.81 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1bvb s ALA 204 Cb 0.19 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1bvb s ALA 204 CO 0.12 -0.81 1.12 0.15 0.00 0.00 0.00 175.76 176.35 1bvb s LYS 205 N -3.33 3.33 0.62 0.00 1.02 -0.80 -4.62 119.74 115.96 1bvb s LYS 205 Ca 0.73 1.59 -0.18 0.00 0.02 0.00 0.00 55.97 58.12 1bvb s LYS 205 Cb -0.24 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1bvb s LYS 205 CO 0.28 -0.86 1.26 -1.25 -0.92 0.00 0.00 175.35 173.86 1bvb s PRO 206 N -3.35 2.73 1.05 -1.68 0.04 -1.26 -1.45 135.00 131.07 1bvb s PRO 206 Ca 0.72 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1bvb s PRO 206 Cb -0.23 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.61 1bvb s PRO 206 CO 0.28 -1.44 0.87 0.00 0.04 0.00 0.00 177.00 176.75 1bvb n ALA 207 N -1.76 -2.23 0.00 8.56 0.00 -1.26 -4.64 120.51 119.18 1bvb n ALA 207 Ca 0.15 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1bvb n ALA 207 Cb 0.49 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1bvb n ALA 207 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1bvb n LYS 208 N -3.96 0.00 0.00 0.00 2.85 -1.26 -5.01 118.16 110.78 1bvb n LYS 208 Ca 0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.33 1bvb n LYS 208 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 1bvb n LYS 208 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1bvb n LYS 209 N -0.22 0.00 -0.66 -1.58 5.02 -1.26 -4.37 118.16 115.10 1bvb n LYS 209 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1bvb n LYS 209 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1bvb n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bvb n GLY 210 N -1.28 -2.06 0.00 0.72 0.00 -1.26 -4.87 105.19 96.44 1bvb n GLY 210 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1bvb n GLY 210 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49