#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bb1 s ARG 9 N 0.00 3.92 0.20 7.34 0.52 -1.21 -4.79 118.95 124.92 3bb1 s ARG 9 Ca 0.00 1.80 -0.30 0.00 -0.52 0.00 0.00 55.73 56.71 3bb1 s ARG 9 Cb 0.00 -2.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.85 3bb1 s ARG 9 CO 0.00 -0.42 1.03 0.20 0.02 0.00 0.00 175.30 176.12 3bb1 s GLY 10 N -1.26 2.99 -0.36 -3.53 0.00 -1.26 -2.26 107.32 101.64 3bb1 s GLY 10 Ca 0.60 0.72 -0.06 0.00 0.00 0.00 0.00 44.72 45.99 3bb1 s GLY 10 CO 0.36 1.46 1.48 1.87 0.00 0.00 0.00 173.10 178.27 3bb1 n TRP 11 N 2.04 0.57 0.05 1.90 -0.00 -0.13 -4.64 117.44 117.23 3bb1 n TRP 11 Ca 0.01 -1.08 0.17 0.00 -0.00 0.00 0.00 57.50 56.60 3bb1 n TRP 11 Cb 0.47 -1.04 0.66 0.00 -0.00 0.00 0.00 31.31 31.40 3bb1 n TRP 11 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3bb1 h SER 12 N 7.56 0.03 -0.91 5.87 4.64 -1.88 -2.92 113.55 125.94 3bb1 h SER 12 Ca 0.21 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.71 3bb1 h SER 12 Cb 0.14 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.16 3bb1 h SER 12 CO 1.29 0.02 0.59 1.23 -0.87 0.00 0.00 176.83 179.08 3bb1 h GLY 13 N 0.03 1.17 0.77 -0.77 0.00 -1.82 -0.86 103.07 101.59 3bb1 h GLY 13 Ca 0.20 -0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.39 3bb1 h GLY 13 CO -0.01 0.04 0.49 0.16 0.00 0.00 0.00 176.54 177.22 3bb1 h ILE 14 N 0.61 0.84 -0.06 2.60 3.07 -1.66 0.98 117.51 123.89 3bb1 h ILE 14 Ca 0.47 -0.16 0.02 0.00 1.55 0.00 0.00 64.86 66.74 3bb1 h ILE 14 Cb 0.90 0.32 -0.00 0.00 -0.27 0.00 0.00 36.82 37.77 3bb1 h ILE 14 CO -0.22 0.09 0.17 0.78 -1.05 0.00 0.00 178.15 177.91 3bb1 h ASN 15 N 0.47 0.00 1.92 2.16 2.35 -1.38 0.22 115.58 121.33 3bb1 h ASN 15 Ca 0.35 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 3bb1 h ASN 15 Cb 0.72 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 3bb1 h ASN 15 CO -0.12 0.00 -0.07 0.71 -1.65 0.00 0.00 177.43 176.30 3bb1 h THR 16 N 0.00 0.13 -3.56 2.81 1.35 -0.96 -3.46 112.91 109.22 3bb1 h THR 16 Ca 0.03 -1.18 -0.43 0.00 -0.55 0.00 0.00 66.41 64.28 3bb1 h THR 16 Cb 0.36 2.06 0.18 0.00 -1.73 0.00 0.00 68.15 69.03 3bb1 h THR 16 CO -0.00 0.07 0.11 -0.36 -0.25 0.00 0.00 175.52 175.10 3bb1 s PHE 17 N -3.17 1.08 0.47 4.73 0.08 0.78 -5.02 117.98 116.92 3bb1 s PHE 17 Ca 0.07 0.75 -0.19 0.00 0.12 0.00 0.00 56.93 57.67 3bb1 s PHE 17 Cb 0.05 -3.29 -0.09 0.00 -0.57 0.00 0.00 43.02 39.12 3bb1 s PHE 17 CO 0.68 -3.65 0.98 0.00 -0.10 0.00 0.00 175.22 173.13 3bb1 s ALA 18 N -2.86 3.01 0.29 5.36 0.00 -1.26 -4.80 121.76 121.51 3bb1 s ALA 18 Ca 0.68 0.36 0.01 0.00 0.00 0.00 0.00 51.96 53.01 3bb1 s ALA 18 Cb -0.15 -3.16 0.55 0.00 0.00 0.00 0.00 23.12 20.36 3bb1 s ALA 18 CO 0.58 -0.08 1.87 -1.35 0.00 0.00 0.00 175.76 176.78 3bb1 h PRO 19 N 1.50 0.98 -0.69 0.00 0.11 -1.95 1.60 132.00 133.55 3bb1 h PRO 19 Ca -0.48 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 3bb1 h PRO 19 Cb 1.19 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 3bb1 h PRO 19 CO 0.61 0.65 0.16 0.00 -0.21 0.00 0.00 178.00 179.21 3bb1 h ALA 20 N 1.52 0.98 -0.38 -0.75 0.00 -1.93 0.22 119.26 118.91 3bb1 h ALA 20 Ca 0.45 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3bb1 h ALA 20 Cb 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3bb1 h ALA 20 CO -0.21 0.66 -0.34 1.15 0.00 0.00 0.00 179.25 180.51 3bb1 h THR 21 N 1.04 1.28 -0.35 0.00 2.02 -1.73 -2.23 112.91 112.94 3bb1 h THR 21 Ca 0.22 -1.51 0.01 0.00 0.77 0.00 0.00 66.41 65.90 3bb1 h THR 21 Cb 0.37 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3bb1 h THR 21 CO 0.00 0.50 0.22 1.56 0.37 0.00 0.00 175.52 178.17 3bb1 h GLN 22 N 0.72 0.43 -0.22 6.66 4.20 0.26 -1.50 115.11 125.66 3bb1 h GLN 22 Ca 0.07 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3bb1 h GLN 22 Cb 0.93 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3bb1 h GLN 22 CO 0.09 0.29 0.14 1.15 -0.67 0.00 0.00 178.83 179.82 3bb1 h THR 23 N 0.44 1.05 -0.52 -0.54 2.02 -0.60 -1.63 112.91 113.14 3bb1 h THR 23 Ca 0.13 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3bb1 h THR 23 Cb -0.03 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3bb1 h THR 23 CO -0.05 0.05 0.33 0.11 0.37 0.00 0.00 175.52 176.34 3bb1 h LYS 24 N 0.29 0.66 -0.53 6.66 6.56 -1.23 -0.98 116.57 127.99 3bb1 h LYS 24 Ca 0.08 -0.04 -0.11 0.00 -1.06 0.00 0.00 60.65 59.52 3bb1 h LYS 24 Cb -0.03 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.47 3bb1 h LYS 24 CO -0.02 0.43 -0.10 -0.07 -2.06 0.00 0.00 179.45 177.63 3bb1 h LEU 25 N 0.67 0.99 -0.78 2.94 3.38 -1.08 0.79 115.31 122.23 3bb1 h LEU 25 Ca 0.20 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3bb1 h LEU 25 Cb -0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3bb1 h LEU 25 CO -0.06 1.10 0.09 -0.07 0.09 0.00 0.00 178.44 179.59 3bb1 h LEU 26 N 0.89 0.97 -0.67 1.67 3.38 -1.16 0.47 115.31 120.85 3bb1 h LEU 26 Ca 0.14 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3bb1 h LEU 26 Cb 0.66 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3bb1 h LEU 26 CO 0.05 0.97 -0.24 -0.33 0.09 0.00 0.00 178.44 178.98 3bb1 h GLU 27 N 0.95 0.78 -0.20 1.13 5.08 -0.74 0.45 114.58 122.04 3bb1 h GLU 27 Ca 0.19 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3bb1 h GLU 27 Cb 0.43 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3bb1 h GLU 27 CO 0.01 0.94 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.69 3bb1 h LEU 28 N 0.68 0.51 -1.42 1.33 3.38 0.89 -2.69 115.31 117.99 3bb1 h LEU 28 Ca 0.09 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3bb1 h LEU 28 Cb 0.75 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3bb1 h LEU 28 CO 0.06 0.89 0.12 -0.07 0.09 0.00 0.00 178.44 179.53 3bb1 h LEU 29 N 0.15 0.46 -0.45 1.67 4.07 -0.06 -2.81 115.31 118.34 3bb1 h LEU 29 Ca 0.03 -0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.01 3bb1 h LEU 29 Cb 0.74 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.30 3bb1 h LEU 29 CO 0.05 0.44 0.09 1.23 -1.08 0.00 0.00 178.44 179.17 3bb1 h GLY 30 N 0.69 0.54 0.65 0.83 0.00 -0.60 -1.94 103.07 103.23 3bb1 h GLY 30 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3bb1 h GLY 30 CO -0.01 -0.05 -0.07 1.16 0.00 0.00 0.00 176.54 177.57 3bb1 n ASN 31 N -5.10 0.59 0.09 0.19 0.23 -1.04 -0.82 115.26 109.40 3bb1 n ASN 31 Ca 0.04 -0.84 -0.23 0.00 -0.53 0.00 0.00 54.58 53.02 3bb1 n ASN 31 Cb 0.21 -0.04 -0.15 0.00 -2.08 0.00 0.00 39.78 37.72 3bb1 n ASN 31 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3bb1 h LEU 32 N 0.81 0.65 -0.89 -4.53 4.07 -1.41 -3.31 115.31 110.69 3bb1 h LEU 32 Ca 0.00 -0.92 0.04 0.00 0.08 0.00 0.00 57.88 57.08 3bb1 h LEU 32 Cb 0.32 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.79 3bb1 h LEU 32 CO 0.00 1.65 0.57 0.50 -1.08 0.00 0.00 178.44 180.09 3bb1 h LYS 33 N -0.04 1.07 0.00 1.13 1.63 -1.02 0.36 116.57 119.70 3bb1 h LYS 33 Ca -0.26 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3bb1 h LYS 33 Cb 1.99 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 3bb1 h LYS 33 CO 0.20 0.71 0.00 0.37 -3.45 0.00 0.00 179.45 177.27 3bb1 h GLN 34 N 1.10 0.00 -0.14 1.90 5.75 -1.09 -2.74 115.11 119.90 3bb1 h GLN 34 Ca 0.37 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.83 3bb1 h GLN 34 Cb 0.05 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3bb1 h GLN 34 CO -0.13 0.00 -0.09 0.39 -2.65 0.00 0.00 178.83 176.35 3bb1 n GLU 35 N -2.74 1.90 -4.24 1.69 -0.58 -0.91 -4.95 120.64 110.81 3bb1 n GLU 35 Ca -0.02 -2.88 -0.32 0.00 -0.42 0.00 0.00 57.16 53.52 3bb1 n GLU 35 Cb 0.07 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.20 3bb1 n GLU 35 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3bb1 n ASP 36 N -1.07 -0.63 -4.31 1.62 8.00 -1.03 -4.97 116.55 114.16 3bb1 n ASP 36 Ca 0.21 -1.15 -0.37 0.00 0.71 0.00 0.00 54.79 54.19 3bb1 n ASP 36 Cb 0.79 -2.22 -0.13 0.00 -0.02 0.00 0.00 41.12 39.55 3bb1 n ASP 36 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bb1 s VAL 37 N -3.88 3.85 -0.02 2.53 1.01 0.12 -4.95 120.40 119.05 3bb1 s VAL 37 Ca 0.27 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3bb1 s VAL 37 Cb -0.15 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3bb1 s VAL 37 CO 0.96 -0.02 -0.02 0.59 0.00 0.00 0.00 175.10 176.62 3bb1 n ASN 38 N 4.84 3.87 -4.99 3.32 3.02 -1.26 -2.77 115.26 121.28 3bb1 n ASN 38 Ca -0.14 -0.01 -0.20 0.00 -0.03 0.00 0.00 54.58 54.21 3bb1 n ASN 38 Cb 0.47 -0.02 0.06 0.00 -0.61 0.00 0.00 39.78 39.68 3bb1 n ASN 38 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3bb1 s SER 39 N -4.16 5.12 -0.30 6.41 0.15 -1.26 0.93 113.70 120.59 3bb1 s SER 39 Ca -0.03 -0.70 -0.17 0.00 0.70 0.00 0.00 55.95 55.76 3bb1 s SER 39 Cb 0.01 0.06 0.18 0.00 -1.71 0.00 0.00 66.02 64.56 3bb1 s SER 39 CO 0.04 -1.29 1.13 -0.22 1.20 0.00 0.00 173.24 174.10 3bb1 s LEU 40 N -4.67 -0.33 -0.18 3.45 0.20 -0.84 -4.82 118.68 111.49 3bb1 s LEU 40 Ca 0.61 0.46 -0.05 0.00 0.69 0.00 0.00 54.13 55.84 3bb1 s LEU 40 Cb -0.07 1.39 -0.03 0.00 -0.43 0.00 0.00 46.19 47.05 3bb1 s LEU 40 CO 0.38 -0.06 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.48 3bb1 s THR 41 N 2.17 3.98 -0.12 3.68 2.01 -1.26 -1.77 115.64 124.31 3bb1 s THR 41 Ca -0.02 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3bb1 s THR 41 Cb -0.03 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 3bb1 s THR 41 CO -0.16 0.46 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.42 3bb1 s ILE 42 N 0.71 2.69 -0.16 1.82 1.01 -0.17 -0.50 121.20 126.60 3bb1 s ILE 42 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3bb1 s ILE 42 Cb -0.14 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 3bb1 s ILE 42 CO 0.02 0.53 0.06 -0.22 0.00 0.00 0.00 174.94 175.34 3bb1 s LEU 43 N 0.42 3.85 -0.27 2.97 2.96 -0.53 -0.56 118.68 127.52 3bb1 s LEU 43 Ca -0.12 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3bb1 s LEU 43 Cb -0.16 -1.96 0.04 0.00 0.50 0.00 0.00 46.19 44.61 3bb1 s LEU 43 CO 0.06 0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.58 3bb1 s VAL 44 N 0.02 2.76 0.04 1.68 1.01 -0.31 0.99 120.40 126.59 3bb1 s VAL 44 Ca 0.06 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.80 3bb1 s VAL 44 Cb -0.12 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3bb1 s VAL 44 CO 0.01 0.06 -0.08 -0.04 0.00 0.00 0.00 175.10 175.05 3bb1 s MET 45 N 1.26 0.53 0.00 2.72 -1.94 -0.62 -3.51 119.30 117.74 3bb1 s MET 45 Ca -0.03 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3bb1 s MET 45 Cb -0.18 -0.31 0.00 0.00 2.01 0.00 0.00 34.83 36.35 3bb1 s MET 45 CO -0.04 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.44 3bb1 n GLY 46 N 1.56 -0.42 0.08 -0.03 0.00 -1.26 -1.78 105.19 103.34 3bb1 n GLY 46 Ca -0.22 0.32 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 3bb1 n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bb1 n LYS 47 N 0.00 1.17 0.00 1.61 4.81 -1.26 -1.18 118.16 123.31 3bb1 n LYS 47 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3bb1 n LYS 47 Cb 0.00 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3bb1 n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bb1 n GLY 48 N 2.24 2.37 3.80 3.14 0.00 -1.26 -3.37 105.19 112.10 3bb1 n GLY 48 Ca -0.28 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3bb1 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bb1 n GLY 49 N 4.31 -0.47 0.00 -0.02 0.00 -1.26 -4.93 105.19 102.82 3bb1 n GLY 49 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3bb1 n GLY 49 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3bb1 n VAL 50 N -4.67 0.00 0.00 1.61 0.24 -1.26 -5.00 118.33 109.26 3bb1 n VAL 50 Ca -0.03 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3bb1 n VAL 50 Cb 0.56 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 3bb1 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bb1 n GLY 51 N 0.36 1.51 0.25 7.63 0.00 -1.26 -4.32 105.19 109.37 3bb1 n GLY 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3bb1 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb1 h LYS 52 N 0.00 -0.54 -0.65 1.61 1.57 -1.95 -1.43 116.57 115.18 3bb1 h LYS 52 Ca 0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3bb1 h LYS 52 Cb 0.00 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3bb1 h LYS 52 CO 0.00 -0.24 0.31 0.77 -0.57 0.00 0.00 179.45 179.72 3bb1 h SER 53 N -0.99 0.85 -0.82 0.86 0.02 -1.93 0.23 113.55 111.78 3bb1 h SER 53 Ca -0.06 -0.13 0.06 0.00 -0.84 0.00 0.00 61.79 60.82 3bb1 h SER 53 Cb 0.55 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 3bb1 h SER 53 CO 0.09 0.75 0.54 0.28 -1.14 0.00 0.00 176.83 177.35 3bb1 h SER 54 N 0.89 0.79 -0.18 3.07 0.02 -1.89 0.19 113.55 116.44 3bb1 h SER 54 Ca 0.22 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3bb1 h SER 54 Cb 0.12 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3bb1 h SER 54 CO -0.03 0.51 -0.33 0.74 -1.14 0.00 0.00 176.83 176.59 3bb1 h THR 55 N 0.90 1.34 -0.50 -2.27 2.02 0.07 0.88 112.91 115.35 3bb1 h THR 55 Ca 0.35 -1.56 0.09 0.00 0.77 0.00 0.00 66.41 66.06 3bb1 h THR 55 Cb 0.22 1.89 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 3bb1 h THR 55 CO -0.12 0.48 0.08 0.58 0.37 0.00 0.00 175.52 176.90 3bb1 h VAL 56 N 0.20 0.69 -0.46 3.16 2.07 -0.09 -1.03 116.25 120.79 3bb1 h VAL 56 Ca 0.01 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3bb1 h VAL 56 Cb 0.92 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3bb1 h VAL 56 CO 0.07 0.04 0.18 0.78 0.02 0.00 0.00 177.57 178.66 3bb1 h ASN 57 N 0.21 0.60 0.17 0.57 2.35 -0.16 -1.38 115.58 117.94 3bb1 h ASN 57 Ca 0.25 -0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.74 3bb1 h ASN 57 Cb 0.35 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3bb1 h ASN 57 CO -0.35 0.54 -0.78 0.28 -1.65 0.00 0.00 177.43 175.48 3bb1 h SER 58 N 0.65 0.60 0.59 5.81 0.02 -0.08 -1.78 113.55 119.37 3bb1 h SER 58 Ca 0.16 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3bb1 h SER 58 Cb 0.14 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.51 3bb1 h SER 58 CO -0.02 1.17 -0.28 0.40 -1.14 0.00 0.00 176.83 176.96 3bb1 h ILE 59 N 0.33 0.00 -1.29 3.27 2.04 -0.84 -3.01 117.51 118.01 3bb1 h ILE 59 Ca -0.04 -0.20 0.38 0.00 1.00 0.00 0.00 64.86 65.99 3bb1 h ILE 59 Cb 1.37 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 3bb1 h ILE 59 CO 0.14 0.00 0.90 0.40 0.00 0.00 0.00 178.15 179.59 3bb1 h ILE 60 N -0.99 0.33 0.00 -0.67 1.08 -1.34 -3.46 117.51 112.46 3bb1 h ILE 60 Ca -0.08 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3bb1 h ILE 60 Cb 0.61 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 3bb1 h ILE 60 CO 0.13 0.02 0.00 0.61 -0.69 0.00 0.00 178.15 178.22 3bb1 n GLY 61 N -1.69 0.75 3.65 5.37 0.00 -0.70 -3.71 105.19 108.86 3bb1 n GLY 61 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 3bb1 n GLY 61 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3bb1 s GLU 62 N -0.52 1.49 -0.96 1.61 -1.05 -1.02 -4.67 118.70 113.58 3bb1 s GLU 62 Ca 0.00 -0.72 -0.24 0.00 -0.15 0.00 0.00 54.97 53.87 3bb1 s GLU 62 Cb 0.00 0.58 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 3bb1 s GLU 62 CO 0.00 -0.67 1.58 1.03 0.95 0.00 0.00 175.26 178.14 3bb1 s ARG 63 N -3.77 3.28 -0.01 -4.83 0.52 -1.26 -4.52 118.95 108.35 3bb1 s ARG 63 Ca 0.07 -0.81 0.13 0.00 -0.52 0.00 0.00 55.73 54.60 3bb1 s ARG 63 Cb -0.03 -5.19 -0.18 0.00 0.52 0.00 0.00 34.95 30.06 3bb1 s ARG 63 CO -0.03 -2.52 0.41 0.28 0.02 0.00 0.00 175.30 173.47 3bb1 n VAL 64 N 7.12 0.00 -4.10 3.52 0.31 -1.26 -4.94 118.33 118.97 3bb1 n VAL 64 Ca 0.33 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 3bb1 n VAL 64 Cb 0.50 0.54 -0.12 0.00 -0.91 0.00 0.00 33.84 33.84 3bb1 n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3bb1 s VAL 65 N -2.64 0.53 0.23 2.52 -7.23 -1.26 -5.09 120.40 107.46 3bb1 s VAL 65 Ca -0.01 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 3bb1 s VAL 65 Cb 0.09 -0.55 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 3bb1 s VAL 65 CO 0.55 -0.23 1.31 -0.94 -0.31 0.00 0.00 175.10 175.48 3bb1 s SER 66 N -1.16 6.88 -0.26 4.85 1.04 -1.26 -4.92 113.70 118.87 3bb1 s SER 66 Ca -0.06 2.47 0.01 0.00 0.48 0.00 0.00 55.95 58.84 3bb1 s SER 66 Cb -0.08 -2.62 0.05 0.00 0.10 0.00 0.00 66.02 63.47 3bb1 s SER 66 CO 0.00 -0.52 -0.08 0.27 0.98 0.00 0.00 173.24 173.89 3bb1 s ILE 67 N -0.19 2.51 -0.16 -1.02 -4.36 -1.26 -4.85 121.20 111.86 3bb1 s ILE 67 Ca 0.55 -1.38 -0.25 0.00 -0.26 0.00 0.00 60.65 59.31 3bb1 s ILE 67 Cb -0.37 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 3bb1 s ILE 67 CO 0.41 0.05 0.79 -0.55 0.24 0.00 0.00 174.94 175.89 3bb1 s SER 68 N 1.20 6.92 0.00 4.36 0.15 -1.26 -4.96 113.70 120.12 3bb1 s SER 68 Ca -0.05 1.13 0.19 0.00 0.70 0.00 0.00 55.95 57.92 3bb1 s SER 68 Cb -0.19 -2.44 0.87 0.00 -1.71 0.00 0.00 66.02 62.56 3bb1 s SER 68 CO -0.05 -0.35 1.59 -0.81 1.20 0.00 0.00 173.24 174.82 3bb1 n PRO 69 N 5.05 0.13 0.00 5.44 -0.04 -1.26 -4.55 135.00 139.77 3bb1 n PRO 69 Ca 0.03 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3bb1 n PRO 69 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3bb1 n PRO 69 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bb1 n PHE 70 N -1.40 0.00 -3.57 0.54 3.72 -1.26 -5.11 117.46 110.38 3bb1 n PHE 70 Ca 0.07 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.35 3bb1 n PHE 70 Cb 0.19 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.69 3bb1 n PHE 70 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3bb1 s GLN 71 N -1.37 1.12 0.00 -1.08 2.00 -1.26 -5.21 119.66 113.86 3bb1 s GLN 71 Ca 0.00 -0.60 0.00 0.00 -2.00 0.00 0.00 55.36 52.76 3bb1 s GLN 71 Cb 0.00 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.31 3bb1 s GLN 71 CO 0.00 -0.45 0.00 0.43 -0.50 0.00 0.00 175.29 174.77 3bb1 n SER 72 N -0.19 0.00 0.11 6.67 7.64 -1.26 -4.65 113.62 121.94 3bb1 n SER 72 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 3bb1 n SER 72 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 3bb1 n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bb1 n GLY 74 N 0.00 -1.23 2.98 0.23 0.00 -1.26 -4.74 105.19 101.18 3bb1 n GLY 74 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 3bb1 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bb1 n PRO 75 N -2.94 0.59 -0.01 1.61 -0.02 -1.26 -4.79 135.00 128.17 3bb1 n PRO 75 Ca 0.00 -0.88 -0.13 0.00 -2.02 0.00 0.00 63.50 60.47 3bb1 n PRO 75 Cb 0.00 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 3bb1 n PRO 75 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3bb1 h ARG 76 N 7.88 -0.03 0.00 -0.52 1.12 -1.95 -3.47 114.38 117.41 3bb1 h ARG 76 Ca 0.18 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 3bb1 h ARG 76 Cb 0.18 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 3bb1 h ARG 76 CO 1.31 0.51 0.00 -0.35 -3.11 0.00 0.00 179.97 178.33 3bb1 n PRO 77 N -4.84 0.00 -4.18 0.20 -0.04 -1.26 -5.06 135.00 119.82 3bb1 n PRO 77 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 3bb1 n PRO 77 Cb 0.28 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.61 3bb1 n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bb1 s VAL 78 N 0.00 0.62 -0.10 0.52 1.01 -0.79 -4.97 120.40 116.69 3bb1 s VAL 78 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3bb1 s VAL 78 Cb 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 3bb1 s VAL 78 CO 0.00 -0.08 -0.16 -0.32 0.00 0.00 0.00 175.10 174.55 3bb1 s MET 79 N -0.85 3.01 0.05 2.72 1.75 -1.26 -0.41 119.30 124.32 3bb1 s MET 79 Ca -0.02 -0.73 0.09 0.00 -1.25 0.00 0.00 55.69 53.78 3bb1 s MET 79 Cb -0.06 -2.48 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 3bb1 s MET 79 CO 0.00 0.35 -0.24 0.14 -0.65 0.00 0.00 175.02 174.62 3bb1 s VAL 80 N -0.02 2.36 -0.04 10.11 -7.23 0.11 -4.95 120.40 120.74 3bb1 s VAL 80 Ca -0.04 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 3bb1 s VAL 80 Cb -0.14 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.86 3bb1 s VAL 80 CO 0.04 0.32 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.67 3bb1 s SER 81 N -1.40 0.89 -0.04 4.85 0.01 -1.26 -0.56 113.70 116.19 3bb1 s SER 81 Ca 0.13 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 3bb1 s SER 81 Cb -0.10 -0.41 0.03 0.00 0.21 0.00 0.00 66.02 65.75 3bb1 s SER 81 CO 0.04 -0.04 0.05 -0.13 0.41 0.00 0.00 173.24 173.57 3bb1 s ARG 82 N 0.79 -0.07 0.29 12.44 1.81 -0.25 -3.35 118.95 130.61 3bb1 s ARG 82 Ca -0.10 0.34 -0.07 0.00 -1.72 0.00 0.00 55.73 54.17 3bb1 s ARG 82 Cb -0.13 -0.45 -0.06 0.00 -0.45 0.00 0.00 34.95 33.85 3bb1 s ARG 82 CO 0.00 -0.30 0.59 -1.54 -0.68 0.00 0.00 175.30 173.38 3bb1 s SER 83 N 1.94 6.52 -0.29 0.23 1.04 -0.96 -1.94 113.70 120.24 3bb1 s SER 83 Ca 0.02 0.86 -0.20 0.00 0.48 0.00 0.00 55.95 57.10 3bb1 s SER 83 Cb -0.12 -2.20 0.15 0.00 0.10 0.00 0.00 66.02 63.94 3bb1 s SER 83 CO -0.03 -0.19 1.07 -0.60 0.98 0.00 0.00 173.24 174.47 3bb1 s ARG 84 N -3.35 0.37 -2.15 4.02 6.06 0.11 -0.95 118.95 123.06 3bb1 s ARG 84 Ca 0.46 0.53 0.00 0.00 -2.50 0.00 0.00 55.73 54.22 3bb1 s ARG 84 Cb -0.11 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.03 3bb1 s ARG 84 CO 0.27 -0.06 0.00 0.00 -2.50 0.00 0.00 175.30 173.01 3bb1 n ALA 85 N 2.86 -0.36 0.00 6.12 0.00 -1.26 -1.06 120.51 126.81 3bb1 n ALA 85 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3bb1 n ALA 85 Cb 0.57 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3bb1 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bb1 n GLY 86 N -0.47 1.93 3.80 0.00 0.00 -1.26 -5.05 105.19 104.14 3bb1 n GLY 86 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3bb1 n GLY 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bb1 s PHE 87 N -2.33 3.65 -0.11 1.61 2.19 -0.23 -4.89 117.98 117.87 3bb1 s PHE 87 Ca 0.00 1.63 0.02 0.00 0.33 0.00 0.00 56.93 58.91 3bb1 s PHE 87 Cb 0.00 -2.81 0.01 0.00 -1.31 0.00 0.00 43.02 38.91 3bb1 s PHE 87 CO 0.00 0.23 -0.16 0.99 1.83 0.00 0.00 175.22 178.12 3bb1 s THR 88 N -1.62 1.52 -0.22 0.12 2.01 0.27 0.09 115.64 117.80 3bb1 s THR 88 Ca 0.48 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3bb1 s THR 88 Cb -0.17 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 3bb1 s THR 88 CO 0.22 0.44 0.04 -0.22 -0.69 0.00 0.00 174.62 174.41 3bb1 s LEU 89 N 0.93 3.37 -0.25 4.42 2.96 -0.82 -1.99 118.68 127.30 3bb1 s LEU 89 Ca -0.08 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 3bb1 s LEU 89 Cb -0.15 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 3bb1 s LEU 89 CO -0.01 0.02 0.03 0.20 -1.32 0.00 0.00 176.35 175.28 3bb1 s ASN 90 N 1.26 4.82 -0.13 3.68 0.01 -0.73 -1.09 114.94 122.76 3bb1 s ASN 90 Ca 0.04 -0.41 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 3bb1 s ASN 90 Cb -0.15 -1.84 -0.03 0.00 0.41 0.00 0.00 41.25 39.64 3bb1 s ASN 90 CO 0.02 -0.07 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.87 3bb1 s ILE 91 N 1.53 3.86 -0.29 0.60 1.01 0.27 -1.00 121.20 127.19 3bb1 s ILE 91 Ca 0.05 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3bb1 s ILE 91 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3bb1 s ILE 91 CO 0.01 0.53 0.14 -0.63 0.00 0.00 0.00 174.94 174.98 3bb1 s ILE 92 N 0.01 4.60 0.28 2.92 1.01 0.27 -0.71 121.20 129.59 3bb1 s ILE 92 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 3bb1 s ILE 92 Cb -0.13 -3.28 -0.07 0.00 0.01 0.00 0.00 42.46 38.98 3bb1 s ILE 92 CO 0.03 0.15 0.62 -0.62 0.00 0.00 0.00 174.94 175.12 3bb1 s ASP 93 N 1.63 6.60 -0.04 3.58 2.15 0.45 -1.16 116.67 129.88 3bb1 s ASP 93 Ca 0.05 0.98 -0.15 0.00 0.43 0.00 0.00 52.55 53.86 3bb1 s ASP 93 Cb -0.16 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.23 3bb1 s ASP 93 CO 0.06 -0.17 0.34 0.42 -0.17 0.00 0.00 175.17 175.65 3bb1 s THR 94 N -1.98 0.05 0.73 1.71 -4.23 -1.23 -1.89 115.64 108.80 3bb1 s THR 94 Ca 0.49 -0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 60.46 3bb1 s THR 94 Cb -0.11 -0.62 0.01 0.00 1.34 0.00 0.00 72.50 73.13 3bb1 s THR 94 CO 0.24 -0.21 0.96 -2.65 -0.54 0.00 0.00 174.62 172.42 3bb1 n PRO 95 N 1.51 0.46 -1.76 3.99 -0.02 -1.26 -4.85 135.00 133.08 3bb1 n PRO 95 Ca -0.20 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.08 3bb1 n PRO 95 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 3bb1 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bb1 n GLY 96 N 1.08 1.02 0.15 -1.23 0.00 -1.26 -4.63 105.19 100.32 3bb1 n GLY 96 Ca 0.13 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.55 3bb1 n GLY 96 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bb1 h LEU 97 N 2.69 0.00 -9.21 0.99 3.38 -1.30 -3.44 115.31 108.42 3bb1 h LEU 97 Ca -0.50 -0.01 -0.68 0.00 0.09 0.00 0.00 57.88 56.79 3bb1 h LEU 97 Cb 1.26 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 3bb1 h LEU 97 CO 0.63 0.00 -0.68 -0.63 0.09 0.00 0.00 178.44 177.85 3bb1 s ILE 98 N -3.15 3.85 -0.07 1.22 1.01 -1.22 -0.63 121.20 122.21 3bb1 s ILE 98 Ca 0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3bb1 s ILE 98 Cb 0.10 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.95 3bb1 s ILE 98 CO 0.63 0.48 -0.01 -0.70 0.00 0.00 0.00 174.94 175.35 3bb1 s GLU 99 N -1.18 0.74 5.36 2.79 2.56 0.20 -4.77 118.70 124.40 3bb1 s GLU 99 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.97 55.17 3bb1 s GLU 99 Cb -0.11 -1.02 0.00 0.00 2.00 0.00 0.00 34.13 35.00 3bb1 s GLU 99 CO 0.05 -0.27 0.00 0.41 -0.56 0.00 0.00 175.26 174.89 3bb1 n GLY 100 N 4.99 3.65 1.70 -1.50 0.00 -1.26 -1.57 105.19 111.19 3bb1 n GLY 100 Ca -0.10 0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 3bb1 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bb1 n GLY 101 N 0.00 5.86 3.13 -0.02 0.00 -1.26 -5.00 105.19 107.90 3bb1 n GLY 101 Ca 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 3bb1 n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bb1 s TYR 102 N -3.51 0.31 0.57 1.61 2.02 -0.61 -4.99 117.35 112.75 3bb1 s TYR 102 Ca 0.50 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 56.27 3bb1 s TYR 102 Cb 0.42 -0.21 -0.04 0.00 -0.40 0.00 0.00 41.96 41.72 3bb1 s TYR 102 CO 0.01 -0.41 1.20 0.42 -1.57 0.00 0.00 175.55 175.19 3bb1 s ILE 103 N -3.39 2.73 -0.56 2.71 -1.09 -1.26 0.62 121.20 120.96 3bb1 s ILE 103 Ca 0.02 0.47 -0.19 0.00 -2.23 0.00 0.00 60.65 58.71 3bb1 s ILE 103 Cb 0.04 -3.20 0.09 0.00 -1.58 0.00 0.00 42.46 37.81 3bb1 s ILE 103 CO -0.08 -0.09 0.68 0.21 -1.23 0.00 0.00 174.94 174.43 3bb1 s ASN 104 N -1.57 6.20 0.13 3.58 3.84 0.20 -4.63 114.94 122.68 3bb1 s ASN 104 Ca 0.75 -1.25 -0.12 0.00 0.21 0.00 0.00 52.86 52.45 3bb1 s ASN 104 Cb -0.30 -2.30 -0.06 0.00 -0.55 0.00 0.00 41.25 38.05 3bb1 s ASN 104 CO 0.33 -1.04 1.46 -0.78 -2.79 0.00 0.00 177.10 174.27 3bb1 h ASP 105 N 9.13 0.93 -0.22 -4.21 3.58 -1.94 -1.34 116.42 122.35 3bb1 h ASP 105 Ca -0.29 -0.47 0.06 0.00 0.42 0.00 0.00 57.03 56.75 3bb1 h ASP 105 Cb 1.09 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.81 3bb1 h ASP 105 CO 1.05 1.21 -0.24 -0.03 -2.88 0.00 0.00 179.24 178.35 3bb1 h MET 106 N 0.67 -0.25 -0.68 0.28 4.05 -1.99 0.13 114.93 117.13 3bb1 h MET 106 Ca 0.06 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3bb1 h MET 106 Cb 0.95 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.77 3bb1 h MET 106 CO 0.09 -0.17 0.42 0.00 0.23 0.00 0.00 176.91 177.48 3bb1 h ALA 107 N 0.76 0.87 -0.12 0.39 0.00 -1.83 -1.08 119.26 118.25 3bb1 h ALA 107 Ca 0.13 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3bb1 h ALA 107 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3bb1 h ALA 107 CO -0.37 0.33 -0.00 1.25 0.00 0.00 0.00 179.25 180.46 3bb1 h LEU 108 N 0.93 -0.05 -1.88 0.00 5.85 -1.01 -2.48 115.31 116.66 3bb1 h LEU 108 Ca 0.25 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 3bb1 h LEU 108 Cb -0.05 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3bb1 h LEU 108 CO -0.05 -0.01 -0.12 0.78 -0.34 0.00 0.00 178.44 178.70 3bb1 h ASN 109 N 0.03 0.00 0.13 1.25 2.35 -0.14 -0.78 115.58 118.41 3bb1 h ASN 109 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3bb1 h ASN 109 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3bb1 h ASN 109 CO -0.09 0.12 -0.06 0.40 -1.65 0.00 0.00 177.43 176.15 3bb1 h ILE 110 N 0.00 1.02 -0.77 2.81 2.04 -1.13 -1.38 117.51 120.09 3bb1 h ILE 110 Ca -0.00 -1.13 0.11 0.00 1.00 0.00 0.00 64.86 64.84 3bb1 h ILE 110 Cb 0.34 1.66 -0.13 0.00 -0.74 0.00 0.00 36.82 37.96 3bb1 h ILE 110 CO 0.02 0.25 -0.44 0.40 0.00 0.00 0.00 178.15 178.38 3bb1 h ILE 111 N -0.76 0.05 0.21 -0.67 2.04 -0.94 0.24 117.51 117.69 3bb1 h ILE 111 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3bb1 h ILE 111 Cb 0.54 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3bb1 h ILE 111 CO 0.03 0.00 -0.53 0.11 0.00 0.00 0.00 178.15 177.76 3bb1 h LYS 112 N -0.12 -0.79 0.00 2.37 1.57 -1.22 -1.23 116.57 117.15 3bb1 h LYS 112 Ca 0.23 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3bb1 h LYS 112 Cb 0.55 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3bb1 h LYS 112 CO -0.82 -0.53 -0.02 0.66 -0.57 0.00 0.00 179.45 178.17 3bb1 h SER 113 N -0.82 0.00 1.37 0.86 4.64 -0.63 0.22 113.55 119.19 3bb1 h SER 113 Ca -0.02 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3bb1 h SER 113 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3bb1 h SER 113 CO -0.24 0.02 -0.35 0.15 -0.87 0.00 0.00 176.83 175.55 3bb1 h PHE 114 N 0.00 0.00 0.00 4.77 3.57 0.03 -3.18 116.94 122.13 3bb1 h PHE 114 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3bb1 h PHE 114 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 3bb1 h PHE 114 CO 0.00 0.35 -0.54 1.28 -2.23 0.00 0.00 178.31 177.17 3bb1 n LEU 115 N -3.27 0.53 -4.44 0.59 4.77 0.69 -4.82 117.00 111.06 3bb1 n LEU 115 Ca 0.02 0.07 -0.56 0.00 -0.03 0.00 0.00 56.01 55.50 3bb1 n LEU 115 Cb 0.61 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 3bb1 n LEU 115 CO 0.37 0.08 1.66 -0.11 -1.33 0.00 0.00 177.39 178.06 3bb1 n LEU 116 N -1.66 1.60 0.00 2.23 7.94 -0.62 0.49 117.00 126.99 3bb1 n LEU 116 Ca 0.05 0.67 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 3bb1 n LEU 116 Cb 0.36 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 43.23 3bb1 n LEU 116 CO 0.35 -0.70 0.00 0.47 -1.11 0.00 0.00 177.39 176.40 3bb1 n ASP 117 N 7.88 -0.66 -4.86 1.96 8.00 0.20 -5.04 116.55 124.03 3bb1 n ASP 117 Ca 0.43 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.71 3bb1 n ASP 117 Cb 0.09 -0.11 0.07 0.00 -0.02 0.00 0.00 41.12 41.15 3bb1 n ASP 117 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3bb1 s LYS 118 N -0.23 2.19 -0.18 -1.24 1.02 0.18 -4.87 119.74 116.61 3bb1 s LYS 118 Ca 0.00 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.16 3bb1 s LYS 118 Cb 0.00 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 34.97 3bb1 s LYS 118 CO 0.00 -1.04 -0.05 0.99 -0.92 0.00 0.00 175.35 174.33 3bb1 s THR 119 N -2.96 1.17 -0.53 2.17 2.01 -1.26 -1.89 115.64 114.35 3bb1 s THR 119 Ca 0.61 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 3bb1 s THR 119 Cb -0.09 -1.39 0.03 0.00 0.01 0.00 0.00 72.50 71.06 3bb1 s THR 119 CO 0.41 0.05 1.01 -0.63 -0.69 0.00 0.00 174.62 174.77 3bb1 s ILE 120 N 1.59 4.31 -0.00 1.82 1.01 -0.49 -4.39 121.20 125.06 3bb1 s ILE 120 Ca -0.01 0.61 -0.13 0.00 0.00 0.00 0.00 60.65 61.12 3bb1 s ILE 120 Cb -0.16 -4.56 -0.33 0.00 0.01 0.00 0.00 42.46 37.41 3bb1 s ILE 120 CO -0.07 -1.09 0.87 0.44 0.00 0.00 0.00 174.94 175.08 3bb1 h ASP 121 N 9.30 0.74 -2.99 3.58 3.32 -1.12 -2.53 116.42 126.72 3bb1 h ASP 121 Ca -0.25 -0.90 -0.22 0.00 0.02 0.00 0.00 57.03 55.68 3bb1 h ASP 121 Cb 1.07 -0.24 -0.32 0.00 0.22 0.00 0.00 39.33 40.06 3bb1 h ASP 121 CO 1.10 1.73 -0.53 -0.69 -1.72 0.00 0.00 179.24 179.13 3bb1 s VAL 122 N -2.59 -0.31 -0.16 -1.35 1.01 -1.01 -4.71 120.40 111.28 3bb1 s VAL 122 Ca -0.12 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 3bb1 s VAL 122 Cb 0.05 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3bb1 s VAL 122 CO 0.91 0.11 0.37 -0.22 0.00 0.00 0.00 175.10 176.27 3bb1 s LEU 123 N 2.13 4.23 -0.41 3.92 2.96 -0.21 -1.45 118.68 129.85 3bb1 s LEU 123 Ca -0.01 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 54.42 3bb1 s LEU 123 Cb -0.12 -2.50 0.09 0.00 0.50 0.00 0.00 46.19 44.16 3bb1 s LEU 123 CO -0.08 0.03 0.23 -0.22 -1.32 0.00 0.00 176.35 174.98 3bb1 s LEU 124 N 0.73 5.09 -0.45 -0.68 2.96 0.28 -1.30 118.68 125.30 3bb1 s LEU 124 Ca 0.20 -1.63 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 3bb1 s LEU 124 Cb -0.14 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.65 3bb1 s LEU 124 CO 0.07 -0.52 0.69 -0.47 -1.32 0.00 0.00 176.35 174.79 3bb1 s TYR 125 N 1.34 3.03 -0.14 5.38 5.04 -0.54 -1.59 117.35 129.87 3bb1 s TYR 125 Ca 0.04 -0.04 -0.07 0.00 -2.44 0.00 0.00 57.07 54.56 3bb1 s TYR 125 Cb -0.23 -3.47 -0.04 0.00 0.35 0.00 0.00 41.96 38.57 3bb1 s TYR 125 CO 0.00 -0.93 0.10 0.08 -1.34 0.00 0.00 175.55 173.46 3bb1 s VAL 126 N 2.97 5.19 0.25 3.14 1.01 -0.73 -1.68 120.40 130.54 3bb1 s VAL 126 Ca 0.24 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 3bb1 s VAL 126 Cb -0.14 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3bb1 s VAL 126 CO 0.19 0.56 0.30 -0.62 0.00 0.00 0.00 175.10 175.53 3bb1 s ASP 127 N -0.53 0.32 0.34 3.32 -1.08 -0.53 -4.33 116.67 114.18 3bb1 s ASP 127 Ca 0.12 -1.30 -0.26 0.00 -0.52 0.00 0.00 52.55 50.59 3bb1 s ASP 127 Cb -0.12 0.50 -0.10 0.00 -1.46 0.00 0.00 42.92 41.74 3bb1 s ASP 127 CO 0.02 -1.01 0.99 -0.13 0.52 0.00 0.00 175.17 175.55 3bb1 s ARG 128 N -3.90 4.46 0.12 4.34 0.52 -1.26 -1.24 118.95 122.00 3bb1 s ARG 128 Ca 0.33 1.42 -0.09 0.00 -0.52 0.00 0.00 55.73 56.87 3bb1 s ARG 128 Cb 0.03 -2.75 -0.11 0.00 0.52 0.00 0.00 34.95 32.65 3bb1 s ARG 128 CO 0.14 0.15 1.32 1.25 0.02 0.00 0.00 175.30 178.18 3bb1 h LEU 129 N 3.01 0.79 -3.53 2.53 5.85 -1.19 -3.37 115.31 119.40 3bb1 h LEU 129 Ca -0.47 -0.54 -0.37 0.00 0.84 0.00 0.00 57.88 57.33 3bb1 h LEU 129 Cb 1.20 -0.23 -0.16 0.00 0.37 0.00 0.00 40.66 41.83 3bb1 h LEU 129 CO 0.64 1.33 0.48 -0.90 -0.34 0.00 0.00 178.44 179.65 3bb1 n ASP 130 N -3.88 6.50 -4.85 1.25 5.75 -1.26 -4.87 116.55 115.20 3bb1 n ASP 130 Ca -0.07 -3.16 -0.24 0.00 -0.01 0.00 0.00 54.79 51.32 3bb1 n ASP 130 Cb 0.77 -1.03 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 3bb1 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bb1 s ALA 131 N -2.10 3.66 -1.89 2.12 0.00 -1.26 -5.03 121.76 117.26 3bb1 s ALA 131 Ca 0.36 -1.28 0.16 0.00 0.00 0.00 0.00 51.96 51.19 3bb1 s ALA 131 Cb 0.28 -1.43 0.15 0.00 0.00 0.00 0.00 23.12 22.12 3bb1 s ALA 131 CO -0.00 0.37 1.03 0.66 0.00 0.00 0.00 175.76 177.81 3bb1 n TYR 132 N -0.85 0.06 -4.27 0.00 4.01 -1.26 -5.03 117.16 109.81 3bb1 n TYR 132 Ca -0.08 -0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.47 3bb1 n TYR 132 Cb 0.56 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.49 3bb1 n TYR 132 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bb1 s ARG 133 N -1.27 1.23 0.25 -0.72 1.81 -1.26 -5.15 118.95 113.84 3bb1 s ARG 133 Ca 0.20 -1.63 0.03 0.00 -1.72 0.00 0.00 55.73 52.61 3bb1 s ARG 133 Cb 0.13 -0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.33 3bb1 s ARG 133 CO 0.20 -0.20 0.04 0.14 -0.68 0.00 0.00 175.30 174.80 3bb1 s VAL 134 N -3.71 0.88 0.00 3.52 -7.23 -1.26 -4.97 120.40 107.63 3bb1 s VAL 134 Ca 0.30 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 3bb1 s VAL 134 Cb 0.07 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3bb1 s VAL 134 CO 0.08 -0.17 0.00 -0.90 -0.31 0.00 0.00 175.10 173.80 3bb1 n ASP 135 N -0.47 0.00 -0.47 4.85 5.68 -1.26 -5.00 116.55 119.88 3bb1 n ASP 135 Ca -0.03 0.00 0.39 0.00 -0.50 0.00 0.00 54.79 54.65 3bb1 n ASP 135 Cb 0.65 0.00 0.67 0.00 -1.14 0.00 0.00 41.12 41.30 3bb1 n ASP 135 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3bb1 h ASN 136 N 0.00 0.21 -0.93 -1.12 -0.00 -2.00 0.63 115.58 112.36 3bb1 h ASN 136 Ca 0.00 0.14 0.08 0.00 -0.00 0.00 0.00 56.30 56.51 3bb1 h ASN 136 Cb 0.00 0.13 -0.07 0.00 -0.00 0.00 0.00 38.32 38.38 3bb1 h ASN 136 CO 0.00 -0.20 0.59 0.17 -0.00 0.00 0.00 177.43 177.99 3bb1 h LEU 137 N 0.05 0.91 -0.69 0.34 -0.00 -1.94 0.16 115.31 114.14 3bb1 h LEU 137 Ca 0.85 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 58.68 3bb1 h LEU 137 Cb 2.74 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 43.21 3bb1 h LEU 137 CO -0.41 0.55 0.16 0.44 -0.00 0.00 0.00 178.44 179.18 3bb1 h ASP 138 N 1.03 1.06 -0.03 0.17 3.32 -0.12 -2.99 116.42 118.86 3bb1 h ASP 138 Ca 0.42 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3bb1 h ASP 138 Cb 0.25 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3bb1 h ASP 138 CO -0.20 1.03 0.02 0.50 -1.72 0.00 0.00 179.24 178.86 3bb1 h LYS 139 N 1.05 0.03 -0.07 3.56 3.64 -1.14 -2.90 116.57 120.74 3bb1 h LYS 139 Ca 0.22 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 3bb1 h LYS 139 Cb 0.39 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 3bb1 h LYS 139 CO 0.00 0.02 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.81 3bb1 h LEU 140 N 0.03 -1.01 -0.71 5.20 3.38 -0.72 -0.32 115.31 121.16 3bb1 h LEU 140 Ca 0.01 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.28 3bb1 h LEU 140 Cb -0.00 0.42 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 3bb1 h LEU 140 CO -0.00 -0.38 0.05 0.58 0.09 0.00 0.00 178.44 178.78 3bb1 h VAL 141 N -0.44 0.42 -0.13 1.22 2.07 -1.47 0.50 116.25 118.42 3bb1 h VAL 141 Ca 0.08 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 3bb1 h VAL 141 Cb 0.56 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3bb1 h VAL 141 CO -0.32 0.03 -0.20 0.00 0.02 0.00 0.00 177.57 177.10 3bb1 h ALA 142 N 1.64 1.42 0.08 1.67 0.00 -1.27 -0.89 119.26 121.92 3bb1 h ALA 142 Ca 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bb1 h ALA 142 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bb1 h ALA 142 CO -0.59 0.41 -0.04 -0.22 0.00 0.00 0.00 179.25 178.81 3bb1 h LYS 143 N 0.21 -0.11 -0.68 0.00 3.64 0.89 -2.65 116.57 117.87 3bb1 h LYS 143 Ca 0.04 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3bb1 h LYS 143 Cb 0.48 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 3bb1 h LYS 143 CO 0.03 0.20 0.40 0.00 -2.27 0.00 0.00 179.45 177.80 3bb1 h ALA 144 N 0.47 0.90 -0.25 5.00 0.00 0.19 -2.11 119.26 123.46 3bb1 h ALA 144 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bb1 h ALA 144 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3bb1 h ALA 144 CO 0.02 0.11 0.16 0.82 0.00 0.00 0.00 179.25 180.36 3bb1 h ILE 145 N 0.75 1.06 -0.01 0.00 2.04 -1.20 -2.27 117.51 117.88 3bb1 h ILE 145 Ca 0.29 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 3bb1 h ILE 145 Cb 0.12 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3bb1 h ILE 145 CO -0.15 0.06 -0.35 0.74 0.00 0.00 0.00 178.15 178.45 3bb1 h THR 146 N 0.33 1.25 0.13 -0.27 2.02 -1.21 -0.73 112.91 114.43 3bb1 h THR 146 Ca 0.09 -1.20 -0.31 0.00 0.77 0.00 0.00 66.41 65.77 3bb1 h THR 146 Cb -0.03 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3bb1 h THR 146 CO -0.03 0.34 -1.51 0.44 0.37 0.00 0.00 175.52 175.13 3bb1 h ASP 147 N 0.01 0.45 0.64 4.18 3.32 -1.33 -1.03 116.42 122.65 3bb1 h ASP 147 Ca -0.00 -0.59 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 3bb1 h ASP 147 Cb 0.62 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.03 3bb1 h ASP 147 CO 0.05 1.49 -0.31 0.28 -1.72 0.00 0.00 179.24 179.02 3bb1 h SER 148 N 0.08 -0.73 -0.01 6.45 0.02 -1.39 -3.41 113.55 114.56 3bb1 h SER 148 Ca -0.24 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3bb1 h SER 148 Cb 2.03 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.76 3bb1 h SER 148 CO 0.18 -0.37 0.00 0.49 -1.14 0.00 0.00 176.83 175.98 3bb1 n PHE 149 N -5.37 0.00 0.00 3.45 3.72 -0.29 -4.23 117.46 114.74 3bb1 n PHE 149 Ca -0.12 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3bb1 n PHE 149 Cb 0.36 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3bb1 n PHE 149 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bb1 n GLY 150 N 0.25 0.56 0.16 1.37 0.00 -0.39 -4.38 105.19 102.76 3bb1 n GLY 150 Ca 0.03 -1.68 0.12 0.00 0.00 0.00 0.00 46.02 44.48 3bb1 n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bb1 h LYS 151 N 0.00 0.00 -0.12 1.61 1.57 -1.91 -2.89 116.57 114.83 3bb1 h LYS 151 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3bb1 h LYS 151 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3bb1 h LYS 151 CO 0.00 0.00 -0.27 0.78 -0.57 0.00 0.00 179.45 179.39 3bb1 h GLY 152 N 0.93 0.23 1.04 3.86 0.00 -1.94 -3.01 103.07 104.19 3bb1 h GLY 152 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 47.33 47.29 3bb1 h GLY 152 CO 0.00 0.16 0.35 1.19 0.00 0.00 0.00 176.54 178.24 3bb1 h ILE 153 N 0.20 0.71 0.00 2.60 2.10 -1.71 -2.69 117.51 118.71 3bb1 h ILE 153 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.97 3bb1 h ILE 153 Cb 0.59 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 3bb1 h ILE 153 CO 0.04 0.00 0.00 -0.50 -1.08 0.00 0.00 178.15 176.61 3bb1 h TRP 154 N 0.00 0.00 0.00 2.19 4.06 -1.74 -1.37 115.95 119.08 3bb1 h TRP 154 Ca 0.22 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.17 3bb1 h TRP 154 Cb 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 3bb1 h TRP 154 CO 0.00 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 174.97 3bb1 n ASN 155 N -2.33 0.56 -0.54 -3.49 3.02 -1.01 -3.17 115.26 108.30 3bb1 n ASN 155 Ca 0.03 0.57 0.09 0.00 -0.03 0.00 0.00 54.58 55.24 3bb1 n ASN 155 Cb 0.31 -0.71 0.21 0.00 -0.61 0.00 0.00 39.78 38.97 3bb1 n ASN 155 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3bb1 n LYS 156 N -2.04 2.25 -3.91 3.52 4.76 -0.54 -4.99 118.16 117.20 3bb1 n LYS 156 Ca 0.05 -2.70 -0.33 0.00 -2.87 0.00 0.00 58.31 52.45 3bb1 n LYS 156 Cb 0.36 -1.68 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 3bb1 n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bb1 s ALA 157 N -2.79 3.93 -0.01 7.82 0.00 -1.07 -1.04 121.76 128.60 3bb1 s ALA 157 Ca 0.37 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.59 3bb1 s ALA 157 Cb 0.31 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 3bb1 s ALA 157 CO 0.06 0.74 -0.07 0.42 0.00 0.00 0.00 175.76 176.92 3bb1 s ILE 158 N -1.30 0.55 -0.24 0.00 1.01 -0.42 -4.21 121.20 116.59 3bb1 s ILE 158 Ca 0.26 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.54 3bb1 s ILE 158 Cb -0.13 -0.48 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 3bb1 s ILE 158 CO 0.18 0.17 0.15 -0.69 0.00 0.00 0.00 174.94 174.74 3bb1 s VAL 159 N -0.00 5.26 -0.19 2.92 1.01 0.60 -1.47 120.40 128.53 3bb1 s VAL 159 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 3bb1 s VAL 159 Cb -0.05 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 3bb1 s VAL 159 CO -0.00 0.35 -0.11 0.00 0.00 0.00 0.00 175.10 175.33 3bb1 s ALA 160 N 1.07 2.61 -0.26 5.51 0.00 -0.68 -0.93 121.76 129.09 3bb1 s ALA 160 Ca 0.07 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 3bb1 s ALA 160 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3bb1 s ALA 160 CO 0.04 -0.27 0.13 -0.51 0.00 0.00 0.00 175.76 175.16 3bb1 s LEU 161 N 1.19 3.75 0.00 0.00 1.43 -0.79 -1.46 118.68 122.80 3bb1 s LEU 161 Ca 0.02 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3bb1 s LEU 161 Cb -0.14 -2.02 0.10 0.00 0.03 0.00 0.00 46.19 44.15 3bb1 s LEU 161 CO -0.04 -0.02 0.67 0.35 0.23 0.00 0.00 176.35 177.53 3bb1 n THR 162 N 4.86 0.00 -3.89 5.49 -2.24 -0.37 -0.09 114.28 118.04 3bb1 n THR 162 Ca -0.15 -1.08 -0.31 0.00 -2.27 0.00 0.00 64.05 60.24 3bb1 n THR 162 Cb 0.52 -1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 3bb1 n THR 162 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bb1 n HIS 163 N -2.34 -1.78 0.79 4.78 8.25 -1.11 -0.73 115.22 123.08 3bb1 n HIS 163 Ca 0.11 0.67 0.08 0.00 -0.26 0.00 0.00 57.72 58.33 3bb1 n HIS 163 Cb 0.40 -2.89 0.42 0.00 1.12 0.00 0.00 29.99 29.04 3bb1 n HIS 163 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bb1 n ALA 164 N -4.05 1.92 -0.46 -1.41 0.00 -0.90 -2.33 120.51 113.28 3bb1 n ALA 164 Ca 0.05 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.29 3bb1 n ALA 164 Cb 0.50 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.72 3bb1 n ALA 164 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3bb1 n GLN 165 N -1.29 1.58 -2.71 0.00 -0.06 -1.26 -4.53 117.38 109.11 3bb1 n GLN 165 Ca 0.08 -1.21 -0.34 0.00 -2.00 0.00 0.00 57.00 53.53 3bb1 n GLN 165 Cb 0.14 -1.47 -0.06 0.00 -4.06 0.00 0.00 30.24 24.79 3bb1 n GLN 165 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 3bb1 s PHE 166 N -1.38 3.28 -0.14 3.69 5.36 -0.98 -5.06 117.98 122.75 3bb1 s PHE 166 Ca 0.23 1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 57.83 3bb1 s PHE 166 Cb 0.19 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 39.90 3bb1 s PHE 166 CO 0.01 -0.32 -0.12 -1.54 -1.46 0.00 0.00 175.22 171.80 3bb1 s SER 167 N -1.95 4.07 1.22 6.13 1.04 -1.26 -4.92 113.70 118.03 3bb1 s SER 167 Ca 0.61 -0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.57 3bb1 s SER 167 Cb -0.14 -1.63 0.29 0.00 0.10 0.00 0.00 66.02 64.64 3bb1 s SER 167 CO 0.18 0.15 0.87 -2.65 0.98 0.00 0.00 173.24 172.78 3bb1 n PRO 168 N 3.63 -2.80 0.00 4.02 -0.02 -1.26 -5.06 135.00 133.51 3bb1 n PRO 168 Ca -0.18 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.50 3bb1 n PRO 168 Cb 0.52 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 3bb1 n PRO 168 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3bb1 n PRO 169 N -4.78 0.35 0.00 0.52 -0.02 -1.26 -4.58 135.00 125.23 3bb1 n PRO 169 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3bb1 n PRO 169 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3bb1 n PRO 169 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3bb1 n ASP 170 N -1.88 0.00 -0.20 2.55 5.68 -1.26 -0.82 116.55 120.62 3bb1 n ASP 170 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 3bb1 n ASP 170 Cb 0.00 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3bb1 n ASP 170 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bb1 n GLY 171 N 0.00 0.23 3.67 6.12 0.00 -1.26 -4.91 105.19 109.04 3bb1 n GLY 171 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 3bb1 n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bb1 n LEU 172 N -0.29 3.17 -4.56 0.99 4.77 -0.00 -4.94 117.00 116.14 3bb1 n LEU 172 Ca -0.02 1.02 -0.29 0.00 -0.03 0.00 0.00 56.01 56.69 3bb1 n LEU 172 Cb 0.46 -1.37 0.22 0.00 -2.33 0.00 0.00 43.42 40.41 3bb1 n LEU 172 CO 0.04 -0.21 0.57 -2.16 -1.33 0.00 0.00 177.39 174.30 3bb1 s PRO 173 N 2.77 -0.25 0.22 3.23 0.04 -1.26 -4.47 135.00 135.28 3bb1 s PRO 173 Ca 0.88 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.88 3bb1 s PRO 173 Cb -0.72 -1.62 0.21 0.00 0.04 0.00 0.00 34.50 32.41 3bb1 s PRO 173 CO 0.47 -3.32 1.62 -0.92 0.04 0.00 0.00 177.00 174.90 3bb1 h TYR 174 N -2.34 0.78 -0.03 0.56 3.20 -1.95 -2.68 116.97 114.52 3bb1 h TYR 174 Ca -0.56 -0.19 -0.07 0.00 3.14 0.00 0.00 58.73 61.05 3bb1 h TYR 174 Cb 1.31 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.41 3bb1 h TYR 174 CO 0.33 0.89 -0.26 -0.44 -1.64 0.00 0.00 178.16 177.04 3bb1 h ASP 175 N 0.58 0.28 -0.30 -2.11 5.19 -1.96 -1.60 116.42 116.50 3bb1 h ASP 175 Ca 0.07 -0.71 0.07 0.00 -0.62 0.00 0.00 57.03 55.84 3bb1 h ASP 175 Cb 0.79 -0.08 -0.07 0.00 0.18 0.00 0.00 39.33 40.14 3bb1 h ASP 175 CO 0.06 0.95 -0.20 -0.08 -3.12 0.00 0.00 179.24 176.85 3bb1 h GLU 176 N -0.36 -0.16 0.07 3.56 4.81 -1.93 1.18 114.58 121.74 3bb1 h GLU 176 Ca -0.03 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3bb1 h GLU 176 Cb 0.96 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3bb1 h GLU 176 CO 0.05 -0.11 -0.13 0.35 -0.73 0.00 0.00 179.01 178.44 3bb1 h PHE 177 N -0.17 -0.34 -0.38 0.92 3.57 -1.49 0.10 116.94 119.15 3bb1 h PHE 177 Ca 0.16 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3bb1 h PHE 177 Cb 0.42 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 3bb1 h PHE 177 CO -0.39 -0.20 0.03 0.35 -2.23 0.00 0.00 178.31 175.87 3bb1 h PHE 178 N -0.26 0.03 -0.64 0.41 3.57 -0.93 -1.79 116.94 117.34 3bb1 h PHE 178 Ca 0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3bb1 h PHE 178 Cb 0.28 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3bb1 h PHE 178 CO -0.15 -0.04 0.13 1.03 -2.23 0.00 0.00 178.31 177.04 3bb1 h SER 179 N 0.14 0.99 -0.41 0.41 0.87 0.20 -1.17 113.55 114.58 3bb1 h SER 179 Ca 0.19 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 3bb1 h SER 179 Cb 0.25 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3bb1 h SER 179 CO -0.29 0.99 -0.16 0.11 -0.53 0.00 0.00 176.83 176.95 3bb1 h LYS 180 N 0.96 0.89 -0.09 2.24 1.57 -0.61 -2.91 116.57 118.62 3bb1 h LYS 180 Ca 0.20 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 3bb1 h LYS 180 Cb 0.40 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3bb1 h LYS 180 CO 0.01 0.99 -0.68 -0.09 -0.57 0.00 0.00 179.45 179.10 3bb1 h ARG 181 N 0.79 0.38 -0.15 3.15 2.43 -1.18 -1.56 114.38 118.24 3bb1 h ARG 181 Ca 0.12 -0.29 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3bb1 h ARG 181 Cb 0.69 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3bb1 h ARG 181 CO 0.05 0.92 0.01 0.77 -1.51 0.00 0.00 179.97 180.21 3bb1 h SER 182 N 0.27 -0.04 -0.55 -3.80 0.02 -1.17 -2.04 113.55 106.24 3bb1 h SER 182 Ca -0.02 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3bb1 h SER 182 Cb 1.24 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 3bb1 h SER 182 CO 0.12 0.00 0.13 -0.33 -1.14 0.00 0.00 176.83 175.61 3bb1 h GLU 183 N 0.06 0.88 -0.87 3.45 4.39 -1.48 0.20 114.58 121.21 3bb1 h GLU 183 Ca 0.07 -0.22 0.18 0.00 0.34 0.00 0.00 59.36 59.73 3bb1 h GLU 183 Cb 0.08 -0.11 -0.11 0.00 -0.10 0.00 0.00 28.75 28.50 3bb1 h GLU 183 CO -0.11 0.83 0.42 0.00 -1.16 0.00 0.00 179.01 179.00 3bb1 h ALA 184 N 1.01 1.35 0.07 3.43 0.00 -0.93 0.35 119.26 124.54 3bb1 h ALA 184 Ca 0.17 0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 3bb1 h ALA 184 Cb 0.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3bb1 h ALA 184 CO 0.00 -0.20 -1.08 1.25 0.00 0.00 0.00 179.25 179.22 3bb1 h LEU 185 N 0.53 0.23 -0.72 0.00 5.85 -1.13 -3.07 115.31 117.00 3bb1 h LEU 185 Ca 0.51 -0.81 0.09 0.00 0.84 0.00 0.00 57.88 58.51 3bb1 h LEU 185 Cb 0.84 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 3bb1 h LEU 185 CO -0.44 1.46 0.36 -0.07 -0.34 0.00 0.00 178.44 179.42 3bb1 h LEU 186 N -0.60 0.48 -0.23 2.25 3.38 -0.27 0.44 115.31 120.77 3bb1 h LEU 186 Ca -0.25 0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.81 3bb1 h LEU 186 Cb 1.51 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 3bb1 h LEU 186 CO -0.01 0.28 0.01 1.56 0.09 0.00 0.00 178.44 180.37 3bb1 h GLN 187 N 0.62 0.09 0.00 1.13 1.08 -0.38 -1.02 115.11 116.63 3bb1 h GLN 187 Ca 0.35 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.40 3bb1 h GLN 187 Cb 0.36 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3bb1 h GLN 187 CO -0.26 0.06 -0.67 -0.24 -0.95 0.00 0.00 178.83 176.76 3bb1 h VAL 188 N 0.09 1.26 -0.08 -0.54 3.04 -1.30 0.19 116.25 118.92 3bb1 h VAL 188 Ca 0.11 -2.49 -0.06 0.00 -1.01 0.00 0.00 66.70 63.24 3bb1 h VAL 188 Cb 0.12 2.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 3bb1 h VAL 188 CO -0.17 0.66 -0.20 -0.37 -1.01 0.00 0.00 177.57 176.48 3bb1 h VAL 189 N 0.00 1.42 -1.01 1.51 -1.51 -0.88 -0.65 116.25 115.14 3bb1 h VAL 189 Ca -0.01 -1.54 0.24 0.00 -1.23 0.00 0.00 66.70 64.16 3bb1 h VAL 189 Cb 1.38 2.23 -0.09 0.00 -2.13 0.00 0.00 31.29 32.67 3bb1 h VAL 189 CO 0.09 0.44 0.64 0.03 -1.23 0.00 0.00 177.57 177.53 3bb1 h ARG 190 N -0.21 0.48 0.60 5.19 3.08 -1.08 0.15 114.38 122.58 3bb1 h ARG 190 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3bb1 h ARG 190 Cb 0.81 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.75 3bb1 h ARG 190 CO 0.04 0.32 -0.29 1.03 -1.07 0.00 0.00 179.97 180.00 3bb1 h SER 191 N 0.50 -0.68 0.01 7.04 0.87 -0.80 0.87 113.55 121.36 3bb1 h SER 191 Ca 0.57 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.16 3bb1 h SER 191 Cb 1.29 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.42 3bb1 h SER 191 CO -0.31 -0.32 -0.01 1.23 -0.53 0.00 0.00 176.83 176.89 3bb1 h GLY 192 N -1.13 0.00 1.28 5.77 0.00 -0.48 0.17 103.07 108.69 3bb1 h GLY 192 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3bb1 h GLY 192 CO 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 176.25 3bb1 n ALA 193 N -2.42 3.06 -2.80 3.60 0.00 0.45 -3.23 120.51 119.17 3bb1 n ALA 193 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 3bb1 n ALA 193 Cb 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3bb1 n ALA 193 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bb1 n SER 194 N -1.75 -7.88 -0.45 0.00 7.64 0.60 -4.90 113.62 106.88 3bb1 n SER 194 Ca 0.05 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3bb1 n SER 194 Cb 0.38 -4.98 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 3bb1 n SER 194 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bb1 n LEU 195 N 0.59 0.00 -0.11 -3.43 4.32 0.21 -5.01 117.00 113.58 3bb1 n LEU 195 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.87 3bb1 n LEU 195 Cb 0.13 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 41.80 3bb1 n LEU 195 CO 0.42 0.00 -1.20 0.00 -1.22 0.00 0.00 177.39 175.39 3bb1 n ALA 201 N -3.00 1.52 -0.24 -1.18 0.00 -1.26 -5.05 120.51 111.30 3bb1 n ALA 201 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.36 3bb1 n ALA 201 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3bb1 n ALA 201 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3bb1 n SER 202 N -2.99 0.00 0.00 0.00 3.41 -1.26 -4.76 113.62 108.02 3bb1 n SER 202 Ca -0.37 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3bb1 n SER 202 Cb 1.00 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 3bb1 n SER 202 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3bb1 n ASP 203 N -2.17 0.00 -4.20 4.04 8.00 -1.26 -5.03 116.55 115.93 3bb1 n ASP 203 Ca 0.00 0.54 -0.34 0.00 0.71 0.00 0.00 54.79 55.70 3bb1 n ASP 203 Cb 0.00 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 3bb1 n ASP 203 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3bb1 s ILE 204 N -1.14 2.60 0.44 0.53 2.07 -1.26 -5.07 121.20 119.36 3bb1 s ILE 204 Ca 0.00 -0.76 -0.25 0.00 -1.41 0.00 0.00 60.65 58.23 3bb1 s ILE 204 Cb 0.00 -2.14 -0.08 0.00 0.13 0.00 0.00 42.46 40.38 3bb1 s ILE 204 CO 0.00 0.49 1.30 -2.84 -1.91 0.00 0.00 174.94 171.98 3bb1 s PRO 205 N 1.35 3.81 -0.19 3.50 0.02 -1.26 -4.77 135.00 137.46 3bb1 s PRO 205 Ca 0.05 2.12 -0.01 0.00 0.02 0.00 0.00 61.00 63.18 3bb1 s PRO 205 Cb -0.14 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.76 3bb1 s PRO 205 CO -0.09 -0.62 -0.13 0.08 -0.33 0.00 0.00 177.00 175.91 3bb1 s VAL 206 N -1.31 2.67 0.29 3.83 1.01 -1.26 -0.29 120.40 125.35 3bb1 s VAL 206 Ca 0.60 -0.74 0.10 0.00 0.00 0.00 0.00 61.98 61.94 3bb1 s VAL 206 Cb -0.37 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3bb1 s VAL 206 CO 0.47 0.49 -0.04 0.68 0.00 0.00 0.00 175.10 176.70 3bb1 s VAL 207 N 1.25 2.96 0.16 2.92 -7.23 -0.10 -4.98 120.40 115.38 3bb1 s VAL 207 Ca 0.03 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.24 3bb1 s VAL 207 Cb -0.14 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 3bb1 s VAL 207 CO -0.07 -0.32 -0.06 -0.76 -0.31 0.00 0.00 175.10 173.59 3bb1 s LEU 208 N -3.66 3.12 -0.09 1.32 1.43 -1.26 -1.88 118.68 117.66 3bb1 s LEU 208 Ca 0.32 -0.47 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3bb1 s LEU 208 Cb -0.04 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.41 3bb1 s LEU 208 CO 0.19 0.11 0.20 -0.63 0.23 0.00 0.00 176.35 176.45 3bb1 s ILE 209 N -1.63 -0.14 -0.46 -0.59 1.01 0.88 -4.86 121.20 115.42 3bb1 s ILE 209 Ca 0.25 0.21 0.03 0.00 0.00 0.00 0.00 60.65 61.15 3bb1 s ILE 209 Cb -0.09 -0.33 0.12 0.00 0.01 0.00 0.00 42.46 42.16 3bb1 s ILE 209 CO 0.16 0.09 0.19 -0.70 0.00 0.00 0.00 174.94 174.68 3bb1 s GLU 210 N 1.57 1.84 0.00 2.79 2.56 -1.26 -2.11 118.70 124.08 3bb1 s GLU 210 Ca -0.06 -2.32 0.00 0.00 0.00 0.00 0.00 54.97 52.59 3bb1 s GLU 210 Cb -0.11 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.70 3bb1 s GLU 210 CO -0.07 -1.05 0.52 0.09 -0.56 0.00 0.00 175.26 174.18 3bb1 n ASN 211 N 3.60 0.48 -0.18 -1.70 3.02 -1.26 -4.78 115.26 114.44 3bb1 n ASN 211 Ca 0.05 -1.51 -0.03 0.00 -0.03 0.00 0.00 54.58 53.06 3bb1 n ASN 211 Cb 0.36 -0.24 0.04 0.00 -0.61 0.00 0.00 39.78 39.33 3bb1 n ASN 211 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3bb1 h SER 212 N 0.16 -0.73 0.00 6.41 0.87 -1.98 -3.45 113.55 114.83 3bb1 h SER 212 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3bb1 h SER 212 Cb 0.24 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3bb1 h SER 212 CO 0.00 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 176.67 3bb1 n GLY 213 N -1.42 -1.41 3.95 5.77 0.00 -1.26 -5.09 105.19 105.73 3bb1 n GLY 213 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 3bb1 n GLY 213 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bb1 s ARG 214 N -1.61 2.88 0.00 1.61 3.52 -1.26 -4.93 118.95 119.16 3bb1 s ARG 214 Ca 0.00 -1.20 0.00 0.00 -0.13 0.00 0.00 55.73 54.40 3bb1 s ARG 214 Cb 0.00 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 3bb1 s ARG 214 CO 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 175.30 174.43 3bb1 s ASN 216 N 0.00 4.46 0.00 0.00 6.03 -1.23 -4.82 114.94 119.38 3bb1 s ASN 216 Ca 0.00 -1.79 0.00 0.00 -1.03 0.00 0.00 52.86 50.04 3bb1 s ASN 216 Cb 0.00 -1.43 0.00 0.00 -3.03 0.00 0.00 41.25 36.79 3bb1 s ASN 216 CO 0.00 -0.33 0.00 -1.20 -2.03 0.00 0.00 177.10 173.54 3bb1 n SER 220 N 4.44 0.00 -0.11 3.54 7.64 -1.26 -4.01 113.62 123.86 3bb1 n SER 220 Ca -0.03 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.67 3bb1 n SER 220 Cb 0.42 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 3bb1 n SER 220 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3bb1 n ASP 221 N 0.00 2.07 -3.88 6.43 2.03 -1.26 -4.78 116.55 117.17 3bb1 n ASP 221 Ca 0.00 0.03 -0.30 0.00 0.52 0.00 0.00 54.79 55.05 3bb1 n ASP 221 Cb 0.00 -0.45 0.26 0.00 -0.72 0.00 0.00 41.12 40.21 3bb1 n ASP 221 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3bb1 s GLU 222 N -2.41 -1.81 -0.37 -0.67 2.56 -1.26 -4.83 118.70 109.91 3bb1 s GLU 222 Ca -0.29 0.26 -0.12 0.00 0.00 0.00 0.00 54.97 54.82 3bb1 s GLU 222 Cb 0.09 -1.50 0.02 0.00 2.00 0.00 0.00 34.13 34.74 3bb1 s GLU 222 CO 0.45 -4.17 0.22 -1.59 -0.56 0.00 0.00 175.26 169.60 3bb1 s LYS 223 N -5.01 3.00 0.40 4.30 -2.85 -1.26 -4.93 119.74 113.39 3bb1 s LYS 223 Ca 0.69 -0.97 -0.11 0.00 -1.00 0.00 0.00 55.97 54.58 3bb1 s LYS 223 Cb -0.15 -3.75 -0.07 0.00 -2.06 0.00 0.00 37.83 31.79 3bb1 s LYS 223 CO 0.59 -0.64 0.78 0.54 0.10 0.00 0.00 175.35 176.72 3bb1 s VAL 224 N 1.60 4.76 0.52 1.79 0.11 -1.26 -3.80 120.40 124.13 3bb1 s VAL 224 Ca 0.03 0.70 0.03 0.00 -2.93 0.00 0.00 61.98 59.81 3bb1 s VAL 224 Cb -0.19 -3.71 0.03 0.00 -1.53 0.00 0.00 36.38 30.98 3bb1 s VAL 224 CO 0.08 -0.48 0.73 -0.76 -3.33 0.00 0.00 175.10 171.34 3bb1 s LEU 225 N -3.73 3.36 0.00 2.54 1.43 -0.13 -3.50 118.68 118.65 3bb1 s LEU 225 Ca 0.52 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3bb1 s LEU 225 Cb -0.10 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3bb1 s LEU 225 CO 0.29 -1.05 0.48 -2.65 0.23 0.00 0.00 176.35 173.65 3bb1 n PRO 226 N -2.24 0.67 -0.03 1.29 -0.02 -1.26 -1.23 135.00 132.18 3bb1 n PRO 226 Ca 0.08 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 3bb1 n PRO 226 Cb 0.59 -1.20 0.03 0.00 -0.02 0.00 0.00 33.50 32.91 3bb1 n PRO 226 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bb1 n ASN 227 N -0.11 2.02 0.00 2.55 0.23 -1.26 -5.01 115.26 113.67 3bb1 n ASN 227 Ca 0.00 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 3bb1 n ASN 227 Cb 0.10 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 3bb1 n ASN 227 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bb1 n GLY 228 N -0.18 3.05 3.74 4.83 0.00 -0.37 -5.07 105.19 111.19 3bb1 n GLY 228 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3bb1 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bb1 s ILE 229 N -2.78 4.01 -0.47 -0.61 1.01 -1.26 -4.70 121.20 116.40 3bb1 s ILE 229 Ca 0.00 1.73 -0.25 0.00 0.00 0.00 0.00 60.65 62.14 3bb1 s ILE 229 Cb 0.00 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.39 3bb1 s ILE 229 CO 0.00 0.30 0.89 0.00 0.00 0.00 0.00 174.94 176.13 3bb1 s ALA 230 N -0.23 3.24 0.09 9.38 0.00 -1.26 -0.95 121.76 132.02 3bb1 s ALA 230 Ca 0.48 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 3bb1 s ALA 230 Cb -0.28 -3.61 -0.21 0.00 0.00 0.00 0.00 23.12 19.02 3bb1 s ALA 230 CO 0.34 -2.07 1.20 0.11 0.00 0.00 0.00 175.76 175.33 3bb1 h TRP 231 N 9.09 0.76 0.17 0.00 5.08 -1.89 -2.30 115.95 126.86 3bb1 h TRP 231 Ca -0.24 -0.46 0.01 0.00 1.08 0.00 0.00 58.89 59.27 3bb1 h TRP 231 Cb 1.08 -0.07 -0.02 0.00 -3.00 0.00 0.00 29.16 27.15 3bb1 h TRP 231 CO 0.86 1.31 -0.19 0.82 -1.28 0.00 0.00 178.44 179.95 3bb1 h ILE 232 N 0.23 0.58 -0.40 0.12 2.04 -1.90 0.93 117.51 119.10 3bb1 h ILE 232 Ca -0.13 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.80 3bb1 h ILE 232 Cb 1.78 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 3bb1 h ILE 232 CO 0.20 0.00 -0.01 -0.65 0.00 0.00 0.00 178.15 177.69 3bb1 h PRO 233 N -0.40 0.09 -0.67 2.37 0.11 -1.92 -1.85 132.00 129.73 3bb1 h PRO 233 Ca 0.01 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.18 3bb1 h PRO 233 Cb 0.39 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.44 3bb1 h PRO 233 CO -0.06 0.06 0.44 1.25 -0.21 0.00 0.00 178.00 179.48 3bb1 h HIS 234 N 0.09 0.66 0.00 0.65 2.76 -0.50 0.94 115.15 119.75 3bb1 h HIS 234 Ca 0.19 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 3bb1 h HIS 234 Cb 0.28 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.03 3bb1 h HIS 234 CO -0.27 0.34 -0.25 1.25 -1.30 0.00 0.00 177.93 177.70 3bb1 h LEU 235 N 0.65 0.21 -1.38 0.26 5.85 0.11 -0.55 115.31 120.45 3bb1 h LEU 235 Ca 0.29 -0.79 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3bb1 h LEU 235 Cb 0.31 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3bb1 h LEU 235 CO -0.09 0.98 0.15 0.58 -0.34 0.00 0.00 178.44 179.71 3bb1 h VAL 236 N -0.53 1.16 -0.04 1.05 2.07 -1.08 0.76 116.25 119.65 3bb1 h VAL 236 Ca -0.03 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3bb1 h VAL 236 Cb 1.02 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3bb1 h VAL 236 CO 0.05 0.19 0.02 -0.61 0.02 0.00 0.00 177.57 177.24 3bb1 h GLN 237 N 0.56 0.05 -0.54 1.57 4.15 -0.86 0.91 115.11 120.96 3bb1 h GLN 237 Ca 0.14 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 3bb1 h GLN 237 Cb 0.13 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3bb1 h GLN 237 CO -0.01 0.15 0.17 1.15 -1.93 0.00 0.00 178.83 178.35 3bb1 h THR 238 N -0.06 1.21 -0.57 2.39 2.02 -0.36 -0.32 112.91 117.23 3bb1 h THR 238 Ca 0.01 -0.73 -0.05 0.00 0.77 0.00 0.00 66.41 66.41 3bb1 h THR 238 Cb 0.11 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3bb1 h THR 238 CO -0.00 0.28 0.15 0.40 0.37 0.00 0.00 175.52 176.71 3bb1 h ILE 239 N 0.79 1.23 -0.13 3.11 2.04 0.82 -0.01 117.51 125.35 3bb1 h ILE 239 Ca 0.18 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3bb1 h ILE 239 Cb 0.23 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3bb1 h ILE 239 CO -0.01 0.31 -0.06 0.71 0.00 0.00 0.00 178.15 179.10 3bb1 h THR 240 N 0.83 1.32 -0.83 -0.27 1.35 -0.35 0.71 112.91 115.67 3bb1 h THR 240 Ca 0.18 -1.09 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 3bb1 h THR 240 Cb 0.29 1.77 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 3bb1 h THR 240 CO -0.00 0.31 0.50 -0.33 -0.25 0.00 0.00 175.52 175.75 3bb1 h GLU 241 N -0.08 1.14 0.00 4.72 5.08 -0.82 -0.17 114.58 124.44 3bb1 h GLU 241 Ca 0.03 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 3bb1 h GLU 241 Cb 0.52 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3bb1 h GLU 241 CO 0.02 0.80 -0.63 0.28 -1.00 0.00 0.00 179.01 178.48 3bb1 h VAL 242 N 1.15 1.44 0.00 3.13 2.07 -1.00 -2.80 116.25 120.23 3bb1 h VAL 242 Ca 0.30 -2.17 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 3bb1 h VAL 242 Cb -0.04 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3bb1 h VAL 242 CO -0.06 0.62 -0.19 0.00 0.02 0.00 0.00 177.57 177.96 3bb1 h ALA 243 N 1.37 1.13 -0.36 1.67 0.00 0.07 -3.28 119.26 119.86 3bb1 h ALA 243 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3bb1 h ALA 243 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3bb1 h ALA 243 CO 0.08 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.85 3bb1 n LEU 244 N -3.50 3.05 -0.01 0.00 4.77 -0.16 -4.72 117.00 116.43 3bb1 n LEU 244 Ca -0.01 -2.08 -0.18 0.00 -0.03 0.00 0.00 56.01 53.72 3bb1 n LEU 244 Cb 0.35 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 3bb1 n LEU 244 CO 0.32 0.74 0.24 -0.55 -1.33 0.00 0.00 177.39 176.81 3bb1 h ASN 245 N 2.11 0.92 0.00 -1.43 7.08 -1.56 -3.48 115.58 119.23 3bb1 h ASN 245 Ca 0.00 -0.65 0.00 0.00 -3.08 0.00 0.00 56.30 52.57 3bb1 h ASN 245 Cb 0.80 -0.27 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 3bb1 h ASN 245 CO 0.02 1.43 0.00 0.29 -2.08 0.00 0.00 177.43 177.08 3bb1 n LYS 246 N -3.95 0.00 -0.00 4.14 5.02 -1.26 -5.07 118.16 117.03 3bb1 n LYS 246 Ca -0.08 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.23 3bb1 n LYS 246 Cb 0.76 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.74 3bb1 n LYS 246 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3bb1 n SER 247 N -1.87 4.07 -3.78 4.39 2.88 -1.26 -4.67 113.62 113.38 3bb1 n SER 247 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3bb1 n SER 247 Cb 0.00 1.18 0.03 0.00 -0.75 0.00 0.00 64.21 64.67 3bb1 n SER 247 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3bb1 n GLU 248 N -1.65 0.81 -0.50 -1.46 -0.58 -1.26 -5.07 120.64 110.93 3bb1 n GLU 248 Ca -0.01 -1.95 -0.25 0.00 -0.42 0.00 0.00 57.16 54.53 3bb1 n GLU 248 Cb 0.12 -0.06 0.23 0.00 -0.57 0.00 0.00 31.44 31.15 3bb1 n GLU 248 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3bb1 n SER 249 N -2.44 -2.97 -3.96 1.62 7.64 -1.26 -4.89 113.62 107.35 3bb1 n SER 249 Ca 0.07 -0.88 -0.30 0.00 1.01 0.00 0.00 58.87 58.77 3bb1 n SER 249 Cb 0.37 -0.84 -0.16 0.00 -1.01 0.00 0.00 64.21 62.58 3bb1 n SER 249 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3bb1 s ILE 250 N -2.26 1.62 -0.51 0.44 1.09 -0.95 -4.96 121.20 115.67 3bb1 s ILE 250 Ca 0.58 -1.22 -0.28 0.00 -1.10 0.00 0.00 60.65 58.62 3bb1 s ILE 250 Cb -0.08 -1.83 0.03 0.00 -1.06 0.00 0.00 42.46 39.52 3bb1 s ILE 250 CO 0.46 -0.04 1.13 0.12 -0.10 0.00 0.00 174.94 176.52 3bb1 s PHE 251 N 1.36 2.76 -0.91 3.97 5.36 -1.26 -1.39 117.98 127.87 3bb1 s PHE 251 Ca -0.05 0.58 -0.24 0.00 -0.96 0.00 0.00 56.93 56.26 3bb1 s PHE 251 Cb -0.18 -4.42 0.01 0.00 -0.34 0.00 0.00 43.02 38.08 3bb1 s PHE 251 CO -0.06 -1.36 1.64 0.08 -1.46 0.00 0.00 175.22 174.06 3bb1 s VAL 252 N 4.54 3.69 0.81 3.12 1.01 -0.79 -4.93 120.40 127.85 3bb1 s VAL 252 Ca 0.45 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 3bb1 s VAL 252 Cb -0.07 -4.59 0.08 0.00 0.00 0.00 0.00 36.38 31.79 3bb1 s VAL 252 CO 0.29 -1.50 1.14 -1.81 0.00 0.00 0.00 175.10 173.22 3bb1 s ASP 253 N 6.15 4.51 0.53 3.32 1.01 -1.26 0.59 116.67 131.51 3bb1 s ASP 253 Ca 0.55 0.96 0.18 0.00 0.71 0.00 0.00 52.55 54.94 3bb1 s ASP 253 Cb -0.04 -1.56 1.33 0.00 1.01 0.00 0.00 42.92 43.66 3bb1 s ASP 253 CO -0.01 -1.92 2.15 0.07 0.21 0.00 0.00 175.17 175.67 3bb1 h LYS 254 N -1.06 0.00 0.00 8.23 2.10 -1.97 -3.09 116.57 120.78 3bb1 h LYS 254 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3bb1 h LYS 254 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3bb1 h LYS 254 CO 0.64 0.01 0.00 -1.71 -2.00 0.00 0.00 179.45 176.39 3bb1 n ASN 255 N -4.42 0.00 -0.19 7.07 5.15 -1.26 -3.58 115.26 118.03 3bb1 n ASN 255 Ca -0.03 0.91 0.30 0.00 -0.60 0.00 0.00 54.58 55.15 3bb1 n ASN 255 Cb 0.10 -0.41 0.72 0.00 -0.53 0.00 0.00 39.78 39.67 3bb1 n ASN 255 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 3bb1 h LEU 256 N 0.00 0.00 -0.44 1.20 -0.00 -1.87 -2.61 115.31 111.59 3bb1 h LEU 256 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 3bb1 h LEU 256 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3bb1 h LEU 256 CO 0.00 0.00 -0.09 0.16 -0.00 0.00 0.00 178.44 178.51 3bb1 h ILE 257 N 0.00 1.27 0.00 0.15 -0.00 -1.68 -2.79 117.51 114.47 3bb1 h ILE 257 Ca 0.44 -1.19 0.00 0.00 -0.00 0.00 0.00 64.86 64.11 3bb1 h ILE 257 Cb 1.88 1.14 0.00 0.00 -0.00 0.00 0.00 36.82 39.84 3bb1 h ILE 257 CO -0.00 0.41 0.00 -0.67 -0.00 0.00 0.00 178.15 177.88 3bb1 n ASP 258 N -4.29 0.00 0.00 2.16 -0.08 -0.98 -4.85 116.55 108.50 3bb1 n ASP 258 Ca -0.00 0.43 0.06 0.00 -1.51 0.00 0.00 54.79 53.77 3bb1 n ASP 258 Cb 0.37 -0.46 0.37 0.00 2.34 0.00 0.00 41.12 43.73 3bb1 n ASP 258 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93