#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnn s THR 6 N 0.00 2.19 0.25 0.58 -4.23 -1.26 -4.79 115.64 108.38 2bnn s THR 6 Ca 0.00 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 2bnn s THR 6 Cb 0.00 -3.08 0.25 0.00 1.34 0.00 0.00 72.50 71.01 2bnn s THR 6 CO 0.00 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.76 2bnn h ALA 7 N 1.74 0.97 0.00 3.99 0.00 -1.99 -1.15 119.26 122.82 2bnn h ALA 7 Ca -0.51 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2bnn h ALA 7 Cb 1.29 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2bnn h ALA 7 CO 0.59 -0.37 -0.48 0.66 0.00 0.00 0.00 179.25 179.65 2bnn h SER 8 N 0.24 0.00 0.25 0.00 4.64 -1.90 -0.55 113.55 116.23 2bnn h SER 8 Ca 0.43 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.42 2bnn h SER 8 Cb 0.76 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.89 2bnn h SER 8 CO -0.55 0.48 -1.46 0.74 -0.87 0.00 0.00 176.83 175.16 2bnn h THR 9 N 0.00 1.28 0.22 2.95 2.02 -1.71 -1.92 112.91 115.75 2bnn h THR 9 Ca -0.00 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.48 2bnn h THR 9 Cb 1.21 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 70.64 2bnn h THR 9 CO 0.06 0.81 -0.11 1.23 0.37 0.00 0.00 175.52 177.88 2bnn h GLY 10 N 0.19 -0.31 0.76 2.16 0.00 -1.21 -2.75 103.07 101.90 2bnn h GLY 10 Ca -0.25 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.23 2bnn h GLY 10 CO 0.28 -0.11 0.20 -2.75 0.00 0.00 0.00 176.54 174.16 2bnn h PHE 11 N -0.33 0.37 -0.57 5.60 3.57 -1.20 -0.94 116.94 123.44 2bnn h PHE 11 Ca -0.03 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2bnn h PHE 11 Cb 0.25 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.81 2bnn h PHE 11 CO -0.05 0.19 0.13 0.00 -2.23 0.00 0.00 178.31 176.34 2bnn h ALA 12 N 1.24 0.68 -0.16 2.41 0.00 -1.31 0.16 119.26 122.28 2bnn h ALA 12 Ca 0.19 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 2bnn h ALA 12 Cb 0.11 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bnn h ALA 12 CO -0.14 -0.29 -0.31 0.93 0.00 0.00 0.00 179.25 179.44 2bnn h GLU 13 N 0.27 0.48 -0.36 0.00 5.08 -1.16 -2.81 114.58 116.09 2bnn h GLU 13 Ca 0.30 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2bnn h GLU 13 Cb 0.42 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2bnn h GLU 13 CO -0.37 0.92 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.23 2bnn h LEU 14 N 0.11 0.76 -0.16 1.33 3.38 -0.86 -2.20 115.31 117.67 2bnn h LEU 14 Ca 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 2bnn h LEU 14 Cb 0.90 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2bnn h LEU 14 CO 0.07 0.98 0.10 0.25 0.09 0.00 0.00 178.44 179.93 2bnn h LEU 15 N 0.64 0.19 -0.45 1.67 5.85 -0.71 -0.35 115.31 122.16 2bnn h LEU 15 Ca 0.08 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2bnn h LEU 15 Cb 0.76 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2bnn h LEU 15 CO 0.06 0.17 0.28 0.50 -0.34 0.00 0.00 178.44 179.11 2bnn h LYS 16 N 0.20 0.55 0.19 1.25 3.64 -1.38 0.24 116.57 121.25 2bnn h LYS 16 Ca 0.06 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2bnn h LYS 16 Cb 0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2bnn h LYS 16 CO -0.01 0.36 -0.21 -0.44 -2.27 0.00 0.00 179.45 176.88 2bnn h ASP 17 N 0.56 -0.58 -0.03 4.20 3.32 -1.17 -1.24 116.42 121.48 2bnn h ASP 17 Ca 0.17 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2bnn h ASP 17 Cb -0.02 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2bnn h ASP 17 CO -0.07 -0.31 -0.05 -0.09 -1.72 0.00 0.00 179.24 177.00 2bnn h ARG 18 N -0.44 -0.07 -0.47 3.56 9.65 -0.87 0.41 114.38 126.14 2bnn h ARG 18 Ca 0.01 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 2bnn h ARG 18 Cb 0.43 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.96 2bnn h ARG 18 CO -0.07 -0.05 0.09 -0.09 2.80 0.00 0.00 179.97 182.66 2bnn h ARG 19 N -0.07 0.22 -0.70 0.20 2.43 -0.90 -1.36 114.38 114.20 2bnn h ARG 19 Ca 0.03 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2bnn h ARG 19 Cb 0.12 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2bnn h ARG 19 CO -0.08 0.15 0.16 0.93 -1.51 0.00 0.00 179.97 179.62 2bnn h GLU 20 N 0.23 1.14 -0.59 0.20 5.08 -0.97 -1.46 114.58 118.20 2bnn h GLU 20 Ca 0.23 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2bnn h GLU 20 Cb 0.30 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2bnn h GLU 20 CO -0.31 1.01 0.39 0.37 -1.00 0.00 0.00 179.01 179.48 2bnn h GLN 21 N 1.07 0.54 -0.67 2.33 4.15 0.80 -1.10 115.11 122.23 2bnn h GLN 21 Ca 0.22 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2bnn h GLN 21 Cb 0.39 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2bnn h GLN 21 CO 0.01 0.36 0.00 1.33 -1.93 0.00 0.00 178.83 178.60 2bnn n VAL 22 N -4.48 1.51 -1.02 2.39 0.24 -0.61 -4.97 118.33 111.40 2bnn n VAL 22 Ca 0.08 -1.13 -0.01 0.00 -2.04 0.00 0.00 64.34 61.25 2bnn n VAL 22 Cb 0.24 0.27 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2bnn n VAL 22 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2bnn n LYS 23 N 1.30 -0.70 -2.69 7.34 4.76 -0.42 -5.01 118.16 122.74 2bnn n LYS 23 Ca 0.25 0.23 -0.40 0.00 -2.87 0.00 0.00 58.31 55.52 2bnn n LYS 23 Cb 0.78 -3.79 -0.05 0.00 -1.84 0.00 0.00 35.03 30.13 2bnn n LYS 23 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2bnn s MET 24 N -0.88 4.77 0.64 1.97 -1.94 -0.59 -4.99 119.30 118.28 2bnn s MET 24 Ca 0.00 1.54 -0.02 0.00 -1.71 0.00 0.00 55.69 55.50 2bnn s MET 24 Cb 0.00 -3.29 0.06 0.00 2.01 0.00 0.00 34.83 33.61 2bnn s MET 24 CO 0.00 0.37 0.91 0.16 -0.01 0.00 0.00 175.02 176.45 2bnn s ASP 25 N -0.78 4.90 0.26 3.03 1.47 -1.26 -4.36 116.67 119.94 2bnn s ASP 25 Ca 0.44 0.09 -0.01 0.00 1.18 0.00 0.00 52.55 54.24 2bnn s ASP 25 Cb -0.26 -0.78 0.49 0.00 -0.34 0.00 0.00 42.92 42.03 2bnn s ASP 25 CO 0.33 -1.46 1.81 0.45 0.68 0.00 0.00 175.17 176.98 2bnn h HIS 26 N -0.30 0.97 -0.12 2.11 3.86 -1.98 -1.64 115.15 118.06 2bnn h HIS 26 Ca -0.42 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.85 2bnn h HIS 26 Cb 1.30 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 2bnn h HIS 26 CO 0.22 0.36 -0.07 0.00 0.86 0.00 0.00 177.93 179.30 2bnn h ALA 27 N 1.51 0.04 0.19 2.45 0.00 -1.94 0.92 119.26 122.43 2bnn h ALA 27 Ca 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 2bnn h ALA 27 Cb 0.48 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2bnn h ALA 27 CO -0.28 -0.52 -0.09 0.00 0.00 0.00 0.00 179.25 178.36 2bnn h ALA 28 N 1.04 -0.25 -0.85 0.00 0.00 -1.70 -0.57 119.26 116.93 2bnn h ALA 28 Ca 0.07 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bnn h ALA 28 Cb 0.17 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2bnn h ALA 28 CO -0.16 -0.61 0.56 1.25 0.00 0.00 0.00 179.25 180.28 2bnn h LEU 29 N -0.30 0.94 -0.86 0.00 5.85 -1.32 -2.51 115.31 117.10 2bnn h LEU 29 Ca -0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2bnn h LEU 29 Cb 0.23 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2bnn h LEU 29 CO 0.04 0.66 0.50 0.00 -0.34 0.00 0.00 178.44 179.31 2bnn h ALA 30 N 1.34 1.10 -0.49 1.25 0.00 -0.43 -2.32 119.26 119.71 2bnn h ALA 30 Ca 0.33 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.27 2bnn h ALA 30 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2bnn h ALA 30 CO -0.09 0.58 0.37 0.66 0.00 0.00 0.00 179.25 180.76 2bnn h SER 31 N 1.19 0.00 -0.03 0.00 4.64 -0.65 -2.04 113.55 116.67 2bnn h SER 31 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2bnn h SER 31 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2bnn h SER 31 CO -0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 2bnn n LEU 32 N -4.29 1.21 0.00 5.97 4.77 -0.87 -4.32 117.00 119.48 2bnn n LEU 32 Ca 0.09 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2bnn n LEU 32 Cb 0.58 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2bnn n LEU 32 CO 0.35 0.21 0.04 0.18 -1.33 0.00 0.00 177.39 176.84 2bnn n LEU 33 N -0.04 0.16 -1.83 2.23 4.77 -0.77 -4.98 117.00 116.54 2bnn n LEU 33 Ca 0.19 -0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2bnn n LEU 33 Cb 0.30 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 2bnn n LEU 33 CO 0.16 0.04 0.06 0.61 -1.33 0.00 0.00 177.39 176.93 2bnn n GLY 34 N 0.05 0.14 3.35 -0.72 0.00 -1.19 -5.05 105.19 101.77 2bnn n GLY 34 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 2bnn n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnn s GLU 35 N -5.37 1.52 0.44 1.61 0.41 -1.20 -5.12 118.70 110.99 2bnn s GLU 35 Ca 0.22 -1.85 -0.04 0.00 -0.41 0.00 0.00 54.97 52.89 2bnn s GLU 35 Cb -0.10 -0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 31.89 2bnn s GLU 35 CO 0.27 -0.33 0.71 0.95 -0.49 0.00 0.00 175.26 176.37 2bnn s THR 36 N -3.62 4.96 0.39 3.63 -4.23 -1.26 -4.44 115.64 111.07 2bnn s THR 36 Ca 0.36 0.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.99 2bnn s THR 36 Cb 0.07 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.36 2bnn s THR 36 CO 0.15 -0.75 1.98 -0.65 -0.54 0.00 0.00 174.62 174.81 2bnn h PRO 37 N 0.45 0.58 -0.31 3.99 0.11 -1.89 -2.29 132.00 132.64 2bnn h PRO 37 Ca -0.48 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 2bnn h PRO 37 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2bnn h PRO 37 CO 0.62 0.39 -0.11 1.49 -0.21 0.00 0.00 178.00 180.18 2bnn h GLU 38 N 0.60 0.52 -0.32 1.05 4.81 -1.94 -1.51 114.58 117.79 2bnn h GLU 38 Ca 0.28 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 2bnn h GLU 38 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2bnn h GLU 38 CO -0.09 0.63 -0.11 1.15 -0.73 0.00 0.00 179.01 179.86 2bnn h THR 39 N 0.48 1.28 -0.77 0.32 2.02 -1.81 -2.02 112.91 112.41 2bnn h THR 39 Ca 0.09 -1.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.05 2bnn h THR 39 Cb 0.48 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 2bnn h THR 39 CO 0.03 0.38 0.33 0.58 0.37 0.00 0.00 175.52 177.21 2bnn h VAL 40 N 0.40 1.25 -0.33 3.16 2.07 -1.35 -1.65 116.25 119.80 2bnn h VAL 40 Ca 0.08 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 2bnn h VAL 40 Cb 0.61 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2bnn h VAL 40 CO 0.04 0.32 0.16 0.00 0.02 0.00 0.00 177.57 178.10 2bnn h ALA 41 N 1.24 1.65 -0.11 1.67 0.00 -1.14 -2.35 119.26 120.23 2bnn h ALA 41 Ca 0.26 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2bnn h ALA 41 Cb 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2bnn h ALA 41 CO -0.03 0.28 -0.24 0.00 0.00 0.00 0.00 179.25 179.27 2bnn h ALA 42 N 1.71 0.18 -0.73 0.00 0.00 -0.59 -2.29 119.26 117.54 2bnn h ALA 42 Ca 0.12 -0.39 0.15 0.00 0.00 0.00 0.00 54.91 54.79 2bnn h ALA 42 Cb 0.06 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2bnn h ALA 42 CO -0.02 0.16 0.21 -1.49 0.00 0.00 0.00 179.25 178.11 2bnn h TRP 43 N -0.07 0.34 0.00 0.00 6.55 -1.11 0.62 115.95 122.27 2bnn h TRP 43 Ca 0.00 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.88 2bnn h TRP 43 Cb 0.84 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.10 2bnn h TRP 43 CO 0.11 -0.05 0.00 0.39 -1.05 0.00 0.00 178.44 177.84 2bnn n GLU 44 N -5.12 0.35 -0.45 0.49 1.02 -0.90 -1.43 120.64 114.60 2bnn n GLU 44 Ca 0.14 0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.44 2bnn n GLU 44 Cb 0.45 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.63 2bnn n GLU 44 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2bnn n ASN 45 N -1.19 3.94 0.00 1.62 5.15 0.20 -4.76 115.26 120.22 2bnn n ASN 45 Ca 0.10 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 2bnn n ASN 45 Cb 0.11 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 2bnn n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bnn n GLY 46 N -0.16 0.67 1.72 8.20 0.00 -0.52 -4.96 105.19 110.14 2bnn n GLY 46 Ca 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2bnn n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bnn n GLU 47 N -2.66 3.60 -0.19 1.61 1.02 -0.48 -4.29 120.64 119.24 2bnn n GLU 47 Ca 0.00 -2.51 0.08 0.00 -0.02 0.00 0.00 57.16 54.71 2bnn n GLU 47 Cb 0.00 -2.08 0.23 0.00 -0.02 0.00 0.00 31.44 29.58 2bnn n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bnn n GLY 48 N 0.16 0.92 0.39 0.62 0.00 -1.26 -4.55 105.19 101.46 2bnn n GLY 48 Ca 0.29 -0.48 0.21 0.00 0.00 0.00 0.00 46.02 46.04 2bnn n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bnn h GLY 49 N 5.01 0.00 -1.09 -0.02 0.00 -1.91 -1.77 103.07 103.29 2bnn h GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bnn h GLY 49 CO 0.00 0.00 -0.21 1.18 0.00 0.00 0.00 176.54 177.51 2bnn n GLU 50 N -4.04 1.63 -1.75 4.80 -0.58 -1.26 -4.96 120.64 114.48 2bnn n GLU 50 Ca 0.09 -1.26 -0.42 0.00 -0.42 0.00 0.00 57.16 55.15 2bnn n GLU 50 Cb 0.61 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 2bnn n GLU 50 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2bnn n LEU 51 N 0.42 4.39 -4.92 -4.62 4.77 -0.67 -4.98 117.00 111.39 2bnn n LEU 51 Ca 0.13 1.19 -0.27 0.00 -0.03 0.00 0.00 56.01 57.03 2bnn n LEU 51 Cb 0.48 -1.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.02 2bnn n LEU 51 CO 0.21 0.05 0.54 0.42 -1.33 0.00 0.00 177.39 177.29 2bnn s THR 52 N -0.59 3.52 0.19 -5.08 -4.23 -1.26 -4.88 115.64 103.30 2bnn s THR 52 Ca 0.59 -0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.95 2bnn s THR 52 Cb -0.50 -3.41 0.10 0.00 1.34 0.00 0.00 72.50 70.03 2bnn s THR 52 CO 0.56 -0.42 1.74 0.25 -0.54 0.00 0.00 174.62 176.21 2bnn h LEU 53 N -0.21 0.13 -0.12 4.79 5.85 -1.99 0.13 115.31 123.89 2bnn h LEU 53 Ca -0.45 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2bnn h LEU 53 Cb 1.26 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2bnn h LEU 53 CO 0.61 0.10 0.04 0.74 -0.34 0.00 0.00 178.44 179.59 2bnn h THR 54 N 0.32 0.98 -0.95 1.05 2.02 -1.99 -0.25 112.91 114.09 2bnn h THR 54 Ca 0.25 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.42 2bnn h THR 54 Cb 0.29 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 2bnn h THR 54 CO -0.27 0.02 0.63 1.56 0.37 0.00 0.00 175.52 177.82 2bnn h GLN 55 N 0.10 1.19 -0.50 6.66 4.20 -1.80 -1.80 115.11 123.16 2bnn h GLN 55 Ca 0.05 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2bnn h GLN 55 Cb 0.02 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 2bnn h GLN 55 CO -0.05 0.78 0.04 -0.07 -0.67 0.00 0.00 178.83 178.87 2bnn h LEU 56 N 1.22 0.76 -0.99 1.46 3.38 -0.30 -0.03 115.31 120.81 2bnn h LEU 56 Ca 0.37 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 2bnn h LEU 56 Cb -0.03 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2bnn h LEU 56 CO -0.11 0.80 0.45 1.23 0.09 0.00 0.00 178.44 180.90 2bnn h GLY 57 N 0.97 1.24 0.67 0.83 0.00 -0.45 -0.65 103.07 105.67 2bnn h GLY 57 Ca 0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2bnn h GLY 57 CO 0.01 0.54 -0.11 -0.09 0.00 0.00 0.00 176.54 176.89 2bnn h ARG 58 N 1.16 0.25 -0.63 4.80 2.43 -0.69 -0.81 114.38 120.89 2bnn h ARG 58 Ca 0.29 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 2bnn h ARG 58 Cb 0.04 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.52 2bnn h ARG 58 CO -0.05 0.67 0.23 0.82 -1.51 0.00 0.00 179.97 180.14 2bnn h ILE 59 N -0.16 0.75 -0.38 1.20 2.04 -0.87 -0.91 117.51 119.18 2bnn h ILE 59 Ca 0.02 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 2bnn h ILE 59 Cb 0.63 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2bnn h ILE 59 CO 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 178.15 178.21 2bnn h ALA 60 N 1.44 1.22 0.17 1.87 0.00 -1.08 -2.59 119.26 120.29 2bnn h ALA 60 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2bnn h ALA 60 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bnn h ALA 60 CO -0.33 0.51 -0.08 1.25 0.00 0.00 0.00 179.25 180.60 2bnn h HIS 61 N 0.58 -0.21 0.00 0.00 -0.00 -0.18 0.60 115.15 115.94 2bnn h HIS 61 Ca 0.11 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2bnn h HIS 61 Cb 0.44 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2bnn h HIS 61 CO 0.02 0.05 -0.11 -0.39 -0.00 0.00 0.00 177.93 177.49 2bnn h VAL 62 N -0.46 0.47 -0.57 5.26 -1.51 -1.11 0.01 116.25 118.34 2bnn h VAL 62 Ca -0.02 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2bnn h VAL 62 Cb 0.36 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2bnn h VAL 62 CO 0.04 0.11 0.00 0.18 -1.23 0.00 0.00 177.57 176.67 2bnn n LEU 63 N -3.52 4.50 -3.56 4.19 4.77 -0.99 -4.95 117.00 117.45 2bnn n LEU 63 Ca -0.01 -2.27 -0.26 0.00 -0.03 0.00 0.00 56.01 53.43 2bnn n LEU 63 Cb 0.26 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2bnn n LEU 63 CO 0.29 0.71 0.02 0.61 -1.33 0.00 0.00 177.39 177.70 2bnn n GLY 64 N 0.97 -0.49 0.00 -0.72 0.00 -0.01 -4.94 105.19 100.00 2bnn n GLY 64 Ca 0.23 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2bnn n GLY 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bnn n THR 65 N -4.33 0.00 -4.13 2.61 -1.04 0.17 -5.04 114.28 102.52 2bnn n THR 65 Ca -0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 2bnn n THR 65 Cb 0.54 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 2bnn n THR 65 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2bnn s SER 66 N -0.75 5.32 0.33 8.00 1.04 -1.26 -4.14 113.70 122.23 2bnn s SER 66 Ca 0.00 -0.24 0.10 0.00 0.48 0.00 0.00 55.95 56.29 2bnn s SER 66 Cb 0.00 -1.32 0.87 0.00 0.10 0.00 0.00 66.02 65.67 2bnn s SER 66 CO 0.00 0.04 1.76 0.40 0.98 0.00 0.00 173.24 176.42 2bnn h ILE 67 N 1.97 0.60 -0.49 -1.02 2.04 -1.91 -1.38 117.51 117.32 2bnn h ILE 67 Ca -0.48 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.26 2bnn h ILE 67 Cb 1.21 -0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 2bnn h ILE 67 CO 0.61 0.11 -0.37 1.23 0.00 0.00 0.00 178.15 179.74 2bnn h GLY 68 N 0.62 -0.32 2.00 5.37 0.00 -1.95 -1.04 103.07 107.76 2bnn h GLY 68 Ca 0.61 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.41 2bnn h GLY 68 CO -0.40 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 175.94 2bnn h ALA 69 N 0.72 1.00 -0.02 3.60 0.00 -1.65 -2.37 119.26 120.54 2bnn h ALA 69 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bnn h ALA 69 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2bnn h ALA 69 CO -0.61 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 179.77 2bnn n LEU 70 N -2.53 2.32 -4.40 0.00 4.77 -0.46 -4.89 117.00 111.80 2bnn n LEU 70 Ca -0.00 -0.91 -0.27 0.00 -0.03 0.00 0.00 56.01 54.80 2bnn n LEU 70 Cb 0.14 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 2bnn n LEU 70 CO 0.17 0.41 -0.54 0.42 -1.33 0.00 0.00 177.39 176.52 2bnn s THR 71 N -1.82 2.24 0.87 -5.08 -4.23 -0.77 -3.88 115.64 102.96 2bnn s THR 71 Ca 0.20 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 2bnn s THR 71 Cb 0.16 -2.03 0.12 0.00 1.34 0.00 0.00 72.50 72.08 2bnn s THR 71 CO 0.33 -0.08 1.11 -2.16 -0.54 0.00 0.00 174.62 173.28 2bnn s PRO 72 N -2.47 1.44 1.31 3.99 0.04 -1.26 -4.91 135.00 133.14 2bnn s PRO 72 Ca 0.18 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 2bnn s PRO 72 Cb -0.08 -1.80 0.33 0.00 0.04 0.00 0.00 34.50 32.98 2bnn s PRO 72 CO 0.08 -2.22 0.99 -1.25 0.04 0.00 0.00 177.00 174.63 2bnn s PRO 73 N -4.80 -2.08 0.46 0.56 0.04 -1.26 -4.91 135.00 123.01 2bnn s PRO 73 Ca 0.64 0.29 0.11 0.00 0.04 0.00 0.00 61.00 62.08 2bnn s PRO 73 Cb -0.20 -1.46 1.06 0.00 0.04 0.00 0.00 34.50 33.94 2bnn s PRO 73 CO 0.57 -4.36 2.10 0.00 0.04 0.00 0.00 177.00 175.36 2bnn h ALA 74 N -3.05 1.85 0.00 8.56 0.00 -1.96 -3.49 119.26 121.17 2bnn h ALA 74 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bnn h ALA 74 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bnn h ALA 74 CO 0.36 0.14 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2bnn n GLY 75 N -1.51 0.05 3.06 0.00 0.00 -1.26 -4.96 105.19 100.57 2bnn n GLY 75 Ca 0.00 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 2bnn n GLY 75 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bnn s ASN 76 N -0.58 4.53 -0.24 1.61 3.84 -1.26 -3.59 114.94 119.25 2bnn s ASN 76 Ca 0.00 -1.58 0.14 0.00 0.21 0.00 0.00 52.86 51.63 2bnn s ASN 76 Cb 0.00 -1.57 0.66 0.00 -0.55 0.00 0.00 41.25 39.78 2bnn s ASN 76 CO 0.00 -0.24 1.61 -0.90 -2.79 0.00 0.00 177.10 174.78 2bnn n ASP 77 N 4.39 4.46 -4.79 -4.21 5.68 -1.26 -4.99 116.55 115.83 2bnn n ASP 77 Ca -0.10 -3.12 -0.36 0.00 -0.50 0.00 0.00 54.79 50.71 2bnn n ASP 77 Cb 0.42 -0.64 -0.07 0.00 -1.14 0.00 0.00 41.12 39.69 2bnn n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2bnn s LEU 78 N -2.90 4.21 -0.53 -2.12 1.43 -1.26 -4.74 118.68 112.77 2bnn s LEU 78 Ca 0.49 0.32 -0.24 0.00 -1.03 0.00 0.00 54.13 53.67 2bnn s LEU 78 Cb 0.39 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2bnn s LEU 78 CO 0.11 0.30 0.89 -0.62 0.23 0.00 0.00 176.35 177.26 2bnn s ASP 79 N -0.37 6.35 -1.07 2.29 2.15 0.65 -4.45 116.67 122.22 2bnn s ASP 79 Ca 0.11 -0.34 -0.19 0.00 0.43 0.00 0.00 52.55 52.57 2bnn s ASP 79 Cb -0.12 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.11 2bnn s ASP 79 CO 0.01 -1.15 0.35 0.47 -0.17 0.00 0.00 175.17 174.69 2bnn n ASP 80 N 7.24 -1.84 0.00 -0.34 10.43 -1.26 -1.21 116.55 129.57 2bnn n ASP 80 Ca 0.01 -1.05 0.00 0.00 2.57 0.00 0.00 54.79 56.33 2bnn n ASP 80 Cb 0.47 -1.27 0.00 0.00 1.84 0.00 0.00 41.12 42.17 2bnn n ASP 80 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2bnn n GLY 81 N -2.02 1.71 3.27 0.44 0.00 -1.26 -5.04 105.19 102.29 2bnn n GLY 81 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2bnn n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bnn s VAL 82 N -2.33 1.83 0.01 1.61 1.01 -0.35 -5.00 120.40 117.18 2bnn s VAL 82 Ca 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2bnn s VAL 82 Cb 0.00 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 2bnn s VAL 82 CO 0.00 0.46 -0.18 -0.51 0.00 0.00 0.00 175.10 174.87 2bnn s ILE 83 N -0.60 1.47 0.02 2.22 2.07 -1.26 -0.25 121.20 124.87 2bnn s ILE 83 Ca 0.09 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.48 2bnn s ILE 83 Cb -0.09 -1.25 -0.02 0.00 0.13 0.00 0.00 42.46 41.23 2bnn s ILE 83 CO -0.00 0.30 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.48 2bnn s ILE 84 N -0.59 1.74 -0.09 2.00 1.01 -1.26 -5.06 121.20 118.96 2bnn s ILE 84 Ca 0.07 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.62 2bnn s ILE 84 Cb -0.08 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2bnn s ILE 84 CO 0.00 0.34 -0.13 -1.58 0.00 0.00 0.00 174.94 173.57 2bnn s GLN 85 N -0.91 1.95 0.42 2.79 0.74 -1.26 -5.05 119.66 118.35 2bnn s GLN 85 Ca 0.08 -0.47 -0.17 0.00 0.05 0.00 0.00 55.36 54.85 2bnn s GLN 85 Cb -0.09 -1.68 -0.09 0.00 1.10 0.00 0.00 33.01 32.25 2bnn s GLN 85 CO 0.01 -0.05 0.88 -1.64 -0.55 0.00 0.00 175.29 173.94 2bnn s MET 86 N 0.95 4.04 0.23 1.67 -1.94 -1.26 -4.92 119.30 118.06 2bnn s MET 86 Ca -0.08 0.88 -0.13 0.00 -1.71 0.00 0.00 55.69 54.65 2bnn s MET 86 Cb -0.15 -2.26 0.29 0.00 2.01 0.00 0.00 34.83 34.72 2bnn s MET 86 CO -0.00 -0.05 1.60 -1.35 -0.01 0.00 0.00 175.02 175.21 2bnn h PRO 87 N 1.64 -0.01 -1.06 2.03 0.11 -2.02 -1.24 132.00 131.45 2bnn h PRO 87 Ca -0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 2bnn h PRO 87 Cb 1.18 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.02 2bnn h PRO 87 CO 0.63 -0.01 0.74 -0.25 -0.21 0.00 0.00 178.00 178.89 2bnn n ASP 88 N -5.49 6.23 0.01 -2.05 8.00 -1.26 -3.61 116.55 118.39 2bnn n ASP 88 Ca 0.10 -3.61 0.11 0.00 0.71 0.00 0.00 54.79 52.10 2bnn n ASP 88 Cb 0.38 -0.93 -0.11 0.00 -0.02 0.00 0.00 41.12 40.44 2bnn n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bnn n GLU 89 N -0.81 0.49 -2.03 -1.24 1.02 -0.47 -5.03 120.64 112.57 2bnn n GLU 89 Ca 0.57 -0.10 -0.35 0.00 -0.02 0.00 0.00 57.16 57.25 2bnn n GLU 89 Cb 0.96 -1.57 0.03 0.00 -0.02 0.00 0.00 31.44 30.84 2bnn n GLU 89 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2bnn s ARG 90 N -3.37 3.02 0.13 3.49 0.52 -1.24 -5.05 118.95 116.45 2bnn s ARG 90 Ca -0.03 1.73 -0.06 0.00 -0.52 0.00 0.00 55.73 56.85 2bnn s ARG 90 Cb 0.14 -1.95 -0.06 0.00 0.52 0.00 0.00 34.95 33.60 2bnn s ARG 90 CO 0.87 -1.14 0.38 -1.25 0.02 0.00 0.00 175.30 174.18 2bnn s PRO 91 N -3.41 3.64 -0.23 3.54 0.05 -1.26 -4.98 135.00 132.36 2bnn s PRO 91 Ca 0.75 -0.03 -0.08 0.00 0.05 0.00 0.00 61.00 61.69 2bnn s PRO 91 Cb -0.28 -2.87 -0.04 0.00 0.05 0.00 0.00 34.50 31.37 2bnn s PRO 91 CO 0.33 0.48 0.08 0.42 0.05 0.00 0.00 177.00 178.36 2bnn s ILE 92 N -1.62 4.64 0.18 0.56 1.01 -1.26 -3.28 121.20 121.44 2bnn s ILE 92 Ca 0.40 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.05 2bnn s ILE 92 Cb -0.12 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2bnn s ILE 92 CO 0.23 0.38 -0.15 -0.76 0.00 0.00 0.00 174.94 174.63 2bnn s LEU 93 N 1.12 2.50 0.00 2.97 1.43 -1.07 -4.95 118.68 120.67 2bnn s LEU 93 Ca 0.05 -0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2bnn s LEU 93 Cb -0.14 -0.69 0.10 0.00 0.03 0.00 0.00 46.19 45.49 2bnn s LEU 93 CO 0.04 -0.13 0.63 0.29 0.23 0.00 0.00 176.35 177.41 2bnn n LYS 94 N -0.05 -0.08 0.00 1.70 4.01 -1.26 -1.57 118.16 120.90 2bnn n LYS 94 Ca -0.11 -1.46 0.00 0.00 -0.51 0.00 0.00 58.31 56.23 2bnn n LYS 94 Cb 0.59 -0.50 0.00 0.00 -0.51 0.00 0.00 35.03 34.61 2bnn n LYS 94 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2bnn n GLY 95 N 0.38 -1.18 3.38 0.72 0.00 -1.02 -4.74 105.19 102.74 2bnn n GLY 95 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2bnn n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bnn n VAL 96 N 0.00 4.12 -3.66 1.61 0.31 -1.26 -4.66 118.33 114.80 2bnn n VAL 96 Ca 0.00 -4.40 -0.14 0.00 -0.01 0.00 0.00 64.34 59.80 2bnn n VAL 96 Cb 0.00 -2.43 -0.07 0.00 -0.91 0.00 0.00 33.84 30.44 2bnn n VAL 96 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2bnn s TYR 102 N 2.32 -0.31 0.19 3.52 4.12 -1.26 -5.09 117.35 120.84 2bnn s TYR 102 Ca 0.46 0.36 0.07 0.00 0.02 0.00 0.00 57.07 57.98 2bnn s TYR 102 Cb 0.02 0.23 -0.04 0.00 -1.52 0.00 0.00 41.96 40.65 2bnn s TYR 102 CO 0.02 -0.55 0.05 0.71 0.02 0.00 0.00 175.55 175.80 2bnn s TYR 103 N -2.11 2.93 -0.14 2.71 1.51 -1.26 -1.89 117.35 119.10 2bnn s TYR 103 Ca -0.07 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2bnn s TYR 103 Cb -0.02 -1.39 0.02 0.00 -0.11 0.00 0.00 41.96 40.46 2bnn s TYR 103 CO 0.00 0.53 -0.14 0.08 -1.11 0.00 0.00 175.55 174.91 2bnn s VAL 104 N -1.83 1.55 -0.14 0.71 1.01 -0.74 -2.44 120.40 118.52 2bnn s VAL 104 Ca 0.29 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2bnn s VAL 104 Cb -0.09 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2bnn s VAL 104 CO 0.20 0.45 0.26 -0.31 0.00 0.00 0.00 175.10 175.71 2bnn s TYR 105 N 1.36 3.51 -0.59 5.22 1.51 -0.61 -1.74 117.35 126.01 2bnn s TYR 105 Ca 0.02 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.71 2bnn s TYR 105 Cb -0.13 -2.24 0.15 0.00 -0.11 0.00 0.00 41.96 39.62 2bnn s TYR 105 CO -0.08 0.38 0.36 1.21 -1.11 0.00 0.00 175.55 176.31 2bnn s ASN 106 N -0.00 4.63 -0.08 2.29 3.84 0.88 -2.60 114.94 123.91 2bnn s ASN 106 Ca 0.16 -3.21 -0.30 0.00 0.21 0.00 0.00 52.86 49.72 2bnn s ASN 106 Cb -0.13 -1.68 -0.05 0.00 -0.55 0.00 0.00 41.25 38.84 2bnn s ASN 106 CO 0.04 -0.21 1.54 0.00 -2.79 0.00 0.00 177.10 175.67 2bnn n LEU 108 N 6.84 0.00 -4.71 0.00 4.77 -0.10 -4.48 117.00 119.32 2bnn n LEU 108 Ca 0.16 -0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 2bnn n LEU 108 Cb 0.43 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2bnn n LEU 108 CO 0.60 -0.55 1.25 0.54 -1.33 0.00 0.00 177.39 177.91 2bnn s VAL 109 N -0.01 2.64 0.38 4.08 0.11 -1.26 -4.74 120.40 121.60 2bnn s VAL 109 Ca 0.07 0.42 0.08 0.00 -2.93 0.00 0.00 61.98 59.62 2bnn s VAL 109 Cb -0.00 -3.27 -0.06 0.00 -1.53 0.00 0.00 36.38 31.52 2bnn s VAL 109 CO 0.04 0.03 0.08 -0.13 -3.33 0.00 0.00 175.10 171.79 2bnn s ARG 110 N 1.37 2.13 -0.17 1.54 0.52 -1.26 -4.59 118.95 118.49 2bnn s ARG 110 Ca 0.71 -1.83 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 2bnn s ARG 110 Cb -0.44 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.17 2bnn s ARG 110 CO 0.31 0.01 0.45 -0.08 0.02 0.00 0.00 175.30 176.02 2bnn s THR 111 N -2.58 -0.00 -0.17 0.02 -1.32 -1.26 -5.02 115.64 105.31 2bnn s THR 111 Ca 0.37 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.14 2bnn s THR 111 Cb 0.03 -0.63 0.31 0.00 -1.51 0.00 0.00 72.50 70.70 2bnn s THR 111 CO 0.20 0.00 1.85 0.11 -2.21 0.00 0.00 174.62 174.58 2bnn h LYS 112 N 5.44 0.00 0.00 7.08 1.57 -1.93 -2.21 116.57 126.52 2bnn h LYS 112 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2bnn h LYS 112 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2bnn h LYS 112 CO 0.22 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.64 2bnn n ARG 113 N -2.60 0.47 -2.84 3.15 5.12 -1.24 -4.08 116.66 114.64 2bnn n ARG 113 Ca 0.01 0.03 -0.10 0.00 -1.93 0.00 0.00 57.85 55.86 2bnn n ARG 113 Cb 0.23 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.05 2bnn n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bnn n ALA 114 N -1.23 -0.80 0.18 7.54 0.00 -0.84 -5.03 120.51 120.33 2bnn n ALA 114 Ca 0.14 -1.68 0.18 0.00 0.00 0.00 0.00 53.44 52.09 2bnn n ALA 114 Cb 0.19 -1.27 0.81 0.00 0.00 0.00 0.00 19.45 19.18 2bnn n ALA 114 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2bnn h PRO 115 N 4.26 0.00 -0.47 0.00 0.11 -1.69 -1.12 132.00 133.09 2bnn h PRO 115 Ca -0.06 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 2bnn h PRO 115 Cb 1.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 2bnn h PRO 115 CO 0.29 0.00 0.05 0.77 -0.21 0.00 0.00 178.00 178.90 2bnn h SER 116 N 0.00 0.70 -1.74 -2.05 0.02 -1.92 -3.42 113.55 105.13 2bnn h SER 116 Ca 0.11 -0.14 -0.58 0.00 -0.84 0.00 0.00 61.79 60.34 2bnn h SER 116 Cb 0.68 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2bnn h SER 116 CO -0.00 0.74 1.51 -0.11 -1.14 0.00 0.00 176.83 177.83 2bnn n LEU 117 N -4.25 2.88 -3.66 5.07 7.94 -0.42 -3.78 117.00 120.78 2bnn n LEU 117 Ca 0.03 0.12 -0.29 0.00 -1.11 0.00 0.00 56.01 54.76 2bnn n LEU 117 Cb 0.26 -1.50 -0.12 0.00 0.53 0.00 0.00 43.42 42.58 2bnn n LEU 117 CO 0.40 -0.84 -0.23 -0.69 -1.11 0.00 0.00 177.39 174.92 2bnn s VAL 118 N 8.81 1.35 0.01 1.96 1.01 -0.03 -4.64 120.40 128.88 2bnn s VAL 118 Ca 1.03 -2.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.02 2bnn s VAL 118 Cb -0.41 -1.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 2bnn s VAL 118 CO 0.36 -0.99 0.55 -2.16 0.00 0.00 0.00 175.10 172.87 2bnn s PRO 119 N 0.05 4.22 0.06 2.72 0.04 -1.26 -1.74 135.00 139.09 2bnn s PRO 119 Ca 0.22 0.66 0.04 0.00 0.04 0.00 0.00 61.00 61.96 2bnn s PRO 119 Cb -0.16 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 2bnn s PRO 119 CO -0.06 0.49 -0.11 -0.51 0.04 0.00 0.00 177.00 176.85 2bnn s LEU 120 N -0.58 2.26 -0.21 -3.56 1.43 0.88 -0.92 118.68 117.99 2bnn s LEU 120 Ca 0.29 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2bnn s LEU 120 Cb -0.18 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 2bnn s LEU 120 CO 0.17 -0.12 0.13 -0.69 0.23 0.00 0.00 176.35 176.07 2bnn s VAL 121 N -1.29 5.38 -0.11 -1.59 1.01 0.14 -0.63 120.40 123.32 2bnn s VAL 121 Ca -0.05 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2bnn s VAL 121 Cb -0.10 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2bnn s VAL 121 CO 0.01 0.42 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 2bnn s VAL 122 N 0.51 2.29 -0.19 2.92 1.01 0.13 -0.08 120.40 126.99 2bnn s VAL 122 Ca 0.08 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 2bnn s VAL 122 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2bnn s VAL 122 CO -0.01 0.55 0.30 -1.81 0.00 0.00 0.00 175.10 174.13 2bnn s ASP 123 N 0.35 6.36 -0.43 3.32 1.01 -0.71 -0.63 116.67 125.94 2bnn s ASP 123 Ca -0.17 0.42 -0.13 0.00 0.71 0.00 0.00 52.55 53.38 2bnn s ASP 123 Cb -0.18 -2.18 0.06 0.00 1.01 0.00 0.00 42.92 41.63 2bnn s ASP 123 CO 0.08 0.04 0.32 -0.69 0.21 0.00 0.00 175.17 175.13 2bnn s VAL 124 N 0.86 4.92 -0.35 -1.27 1.01 0.27 -1.79 120.40 124.05 2bnn s VAL 124 Ca 0.15 -1.04 0.21 0.00 0.00 0.00 0.00 61.98 61.31 2bnn s VAL 124 Cb -0.14 -3.89 0.27 0.00 0.00 0.00 0.00 36.38 32.63 2bnn s VAL 124 CO 0.05 -0.46 1.58 -0.07 0.00 0.00 0.00 175.10 176.20 2bnn h LEU 125 N 8.61 0.00 -9.66 3.92 3.38 -1.68 -3.06 115.31 116.83 2bnn h LEU 125 Ca -0.26 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.05 2bnn h LEU 125 Cb 1.10 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2bnn h LEU 125 CO 0.79 0.13 -0.54 -0.89 0.09 0.00 0.00 178.44 178.02 2bnn s THR 126 N -3.16 5.06 -0.16 0.22 2.01 -1.26 -4.76 115.64 113.59 2bnn s THR 126 Ca 0.06 -0.25 0.15 0.00 0.31 0.00 0.00 61.69 61.96 2bnn s THR 126 Cb 0.06 -3.32 0.43 0.00 0.01 0.00 0.00 72.50 69.68 2bnn s THR 126 CO 0.69 0.37 1.20 -0.90 -0.69 0.00 0.00 174.62 175.29 2bnn n ASP 127 N 1.20 1.68 -3.98 3.53 5.75 -1.25 -0.44 116.55 123.03 2bnn n ASP 127 Ca -0.13 -3.34 -0.32 0.00 -0.01 0.00 0.00 54.79 51.00 2bnn n ASP 127 Cb 0.53 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 40.04 2bnn n ASP 127 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2bnn s ASN 128 N -2.93 4.63 0.59 -1.12 3.84 -1.26 -2.18 114.94 116.50 2bnn s ASN 128 Ca 0.37 -3.09 0.32 0.00 0.21 0.00 0.00 52.86 50.68 2bnn s ASN 128 Cb 0.38 -1.70 1.28 0.00 -0.55 0.00 0.00 41.25 40.66 2bnn s ASN 128 CO -0.09 -0.25 1.57 -0.65 -2.79 0.00 0.00 177.10 174.89 2bnn h PRO 129 N 6.49 0.00 0.00 0.43 0.11 -1.93 0.90 132.00 138.00 2bnn h PRO 129 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2bnn h PRO 129 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2bnn h PRO 129 CO 0.70 0.00 -0.08 0.22 -0.21 0.00 0.00 178.00 178.63 2bnn h ASP 130 N 0.00 0.00 -0.06 -2.05 3.58 -1.98 -2.62 116.42 113.29 2bnn h ASP 130 Ca 0.50 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2bnn h ASP 130 Cb 2.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.57 2bnn h ASP 130 CO -0.01 0.08 0.00 0.47 -2.88 0.00 0.00 179.24 176.90 2bnn n ASP 131 N -3.98 1.45 -4.69 2.28 8.00 0.31 -4.93 116.55 114.99 2bnn n ASP 131 Ca -0.03 -1.54 -0.53 0.00 0.71 0.00 0.00 54.79 53.41 2bnn n ASP 131 Cb 0.17 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 2bnn n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bnn n ALA 132 N 0.15 0.36 -2.65 2.24 0.00 -0.99 -4.93 120.51 114.69 2bnn n ALA 132 Ca 0.18 0.32 -0.44 0.00 0.00 0.00 0.00 53.44 53.51 2bnn n ALA 132 Cb 0.33 -2.37 -0.08 0.00 0.00 0.00 0.00 19.45 17.34 2bnn n ALA 132 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2bnn s LYS 133 N 3.94 3.08 0.38 0.00 -0.14 -1.26 -5.04 119.74 120.70 2bnn s LYS 133 Ca 0.96 -0.92 -0.26 0.00 -1.36 0.00 0.00 55.97 54.39 2bnn s LYS 133 Cb -0.89 -4.04 -0.09 0.00 -1.68 0.00 0.00 37.83 31.13 2bnn s LYS 133 CO 0.59 -1.00 1.24 -0.06 -0.76 0.00 0.00 175.35 175.36 2bnn s PHE 134 N 2.18 2.99 0.14 3.18 0.40 -1.26 -4.67 117.98 120.94 2bnn s PHE 134 Ca 0.11 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.95 2bnn s PHE 134 Cb -0.19 -3.55 -0.04 0.00 0.51 0.00 0.00 43.02 39.75 2bnn s PHE 134 CO 0.12 -1.69 0.23 0.54 0.70 0.00 0.00 175.22 175.12 2bnn s ASN 135 N -0.84 6.12 0.00 1.36 2.20 -0.81 -4.97 114.94 118.00 2bnn s ASN 135 Ca 0.55 0.10 0.00 0.00 -0.94 0.00 0.00 52.86 52.57 2bnn s ASN 135 Cb -0.35 -1.79 0.00 0.00 -2.00 0.00 0.00 41.25 37.11 2bnn s ASN 135 CO 0.46 0.07 0.41 -1.54 -2.94 0.00 0.00 177.10 173.56 2bnn n SER 136 N -0.38 0.46 0.00 3.54 3.41 -1.26 -2.96 113.62 116.43 2bnn n SER 136 Ca -0.07 -1.27 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 2bnn n SER 136 Cb 0.54 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2bnn n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bnn n GLY 137 N 0.17 -2.85 3.32 5.00 0.00 -1.26 -4.43 105.19 105.15 2bnn n GLY 137 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2bnn n GLY 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2bnn n HIS 138 N -1.19 0.93 0.04 1.61 1.44 -1.26 -4.67 115.22 112.13 2bnn n HIS 138 Ca 0.00 -2.34 -0.05 0.00 -2.01 0.00 0.00 57.72 53.33 2bnn n HIS 138 Cb 0.00 -0.26 0.16 0.00 0.12 0.00 0.00 29.99 30.01 2bnn n HIS 138 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bnn h ALA 139 N 1.30 0.96 -0.96 1.59 0.00 -1.98 0.18 119.26 120.35 2bnn h ALA 139 Ca -0.38 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 53.59 2bnn h ALA 139 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2bnn h ALA 139 CO 0.62 0.63 -0.23 0.20 0.00 0.00 0.00 179.25 180.47 2bnn s GLY 140 N -4.15 2.01 0.84 0.00 0.00 -1.26 -4.76 107.32 100.00 2bnn s GLY 140 Ca -0.06 -1.80 -0.12 0.00 0.00 0.00 0.00 44.72 42.75 2bnn s GLY 140 CO 0.80 -1.73 1.11 -1.31 0.00 0.00 0.00 173.10 171.97 2bnn s ASN 141 N -4.42 4.12 -0.16 1.64 0.01 -0.73 -3.60 114.94 111.79 2bnn s ASN 141 Ca 0.51 1.18 -0.05 0.00 -0.71 0.00 0.00 52.86 53.79 2bnn s ASN 141 Cb -0.05 -1.85 0.08 0.00 0.41 0.00 0.00 41.25 39.84 2bnn s ASN 141 CO 0.31 -2.19 0.28 -0.70 -1.51 0.00 0.00 177.10 173.30 2bnn s GLU 142 N -5.20 0.19 -0.02 -0.60 2.12 -0.07 -1.39 118.70 113.73 2bnn s GLU 142 Ca 0.62 0.66 -0.20 0.00 0.36 0.00 0.00 54.97 56.41 2bnn s GLU 142 Cb -0.15 -0.25 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 2bnn s GLU 142 CO 0.54 -0.39 0.57 0.12 -0.54 0.00 0.00 175.26 175.56 2bnn s PHE 143 N 2.44 3.67 0.06 5.30 5.36 -0.29 -0.45 117.98 134.06 2bnn s PHE 143 Ca 0.03 1.15 0.04 0.00 -0.96 0.00 0.00 56.93 57.19 2bnn s PHE 143 Cb -0.13 -2.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.94 2bnn s PHE 143 CO -0.10 0.35 -0.11 -0.51 -1.46 0.00 0.00 175.22 173.39 2bnn s LEU 144 N -0.17 2.27 -0.11 6.12 1.02 0.64 0.36 118.68 128.81 2bnn s LEU 144 Ca 0.30 -0.59 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 2bnn s LEU 144 Cb -0.18 -0.37 0.05 0.00 0.02 0.00 0.00 46.19 45.72 2bnn s LEU 144 CO 0.16 -0.13 0.23 0.12 0.02 0.00 0.00 176.35 176.75 2bnn s PHE 145 N -1.33 -0.34 -0.31 0.29 5.36 -0.65 -0.17 117.98 120.84 2bnn s PHE 145 Ca -0.05 0.82 -0.29 0.00 -0.96 0.00 0.00 56.93 56.45 2bnn s PHE 145 Cb -0.10 -0.06 0.01 0.00 -0.34 0.00 0.00 43.02 42.53 2bnn s PHE 145 CO 0.01 -0.29 1.23 0.08 -1.46 0.00 0.00 175.22 174.79 2bnn s VAL 146 N 2.00 4.25 -0.12 3.12 1.01 -0.48 -1.01 120.40 129.17 2bnn s VAL 146 Ca -0.02 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.17 2bnn s VAL 146 Cb -0.12 -4.24 -0.26 0.00 0.00 0.00 0.00 36.38 31.76 2bnn s VAL 146 CO -0.08 -0.49 0.63 -0.07 0.00 0.00 0.00 175.10 175.10 2bnn h LEU 147 N 10.62 0.24 -7.74 3.92 3.38 -0.54 0.83 115.31 126.02 2bnn h LEU 147 Ca -0.24 -0.85 -0.21 0.00 0.09 0.00 0.00 57.88 56.66 2bnn h LEU 147 Cb 1.09 -0.08 -0.26 0.00 0.09 0.00 0.00 40.66 41.49 2bnn h LEU 147 CO 1.03 1.39 -0.68 -1.61 0.09 0.00 0.00 178.44 178.66 2bnn s GLU 148 N -2.38 0.10 2.71 1.13 2.02 -1.14 -4.75 118.70 116.39 2bnn s GLU 148 Ca -0.20 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2bnn s GLU 148 Cb 0.02 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.29 2bnn s GLU 148 CO 0.73 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.41 2bnn n GLY 149 N 2.78 -0.53 3.23 -1.39 0.00 -1.26 -1.63 105.19 106.40 2bnn n GLY 149 Ca -0.14 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 2bnn n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnn s GLU 150 N 0.00 1.79 -0.13 1.61 8.01 -1.26 -1.91 118.70 126.81 2bnn s GLU 150 Ca 0.00 -0.77 -0.00 0.00 0.01 0.00 0.00 54.97 54.21 2bnn s GLU 150 Cb 0.00 -1.71 -0.02 0.00 -4.31 0.00 0.00 34.13 28.09 2bnn s GLU 150 CO 0.00 0.45 -0.11 0.42 0.01 0.00 0.00 175.26 176.03 2bnn s ILE 151 N -0.47 3.20 -0.43 -1.63 -1.09 0.11 -1.90 121.20 119.00 2bnn s ILE 151 Ca 0.07 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 2bnn s ILE 151 Cb -0.09 -2.35 0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2bnn s ILE 151 CO -0.00 0.53 0.40 -2.28 -1.23 0.00 0.00 174.94 172.35 2bnn s HIS 152 N 0.24 3.19 -0.11 3.97 5.65 0.66 -0.02 115.29 128.87 2bnn s HIS 152 Ca -0.08 -0.50 -0.06 0.00 0.25 0.00 0.00 55.06 54.67 2bnn s HIS 152 Cb -0.15 -2.84 -0.04 0.00 -1.18 0.00 0.00 32.58 28.37 2bnn s HIS 152 CO 0.05 -0.69 0.10 1.41 -0.65 0.00 0.00 174.74 174.96 2bnn s MET 153 N 1.96 3.33 0.09 2.88 1.75 0.16 -2.30 119.30 127.16 2bnn s MET 153 Ca 0.09 -0.21 0.09 0.00 -1.25 0.00 0.00 55.69 54.41 2bnn s MET 153 Cb -0.18 -3.08 -0.03 0.00 2.84 0.00 0.00 34.83 34.37 2bnn s MET 153 CO 0.12 0.74 -0.24 0.15 -0.65 0.00 0.00 175.02 175.14 2bnn s LYS 154 N -0.95 1.41 0.23 4.11 1.02 -0.34 -0.81 119.74 124.41 2bnn s LYS 154 Ca 0.14 -1.17 -0.19 0.00 0.02 0.00 0.00 55.97 54.77 2bnn s LYS 154 Cb -0.12 -1.71 0.02 0.00 -0.52 0.00 0.00 37.83 35.51 2bnn s LYS 154 CO 0.03 0.42 0.60 1.67 -0.92 0.00 0.00 175.35 177.15 2bnn s TRP 155 N -0.98 -0.10 0.00 3.18 -2.14 -0.30 -0.71 118.94 117.89 2bnn s TRP 155 Ca 0.10 -0.27 0.00 0.00 2.66 0.00 0.00 56.10 58.59 2bnn s TRP 155 Cb -0.10 0.49 0.00 0.00 -3.10 0.00 0.00 33.47 30.76 2bnn s TRP 155 CO 0.04 -1.04 0.00 0.41 -2.66 0.00 0.00 176.95 173.70 2bnn n GLY 156 N -0.40 0.48 3.69 3.67 0.00 0.53 -1.52 105.19 111.65 2bnn n GLY 156 Ca -0.07 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2bnn n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bnn s ASP 157 N -4.00 6.95 0.52 1.61 2.15 -1.26 -4.35 116.67 118.29 2bnn s ASP 157 Ca 0.00 1.98 0.31 0.00 0.43 0.00 0.00 52.55 55.27 2bnn s ASP 157 Cb 0.00 -2.56 1.22 0.00 -0.30 0.00 0.00 42.92 41.28 2bnn s ASP 157 CO 0.00 -0.65 1.93 0.07 -0.17 0.00 0.00 175.17 176.35 2bnn h LYS 158 N 7.62 0.00 0.70 4.34 2.10 -1.94 -1.21 116.57 128.17 2bnn h LYS 158 Ca -0.36 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.25 2bnn h LYS 158 Cb 1.17 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2bnn h LYS 158 CO 0.89 0.06 -0.34 0.93 -2.00 0.00 0.00 179.45 178.99 2bnn h GLU 159 N 0.00 -0.91 -2.83 0.07 5.08 -1.99 -3.39 114.58 110.62 2bnn h GLU 159 Ca -0.00 0.06 -0.61 0.00 -1.00 0.00 0.00 59.36 57.81 2bnn h GLU 159 Cb 0.59 0.21 -0.41 0.00 0.50 0.00 0.00 28.75 29.63 2bnn h GLU 159 CO 0.01 -0.57 -0.65 0.27 -1.00 0.00 0.00 179.01 177.06 2bnn n ASN 160 N -5.43 2.48 -4.86 1.42 0.23 -1.16 -5.12 115.26 102.82 2bnn n ASN 160 Ca -0.13 -3.09 -0.30 0.00 -0.53 0.00 0.00 54.58 50.52 2bnn n ASN 160 Cb 0.39 -0.71 0.04 0.00 -2.08 0.00 0.00 39.78 37.42 2bnn n ASN 160 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2bnn s PRO 161 N -1.34 2.99 0.00 -0.53 0.04 -0.47 -4.39 135.00 131.30 2bnn s PRO 161 Ca 0.28 0.64 -0.01 0.00 0.04 0.00 0.00 61.00 61.95 2bnn s PRO 161 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2bnn s PRO 161 CO -0.15 -0.98 0.15 0.15 0.04 0.00 0.00 177.00 176.20 2bnn s LYS 162 N -5.23 3.30 0.07 4.56 1.02 -0.58 -4.94 119.74 117.94 2bnn s LYS 162 Ca 0.58 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 56.19 2bnn s LYS 162 Cb -0.12 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 2bnn s LYS 162 CO 0.53 0.65 -0.09 -1.21 -0.92 0.00 0.00 175.35 174.32 2bnn s GLU 163 N -1.97 0.71 -0.05 1.68 2.02 -1.26 -1.15 118.70 118.69 2bnn s GLU 163 Ca 0.27 -1.03 -0.16 0.00 0.02 0.00 0.00 54.97 54.08 2bnn s GLU 163 Cb -0.12 -0.38 0.03 0.00 0.10 0.00 0.00 34.13 33.76 2bnn s GLU 163 CO 0.19 0.05 0.36 0.00 0.02 0.00 0.00 175.26 175.87 2bnn s ALA 164 N -2.22 -0.90 -0.25 5.21 0.00 0.01 -4.99 121.76 118.61 2bnn s ALA 164 Ca 0.00 0.58 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 2bnn s ALA 164 Cb -0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2bnn s ALA 164 CO -0.01 -0.25 0.15 -0.51 0.00 0.00 0.00 175.76 175.14 2bnn s LEU 165 N -0.95 3.94 -0.29 0.00 1.43 -1.26 -0.66 118.68 120.88 2bnn s LEU 165 Ca -0.10 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2bnn s LEU 165 Cb -0.04 -2.07 0.07 0.00 0.03 0.00 0.00 46.19 44.17 2bnn s LEU 165 CO 0.04 0.01 -0.04 -0.76 0.23 0.00 0.00 176.35 175.83 2bnn s LEU 166 N 1.41 3.88 0.97 1.79 1.43 0.97 -4.98 118.68 124.15 2bnn s LEU 166 Ca 0.07 -1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 51.54 2bnn s LEU 166 Cb -0.15 -1.63 0.17 0.00 0.03 0.00 0.00 46.19 44.62 2bnn s LEU 166 CO 0.07 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.32 2bnn s PRO 167 N 1.12 0.68 0.10 1.29 0.04 -1.26 -0.71 135.00 136.26 2bnn s PRO 167 Ca -0.04 0.86 -0.36 0.00 0.04 0.00 0.00 61.00 61.50 2bnn s PRO 167 Cb -0.20 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.44 2bnn s PRO 167 CO -0.04 -2.65 1.40 2.41 0.04 0.00 0.00 177.00 178.16 2bnn n THR 168 N -4.17 0.00 -0.95 1.26 -1.04 -0.80 -2.16 114.28 106.42 2bnn n THR 168 Ca 0.06 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2bnn n THR 168 Cb 0.55 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2bnn n THR 168 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bnn n GLY 169 N 2.74 0.43 3.80 3.41 0.00 0.28 -5.01 105.19 110.85 2bnn n GLY 169 Ca 0.18 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2bnn n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bnn s ALA 170 N -2.00 3.41 0.07 4.61 0.00 -0.92 -4.85 121.76 122.08 2bnn s ALA 170 Ca 0.00 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.30 2bnn s ALA 170 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 2bnn s ALA 170 CO 0.00 0.30 -0.20 -1.54 0.00 0.00 0.00 175.76 174.33 2bnn s SER 171 N -1.48 3.73 0.00 0.00 1.04 -1.26 -1.39 113.70 114.35 2bnn s SER 171 Ca 0.41 -0.50 -0.08 0.00 0.48 0.00 0.00 55.95 56.25 2bnn s SER 171 Cb -0.19 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.40 2bnn s SER 171 CO 0.23 0.23 0.16 -0.32 0.98 0.00 0.00 173.24 174.52 2bnn s MET 172 N -1.67 0.51 -0.08 4.02 0.00 0.76 -4.99 119.30 117.85 2bnn s MET 172 Ca 0.15 -0.37 0.04 0.00 0.00 0.00 0.00 55.69 55.52 2bnn s MET 172 Cb -0.10 0.21 -0.01 0.00 0.00 0.00 0.00 34.83 34.93 2bnn s MET 172 CO 0.06 -0.12 -0.22 0.12 0.00 0.00 0.00 175.02 174.86 2bnn s PHE 173 N -1.37 2.56 -0.23 4.11 5.36 -1.26 -0.26 117.98 126.89 2bnn s PHE 173 Ca -0.14 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 2bnn s PHE 173 Cb -0.07 -1.67 0.04 0.00 -0.34 0.00 0.00 43.02 40.97 2bnn s PHE 173 CO 0.02 -0.23 -0.13 0.08 -1.46 0.00 0.00 175.22 173.49 2bnn s VAL 174 N 0.00 2.26 0.73 3.12 1.01 0.40 -4.99 120.40 122.94 2bnn s VAL 174 Ca -0.07 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.50 2bnn s VAL 174 Cb -0.15 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.11 2bnn s VAL 174 CO 0.05 0.23 1.22 -0.70 0.00 0.00 0.00 175.10 175.90 2bnn s GLU 175 N 1.21 2.11 0.44 2.72 2.12 -1.26 -0.89 118.70 125.14 2bnn s GLU 175 Ca -0.02 1.81 -0.24 0.00 0.36 0.00 0.00 54.97 56.88 2bnn s GLU 175 Cb -0.17 -1.82 -0.10 0.00 0.26 0.00 0.00 34.13 32.30 2bnn s GLU 175 CO -0.08 -1.87 1.03 -0.85 -0.54 0.00 0.00 175.26 172.95 2bnn n GLU 176 N -2.70 1.38 -0.71 4.30 0.28 -1.24 -2.80 120.64 119.14 2bnn n GLU 176 Ca 0.14 0.50 0.00 0.00 -0.16 0.00 0.00 57.16 57.63 2bnn n GLU 176 Cb 0.50 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.28 2bnn n GLU 176 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2bnn n HIS 177 N -0.57 0.00 -2.60 -1.84 8.25 0.61 -4.92 115.22 114.15 2bnn n HIS 177 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 2bnn n HIS 177 Cb 0.40 -0.92 -0.02 0.00 1.12 0.00 0.00 29.99 30.57 2bnn n HIS 177 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2bnn s VAL 178 N -2.16 4.53 0.36 1.59 1.01 -1.12 -4.45 120.40 120.16 2bnn s VAL 178 Ca 0.00 1.82 -0.28 0.00 0.00 0.00 0.00 61.98 63.52 2bnn s VAL 178 Cb 0.00 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 2bnn s VAL 178 CO 0.00 -0.30 1.29 -2.84 0.00 0.00 0.00 175.10 173.25 2bnn s PRO 179 N 3.46 4.23 0.17 2.72 0.02 -1.26 -4.13 135.00 140.20 2bnn s PRO 179 Ca 0.47 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 63.46 2bnn s PRO 179 Cb -0.15 -2.95 0.04 0.00 0.02 0.00 0.00 34.50 31.46 2bnn s PRO 179 CO 0.11 -0.28 0.52 -3.38 -0.33 0.00 0.00 177.00 173.65 2bnn s HIS 180 N -1.20 -0.27 -0.10 6.54 -3.43 -1.16 -0.34 115.29 115.33 2bnn s HIS 180 Ca 0.52 -0.03 -0.17 0.00 -0.80 0.00 0.00 55.06 54.57 2bnn s HIS 180 Cb -0.38 0.42 0.04 0.00 -1.43 0.00 0.00 32.58 31.23 2bnn s HIS 180 CO 0.50 -0.86 0.44 0.00 -2.00 0.00 0.00 174.74 172.82 2bnn s ALA 181 N -3.82 -1.09 0.11 -1.38 0.00 0.11 -1.93 121.76 113.76 2bnn s ALA 181 Ca 0.05 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.07 2bnn s ALA 181 Cb -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2bnn s ALA 181 CO -0.08 -0.25 -0.19 -0.06 0.00 0.00 0.00 175.76 175.18 2bnn s PHE 182 N -0.45 1.72 0.15 0.00 0.40 -1.26 -1.20 117.98 117.34 2bnn s PHE 182 Ca -0.06 -0.44 -0.18 0.00 -0.60 0.00 0.00 56.93 55.65 2bnn s PHE 182 Cb -0.03 -0.92 0.04 0.00 0.51 0.00 0.00 43.02 42.61 2bnn s PHE 182 CO 0.03 0.21 0.48 -0.08 0.70 0.00 0.00 175.22 176.56 2bnn s THR 183 N -1.38 0.04 0.57 0.64 -1.32 -0.97 -4.74 115.64 108.48 2bnn s THR 183 Ca 0.07 -0.47 -0.14 0.00 -1.21 0.00 0.00 61.69 59.94 2bnn s THR 183 Cb -0.09 -1.21 -0.05 0.00 -1.51 0.00 0.00 72.50 69.64 2bnn s THR 183 CO 0.04 -0.19 1.02 0.00 -2.21 0.00 0.00 174.62 173.28 2bnn s ALA 184 N -3.80 2.99 0.56 11.08 0.00 0.41 -0.24 121.76 132.76 2bnn s ALA 184 Ca 0.04 0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.92 2bnn s ALA 184 Cb 0.01 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.94 2bnn s ALA 184 CO -0.10 -0.55 1.06 0.00 0.00 0.00 0.00 175.76 176.16 2bnn n ALA 185 N -2.14 0.48 -1.65 0.00 0.00 -0.80 -4.26 120.51 112.14 2bnn n ALA 185 Ca 0.07 0.07 -0.53 0.00 0.00 0.00 0.00 53.44 53.04 2bnn n ALA 185 Cb 0.54 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 2bnn n ALA 185 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2bnn n LYS 186 N -0.84 1.30 -2.73 0.00 3.00 -1.24 -1.21 118.16 116.44 2bnn n LYS 186 Ca 0.12 0.47 -0.19 0.00 -0.00 0.00 0.00 58.31 58.72 2bnn n LYS 186 Cb 0.45 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.33 2bnn n LYS 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bnn n GLY 187 N 3.31 -0.50 0.82 3.14 0.00 -0.93 -4.87 105.19 106.17 2bnn n GLY 187 Ca 0.21 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.38 2bnn n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bnn n THR 188 N -3.91 0.14 0.00 2.61 -2.24 -0.35 -5.04 114.28 105.50 2bnn n THR 188 Ca -0.14 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2bnn n THR 188 Cb 0.62 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 2bnn n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bnn n GLY 189 N 1.11 2.12 3.54 3.38 0.00 -1.26 -4.86 105.19 109.22 2bnn n GLY 189 Ca 0.13 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2bnn n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bnn s SER 190 N -1.45 -0.50 0.25 1.61 1.04 -1.26 -3.89 113.70 109.51 2bnn s SER 190 Ca 0.00 0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.89 2bnn s SER 190 Cb 0.00 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 2bnn s SER 190 CO 0.00 -0.52 0.10 0.00 0.98 0.00 0.00 173.24 173.79 2bnn s ALA 191 N -1.56 1.67 -0.11 5.32 0.00 -1.16 -4.70 121.76 121.23 2bnn s ALA 191 Ca -0.04 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.09 2bnn s ALA 191 Cb -0.00 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.19 2bnn s ALA 191 CO 0.03 -0.46 -0.17 0.21 0.00 0.00 0.00 175.76 175.36 2bnn s LYS 192 N -4.04 2.43 -0.02 0.00 2.20 -0.65 -0.56 119.74 119.11 2bnn s LYS 192 Ca 0.38 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 2bnn s LYS 192 Cb 0.08 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.37 2bnn s LYS 192 CO 0.13 -0.00 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.57 2bnn s LEU 193 N 0.81 3.33 -0.21 5.43 1.43 0.20 0.26 118.68 129.94 2bnn s LEU 193 Ca -0.10 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 2bnn s LEU 193 Cb -0.16 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 2bnn s LEU 193 CO 0.01 0.31 0.06 -0.51 0.23 0.00 0.00 176.35 176.44 2bnn s ILE 194 N -0.98 4.56 -0.07 -0.59 2.07 -0.18 0.21 121.20 126.21 2bnn s ILE 194 Ca 0.17 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.33 2bnn s ILE 194 Cb -0.11 -3.08 -0.02 0.00 0.13 0.00 0.00 42.46 39.38 2bnn s ILE 194 CO 0.07 0.41 -0.18 0.00 -1.91 0.00 0.00 174.94 173.34 2bnn s ALA 195 N 0.84 2.49 -0.35 1.50 0.00 0.20 -1.63 121.76 124.80 2bnn s ALA 195 Ca 0.03 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2bnn s ALA 195 Cb -0.14 -0.94 0.10 0.00 0.00 0.00 0.00 23.12 22.15 2bnn s ALA 195 CO 0.02 0.42 0.09 0.08 0.00 0.00 0.00 175.76 176.38 2bnn s VAL 196 N -0.24 1.72 0.15 0.00 1.01 0.16 -0.08 120.40 123.11 2bnn s VAL 196 Ca 0.00 -2.07 -0.29 0.00 0.00 0.00 0.00 61.98 59.62 2bnn s VAL 196 Cb -0.13 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 2bnn s VAL 196 CO 0.03 -0.66 0.93 0.21 0.00 0.00 0.00 175.10 175.61 2bnn s ASN 197 N 1.06 7.52 0.00 3.32 3.04 -0.71 -1.14 114.94 128.02 2bnn s ASN 197 Ca 0.11 1.81 0.00 0.00 0.04 0.00 0.00 52.86 54.82 2bnn s ASN 197 Cb -0.19 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.94 2bnn s ASN 197 CO -0.13 0.02 0.00 2.22 -3.04 0.00 0.00 177.10 176.17