#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8u h LYS 2 N 0.00 0.00 -0.16 1.57 1.57 -2.04 -2.87 116.57 114.64 2b8u h LYS 2 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2b8u h LYS 2 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2b8u h LYS 2 CO 0.00 0.05 -0.16 0.00 -0.57 0.00 0.00 179.45 178.77 2b8u s ASP 4 N -2.69 4.28 0.17 0.00 2.15 -1.09 -4.90 116.67 114.60 2b8u s ASP 4 Ca 0.40 2.34 0.14 0.00 0.43 0.00 0.00 52.55 55.85 2b8u s ASP 4 Cb 0.36 -2.59 0.69 0.00 -0.30 0.00 0.00 42.92 41.08 2b8u s ASP 4 CO 0.00 -2.20 1.42 2.30 -0.17 0.00 0.00 175.17 176.52 2b8u n ILE 5 N -2.66 1.34 -0.35 4.11 -5.35 -1.26 -1.43 119.36 113.76 2b8u n ILE 5 Ca 0.13 0.55 0.35 0.00 -0.27 0.00 0.00 62.75 63.51 2b8u n ILE 5 Cb 0.50 -1.52 0.73 0.00 -1.74 0.00 0.00 39.64 37.61 2b8u n ILE 5 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2b8u h THR 6 N 0.00 0.39 -0.64 7.28 2.02 -1.95 0.80 112.91 120.80 2b8u h THR 6 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2b8u h THR 6 Cb 0.07 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 2b8u h THR 6 CO 0.00 0.01 0.32 -0.07 0.37 0.00 0.00 175.52 176.15 2b8u h LEU 7 N 0.04 0.83 -0.62 2.58 3.38 -1.60 -0.35 115.31 119.57 2b8u h LEU 7 Ca 0.60 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 2b8u h LEU 7 Cb 2.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.80 2b8u h LEU 7 CO -0.05 0.72 0.16 -0.61 0.09 0.00 0.00 178.44 178.75 2b8u h GLN 8 N 0.88 1.00 -0.63 1.13 5.75 -1.08 -1.05 115.11 121.11 2b8u h GLN 8 Ca 0.22 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 2b8u h GLN 8 Cb 0.10 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 2b8u h GLN 8 CO -0.03 0.90 0.36 0.93 -2.65 0.00 0.00 178.83 178.34 2b8u h GLU 9 N 0.91 0.66 -0.25 1.69 4.39 -0.86 0.19 114.58 121.32 2b8u h GLU 9 Ca 0.20 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2b8u h GLU 9 Cb 0.35 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2b8u h GLU 9 CO 0.00 0.44 0.10 0.82 -1.16 0.00 0.00 179.01 179.21 2b8u h ILE 10 N 0.68 1.16 -0.22 3.13 2.04 -0.86 -1.84 117.51 121.61 2b8u h ILE 10 Ca 0.27 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2b8u h ILE 10 Cb 0.13 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2b8u h ILE 10 CO -0.16 0.17 0.11 0.40 0.00 0.00 0.00 178.15 178.67 2b8u h ILE 11 N 0.25 1.13 -0.75 -0.67 2.04 -0.91 0.98 117.51 119.58 2b8u h ILE 11 Ca 0.08 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2b8u h ILE 11 Cb 0.17 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2b8u h ILE 11 CO -0.01 0.13 0.47 0.50 0.00 0.00 0.00 178.15 179.24 2b8u h LYS 12 N 0.23 0.88 -0.56 2.37 3.64 -0.96 0.26 116.57 122.42 2b8u h LYS 12 Ca 0.08 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2b8u h LYS 12 Cb 0.11 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2b8u h LYS 12 CO -0.01 0.58 0.08 1.15 -2.27 0.00 0.00 179.45 178.98 2b8u h THR 13 N 0.90 1.26 -0.64 1.00 2.02 -1.04 -1.77 112.91 114.64 2b8u h THR 13 Ca 0.31 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 2b8u h THR 13 Cb 0.05 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2b8u h THR 13 CO -0.13 0.36 0.26 -0.07 0.37 0.00 0.00 175.52 176.31 2b8u h LEU 14 N 0.82 0.85 -0.61 2.58 3.38 -0.03 0.21 115.31 122.52 2b8u h LEU 14 Ca 0.17 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2b8u h LEU 14 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2b8u h LEU 14 CO 0.01 0.76 0.40 0.78 0.09 0.00 0.00 178.44 180.49 2b8u h ASN 15 N 0.92 0.70 -0.52 -0.43 2.35 -0.27 -0.54 115.58 117.79 2b8u h ASN 15 Ca 0.22 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2b8u h ASN 15 Cb 0.17 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2b8u h ASN 15 CO -0.02 0.50 0.12 0.28 -1.65 0.00 0.00 177.43 176.66 2b8u h SER 16 N 0.82 0.80 -0.91 5.81 0.02 -0.91 -3.06 113.55 116.12 2b8u h SER 16 Ca 0.22 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2b8u h SER 16 Cb -0.09 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.19 2b8u h SER 16 CO -0.05 0.83 0.59 -0.07 -1.14 0.00 0.00 176.83 176.99 2b8u h LEU 17 N 0.73 1.06 -0.45 5.07 3.38 -0.71 -3.07 115.31 121.32 2b8u h LEU 17 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2b8u h LEU 17 Cb 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2b8u h LEU 17 CO 0.00 0.79 -0.01 0.35 0.09 0.00 0.00 178.44 179.66 2b8u n THR 18 N -4.43 0.00 -0.81 0.22 -2.24 -0.23 -3.01 114.28 103.78 2b8u n THR 18 Ca 0.10 -0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 2b8u n THR 18 Cb 0.03 -0.02 0.39 0.00 -2.10 0.00 0.00 70.33 68.63 2b8u n THR 18 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2b8u n GLU 19 N -0.46 4.71 -3.97 -0.78 0.28 -1.16 -4.85 120.64 114.41 2b8u n GLU 19 Ca 0.21 -3.03 -0.13 0.00 -0.16 0.00 0.00 57.16 54.05 2b8u n GLU 19 Cb 0.23 -2.22 -0.14 0.00 1.43 0.00 0.00 31.44 30.74 2b8u n GLU 19 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2b8u s GLN 20 N -2.65 0.16 0.00 3.44 -2.07 -1.16 -5.09 119.66 112.29 2b8u s GLN 20 Ca 0.53 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 53.95 2b8u s GLN 20 Cb 0.40 -0.12 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 2b8u s GLN 20 CO 0.16 0.03 0.00 1.63 -1.32 0.00 0.00 175.29 175.79 2b8u n LYS 21 N 2.90 3.78 0.00 9.60 5.02 -1.26 -4.98 118.16 133.22 2b8u n LYS 21 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2b8u n LYS 21 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 2b8u n LYS 21 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2b8u n THR 22 N 0.00 0.00 -0.18 -0.18 -1.04 -1.26 -4.59 114.28 107.03 2b8u n THR 22 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 2b8u n THR 22 Cb 0.00 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 68.92 2b8u n THR 22 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2b8u h LEU 23 N 0.00 0.56 -0.35 -4.42 5.85 -1.97 -2.34 115.31 112.64 2b8u h LEU 23 Ca 0.00 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2b8u h LEU 23 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2b8u h LEU 23 CO 0.00 0.34 -0.29 0.00 -0.34 0.00 0.00 178.44 178.15 2b8u n THR 25 N -4.20 0.24 1.29 0.00 -2.24 -0.90 -1.03 114.28 107.43 2b8u n THR 25 Ca -0.03 0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2b8u n THR 25 Cb 0.48 -0.61 0.48 0.00 -2.10 0.00 0.00 70.33 68.59 2b8u n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b8u n GLU 26 N -1.58 0.68 -1.55 -0.78 -0.58 -1.09 -1.44 120.64 114.30 2b8u n GLU 26 Ca 0.06 -0.32 -0.30 0.00 -0.42 0.00 0.00 57.16 56.19 2b8u n GLU 26 Cb 0.32 -1.49 0.11 0.00 -0.57 0.00 0.00 31.44 29.80 2b8u n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2b8u s LEU 27 N -2.54 2.40 0.37 -4.62 1.43 -0.20 -4.63 118.68 110.89 2b8u s LEU 27 Ca 0.25 1.19 0.08 0.00 -1.03 0.00 0.00 54.13 54.62 2b8u s LEU 27 Cb 0.19 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2b8u s LEU 27 CO 0.51 -2.17 0.28 0.42 0.23 0.00 0.00 176.35 175.62 2b8u s THR 28 N -3.20 3.02 0.05 5.49 -4.23 -1.26 -0.88 115.64 114.62 2b8u s THR 28 Ca 0.62 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 2b8u s THR 28 Cb -0.14 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 2b8u s THR 28 CO 0.54 -0.10 -0.04 0.68 -0.54 0.00 0.00 174.62 175.16 2b8u s VAL 29 N -2.41 0.26 0.20 2.29 -7.23 0.46 -4.80 120.40 109.17 2b8u s VAL 29 Ca 0.43 -1.49 -0.31 0.00 -1.81 0.00 0.00 61.98 58.80 2b8u s VAL 29 Cb -0.03 -1.08 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 2b8u s VAL 29 CO 0.26 -0.79 1.43 -0.89 -0.31 0.00 0.00 175.10 174.81 2b8u s THR 30 N -2.94 2.87 -0.97 5.32 2.01 -1.26 -0.83 115.64 119.84 2b8u s THR 30 Ca -0.01 0.68 -0.19 0.00 0.31 0.00 0.00 61.69 62.48 2b8u s THR 30 Cb 0.01 -3.44 0.12 0.00 0.01 0.00 0.00 72.50 69.20 2b8u s THR 30 CO -0.06 0.09 1.20 -0.62 -0.69 0.00 0.00 174.62 174.54 2b8u s ASP 31 N 0.66 6.64 0.57 3.53 2.15 -0.22 -4.80 116.67 125.20 2b8u s ASP 31 Ca 0.62 -2.02 0.36 0.00 0.43 0.00 0.00 52.55 51.95 2b8u s ASP 31 Cb -0.40 -2.43 1.97 0.00 -0.30 0.00 0.00 42.92 41.76 2b8u s ASP 31 CO 0.37 -1.11 2.10 0.16 -0.17 0.00 0.00 175.17 176.52 2b8u h ILE 32 N 5.91 0.00 -0.19 4.11 3.07 -1.90 -1.87 117.51 126.63 2b8u h ILE 32 Ca 0.18 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.59 2b8u h ILE 32 Cb 1.01 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 2b8u h ILE 32 CO 1.17 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.76 2b8u n PHE 33 N -2.81 0.26 1.14 0.16 3.72 -1.26 -3.39 117.46 115.27 2b8u n PHE 33 Ca -0.02 -0.13 0.12 0.00 -0.05 0.00 0.00 57.45 57.37 2b8u n PHE 33 Cb 0.11 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.85 2b8u n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b8u n ALA 34 N 0.12 3.27 -1.50 4.37 0.00 -0.70 -4.92 120.51 121.15 2b8u n ALA 34 Ca 0.11 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 2b8u n ALA 34 Cb 0.22 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.78 2b8u n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b8u s ALA 35 N -2.46 2.21 -1.15 0.00 0.00 -1.22 -4.89 121.76 114.24 2b8u s ALA 35 Ca 0.22 1.02 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2b8u s ALA 35 Cb 0.19 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2b8u s ALA 35 CO 0.53 -1.77 0.54 -1.13 0.00 0.00 0.00 175.76 173.93 2b8u n SER 36 N -2.40 0.80 -2.40 0.00 3.41 -1.26 -4.93 113.62 106.84 2b8u n SER 36 Ca 0.14 -1.88 -0.11 0.00 -0.26 0.00 0.00 58.87 56.77 2b8u n SER 36 Cb 0.49 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2b8u n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2b8u n LYS 37 N -0.05 -4.03 -3.12 4.33 5.02 -1.26 -4.99 118.16 114.06 2b8u n LYS 37 Ca 0.00 0.49 -0.44 0.00 -2.02 0.00 0.00 58.31 56.35 2b8u n LYS 37 Cb 0.20 -4.47 0.01 0.00 -0.02 0.00 0.00 35.03 30.74 2b8u n LYS 37 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2b8u n ASN 38 N -2.03 6.10 -3.67 4.39 6.94 -1.26 -4.99 115.26 120.74 2b8u n ASN 38 Ca -0.14 -3.29 -0.08 0.00 -0.02 0.00 0.00 54.58 51.06 2b8u n ASN 38 Cb 0.59 -1.30 -0.09 0.00 -2.36 0.00 0.00 39.78 36.62 2b8u n ASN 38 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2b8u s THR 39 N -2.28 -0.23 0.86 5.53 2.01 -1.26 -5.13 115.64 115.14 2b8u s THR 39 Ca 0.31 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.25 2b8u s THR 39 Cb -0.00 -0.79 0.09 0.00 0.01 0.00 0.00 72.50 71.81 2b8u s THR 39 CO 0.04 0.03 1.01 0.35 -0.69 0.00 0.00 174.62 175.36 2b8u n THR 40 N 4.60 1.10 -0.36 -0.82 -2.24 -1.26 -4.78 114.28 110.52 2b8u n THR 40 Ca -0.19 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.44 2b8u n THR 40 Cb 0.55 -1.01 0.15 0.00 -2.10 0.00 0.00 70.33 67.91 2b8u n THR 40 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2b8u h GLU 41 N -1.26 1.16 -0.43 -0.78 4.81 -2.01 -1.23 114.58 114.84 2b8u h GLU 41 Ca -0.45 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.60 2b8u h GLU 41 Cb 1.29 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2b8u h GLU 41 CO 0.42 0.77 -0.18 0.87 -0.73 0.00 0.00 179.01 180.17 2b8u h LYS 42 N 1.20 0.83 -0.30 1.92 1.57 -1.89 -1.99 116.57 117.90 2b8u h LYS 42 Ca 0.40 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 2b8u h LYS 42 Cb 0.06 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2b8u h LYS 42 CO -0.14 0.94 -0.26 0.93 -0.57 0.00 0.00 179.45 180.35 2b8u h GLU 43 N 0.73 0.58 -0.75 3.15 5.08 -1.77 -1.09 114.58 120.51 2b8u h GLU 43 Ca 0.11 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 2b8u h GLU 43 Cb 0.69 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2b8u h GLU 43 CO 0.05 0.79 0.31 1.15 -1.00 0.00 0.00 179.01 180.31 2b8u h THR 44 N 0.51 1.25 -0.34 1.13 2.02 -0.98 -0.83 112.91 115.67 2b8u h THR 44 Ca 0.07 -0.79 -0.11 0.00 0.77 0.00 0.00 66.41 66.36 2b8u h THR 44 Cb 0.71 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2b8u h THR 44 CO 0.05 0.32 -0.20 -0.26 0.37 0.00 0.00 175.52 175.80 2b8u h PHE 45 N 1.08 0.87 -0.61 3.16 0.04 -0.92 -1.30 116.94 119.25 2b8u h PHE 45 Ca 0.25 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2b8u h PHE 45 Cb 0.20 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 2b8u h PHE 45 CO 0.02 0.96 0.34 0.00 -0.60 0.00 0.00 178.31 179.03 2b8u h ARG 47 N 0.82 0.16 -0.36 0.00 3.08 -0.92 -0.17 114.38 116.98 2b8u h ARG 47 Ca 0.21 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2b8u h ARG 47 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2b8u h ARG 47 CO -0.04 0.10 0.13 0.00 -1.07 0.00 0.00 179.97 179.10 2b8u h ALA 48 N 1.11 0.47 -0.62 0.04 0.00 -1.01 -2.12 119.26 117.13 2b8u h ALA 48 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2b8u h ALA 48 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2b8u h ALA 48 CO -0.07 0.09 0.34 0.00 0.00 0.00 0.00 179.25 179.61 2b8u h ALA 49 N 0.98 1.43 0.13 0.00 0.00 -0.62 -2.06 119.26 119.11 2b8u h ALA 49 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2b8u h ALA 49 Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2b8u h ALA 49 CO -0.01 0.47 -0.06 1.15 0.00 0.00 0.00 179.25 180.80 2b8u h THR 50 N 0.86 1.03 -0.75 0.00 2.02 -0.63 -0.41 112.91 115.04 2b8u h THR 50 Ca 0.22 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.60 2b8u h THR 50 Cb 0.02 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2b8u h THR 50 CO -0.04 0.19 0.49 -0.37 0.37 0.00 0.00 175.52 176.16 2b8u h VAL 51 N -0.57 1.20 -0.28 3.16 -1.51 -1.32 -0.83 116.25 116.10 2b8u h VAL 51 Ca -0.02 -0.37 -0.17 0.00 -1.23 0.00 0.00 66.70 64.91 2b8u h VAL 51 Cb 0.44 0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 29.70 2b8u h VAL 51 CO 0.03 0.19 -0.51 -0.07 -1.23 0.00 0.00 177.57 175.98 2b8u h LEU 52 N 1.02 0.86 -0.86 4.19 3.38 -1.28 -0.91 115.31 121.71 2b8u h LEU 52 Ca 0.28 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2b8u h LEU 52 Cb -0.10 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.36 2b8u h LEU 52 CO -0.06 1.21 0.50 -0.09 0.09 0.00 0.00 178.44 180.10 2b8u h ARG 53 N 0.61 1.19 -0.71 1.13 2.43 -0.71 -0.71 114.38 117.62 2b8u h ARG 53 Ca 0.02 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2b8u h ARG 53 Cb 1.09 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 2b8u h ARG 53 CO 0.11 0.85 0.44 1.96 -1.51 0.00 0.00 179.97 181.82 2b8u h GLN 54 N 1.20 0.83 0.19 0.20 4.20 -0.76 -1.19 115.11 119.78 2b8u h GLN 54 Ca 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2b8u h GLN 54 Cb -0.02 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2b8u h GLN 54 CO -0.05 0.55 -0.09 0.35 -0.67 0.00 0.00 178.83 178.92 2b8u h PHE 55 N 0.86 -0.23 0.00 2.96 3.04 -0.61 -1.48 116.94 121.48 2b8u h PHE 55 Ca 0.29 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.12 2b8u h PHE 55 Cb 0.03 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 2b8u h PHE 55 CO -0.04 0.06 -0.52 0.10 -2.02 0.00 0.00 178.31 175.89 2b8u h TYR 56 N -0.53 0.00 -0.36 0.41 -0.00 -1.08 -0.57 116.97 114.84 2b8u h TYR 56 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.67 2b8u h TYR 56 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.11 2b8u h TYR 56 CO 0.01 0.52 0.08 0.77 -0.00 0.00 0.00 178.16 179.54 2b8u h SER 57 N 0.00 0.56 0.72 0.10 0.02 -1.17 -1.23 113.55 112.55 2b8u h SER 57 Ca -0.01 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.58 2b8u h SER 57 Cb 0.98 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2b8u h SER 57 CO 0.07 0.66 -0.61 0.45 -1.14 0.00 0.00 176.83 176.26 2b8u h HIS 58 N 0.44 0.00 -0.01 3.45 3.86 -1.04 -3.36 115.15 118.49 2b8u h HIS 58 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2b8u h HIS 58 Cb 0.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.79 2b8u h HIS 58 CO 0.02 0.61 -0.02 0.72 0.86 0.00 0.00 177.93 180.12 2b8u n HIS 59 N -3.69 0.00 -0.28 2.45 8.25 -0.24 -4.43 115.22 117.28 2b8u n HIS 59 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 2b8u n HIS 59 Cb 0.63 0.00 0.28 0.00 1.12 0.00 0.00 29.99 32.02 2b8u n HIS 59 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2b8u h GLU 60 N 1.04 0.90 -0.15 -0.41 4.81 -1.38 -2.65 114.58 116.74 2b8u h GLU 60 Ca 0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2b8u h GLU 60 Cb 0.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2b8u h GLU 60 CO 0.00 0.60 -0.10 1.63 -0.73 0.00 0.00 179.01 180.40 2b8u n LYS 61 N -4.50 1.91 -2.45 1.92 5.02 -1.26 -4.88 118.16 113.92 2b8u n LYS 61 Ca 0.14 -2.91 -0.42 0.00 -2.02 0.00 0.00 58.31 53.09 2b8u n LYS 61 Cb 0.25 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 2b8u n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2b8u s ASP 62 N -2.61 7.04 0.62 4.39 -1.08 -1.00 -4.92 116.67 119.11 2b8u s ASP 62 Ca 0.39 1.83 0.38 0.00 -0.52 0.00 0.00 52.55 54.62 2b8u s ASP 62 Cb 0.34 -2.56 2.10 0.00 -1.46 0.00 0.00 42.92 41.34 2b8u s ASP 62 CO 0.02 -0.59 2.29 0.71 0.52 0.00 0.00 175.17 178.12 2b8u h THR 63 N 5.01 0.24 0.00 1.71 1.35 -1.95 0.62 112.91 119.89 2b8u h THR 63 Ca -0.34 -0.07 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 2b8u h THR 63 Cb 1.16 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2b8u h THR 63 CO 0.88 0.01 -0.12 0.03 -0.25 0.00 0.00 175.52 176.07 2b8u h ARG 64 N 0.00 0.00 0.00 4.72 3.08 -1.96 -3.32 114.38 116.90 2b8u h ARG 64 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2b8u h ARG 64 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2b8u h ARG 64 CO 0.00 0.12 -1.79 0.00 -1.07 0.00 0.00 179.97 177.23 2b8u h LEU 66 N 0.00 0.57 0.00 0.00 3.38 -1.44 -3.44 115.31 114.39 2b8u h LEU 66 Ca -0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2b8u h LEU 66 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2b8u h LEU 66 CO 0.01 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2b8u n GLY 67 N -0.99 2.26 0.12 0.83 0.00 -1.26 -3.75 105.19 102.40 2b8u n GLY 67 Ca 0.03 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 2b8u n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b8u n ALA 68 N 1.84 0.91 -2.14 4.61 0.00 -1.26 -4.74 120.51 119.73 2b8u n ALA 68 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.54 2b8u n ALA 68 Cb 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 19.45 19.04 2b8u n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b8u s THR 69 N -2.43 3.71 0.25 0.00 -4.23 -1.26 -4.91 115.64 106.78 2b8u s THR 69 Ca -0.30 -0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 2b8u s THR 69 Cb 0.08 -3.45 0.24 0.00 1.34 0.00 0.00 72.50 70.71 2b8u s THR 69 CO 0.60 -0.42 1.87 0.00 -0.54 0.00 0.00 174.62 176.13 2b8u h ALA 70 N -0.03 1.28 -0.52 3.99 0.00 -1.98 -0.58 119.26 121.42 2b8u h ALA 70 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2b8u h ALA 70 Cb 1.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2b8u h ALA 70 CO 0.60 0.37 0.08 0.37 0.00 0.00 0.00 179.25 180.66 2b8u h GLN 71 N 1.08 0.86 -0.56 0.00 4.15 -1.99 -0.00 115.11 118.65 2b8u h GLN 71 Ca 0.40 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.48 2b8u h GLN 71 Cb 0.16 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2b8u h GLN 71 CO -0.17 0.85 -0.07 1.96 -1.93 0.00 0.00 178.83 179.47 2b8u h GLN 72 N 0.74 1.04 -0.50 1.69 4.20 -1.82 -1.22 115.11 119.24 2b8u h GLN 72 Ca 0.16 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 2b8u h GLN 72 Cb 0.41 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2b8u h GLN 72 CO 0.01 1.06 0.12 0.35 -0.67 0.00 0.00 178.83 179.71 2b8u h PHE 73 N 0.92 0.83 -0.45 2.96 3.57 -0.88 -1.08 116.94 122.81 2b8u h PHE 73 Ca 0.15 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2b8u h PHE 73 Cb 0.64 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 2b8u h PHE 73 CO 0.04 0.74 0.22 1.25 -2.23 0.00 0.00 178.31 178.34 2b8u h HIS 74 N 0.68 0.40 -0.19 0.41 2.76 -0.76 -0.64 115.15 117.82 2b8u h HIS 74 Ca 0.16 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 2b8u h HIS 74 Cb 0.33 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 2b8u h HIS 74 CO 0.02 0.20 -0.36 0.00 -1.30 0.00 0.00 177.93 176.49 2b8u h ARG 75 N 0.44 0.41 0.10 5.26 3.08 -0.95 0.53 114.38 123.24 2b8u h ARG 75 Ca 0.20 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2b8u h ARG 75 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2b8u h ARG 75 CO -0.15 0.72 -0.05 1.25 -1.07 0.00 0.00 179.97 180.67 2b8u h HIS 76 N 0.35 -0.12 -0.95 3.04 2.76 -0.83 -0.02 115.15 119.39 2b8u h HIS 76 Ca 0.04 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2b8u h HIS 76 Cb 0.80 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.74 2b8u h HIS 76 CO 0.02 -0.00 0.62 0.87 -1.30 0.00 0.00 177.93 178.14 2b8u h LYS 77 N -0.21 1.18 -0.28 5.26 1.57 -0.78 -0.98 116.57 122.34 2b8u h LYS 77 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2b8u h LYS 77 Cb 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2b8u h LYS 77 CO 0.02 0.78 0.14 1.96 -0.57 0.00 0.00 179.45 181.78 2b8u h GLN 78 N 1.21 0.40 -0.36 3.15 4.20 -0.70 -0.59 115.11 122.41 2b8u h GLN 78 Ca 0.37 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 59.08 2b8u h GLN 78 Cb -0.03 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 2b8u h GLN 78 CO -0.11 0.37 0.06 1.25 -0.67 0.00 0.00 178.83 179.74 2b8u h LEU 79 N 0.32 -0.01 -0.37 1.46 5.85 -0.43 0.66 115.31 122.78 2b8u h LEU 79 Ca 0.10 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2b8u h LEU 79 Cb 0.10 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2b8u h LEU 79 CO -0.01 0.03 0.03 0.40 -0.34 0.00 0.00 178.44 178.54 2b8u h ILE 80 N 0.18 1.25 -0.63 4.05 1.08 -1.02 0.16 117.51 122.58 2b8u h ILE 80 Ca 0.17 -0.93 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 2b8u h ILE 80 Cb 0.21 1.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.05 2b8u h ILE 80 CO -0.24 0.31 0.38 -0.09 -0.69 0.00 0.00 178.15 177.83 2b8u h ARG 81 N 0.46 0.72 -0.23 2.37 2.43 -0.73 -0.58 114.38 118.83 2b8u h ARG 81 Ca 0.11 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 2b8u h ARG 81 Cb 0.42 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2b8u h ARG 81 CO 0.01 0.48 -0.53 0.74 -1.51 0.00 0.00 179.97 179.16 2b8u h PHE 82 N 0.75 0.85 -0.57 2.20 0.04 -0.60 -0.90 116.94 118.71 2b8u h PHE 82 Ca 0.26 -0.30 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 2b8u h PHE 82 Cb 0.05 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 2b8u h PHE 82 CO -0.06 1.06 0.34 -0.07 -0.60 0.00 0.00 178.31 178.99 2b8u h LEU 83 N 0.53 0.69 -0.87 1.54 3.38 -0.37 0.05 115.31 120.26 2b8u h LEU 83 Ca 0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2b8u h LEU 83 Cb 1.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2b8u h LEU 83 CO 0.11 0.55 0.46 0.11 0.09 0.00 0.00 178.44 179.76 2b8u h LYS 84 N 0.77 1.23 -0.56 1.13 1.57 -0.93 0.26 116.57 120.04 2b8u h LYS 84 Ca 0.20 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2b8u h LYS 84 Cb -0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2b8u h LYS 84 CO -0.04 0.91 0.15 -0.09 -0.57 0.00 0.00 179.45 179.81 2b8u h ARG 85 N 1.22 0.88 -0.65 3.15 2.43 -0.95 0.65 114.38 121.13 2b8u h ARG 85 Ca 0.30 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 2b8u h ARG 85 Cb 0.06 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2b8u h ARG 85 CO -0.05 0.82 0.08 1.25 -1.51 0.00 0.00 179.97 180.56 2b8u h LEU 86 N 0.79 1.05 -0.35 3.80 5.85 -0.75 -2.44 115.31 123.26 2b8u h LEU 86 Ca 0.18 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 2b8u h LEU 86 Cb 0.32 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2b8u h LEU 86 CO -0.00 1.06 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.29 2b8u h ASP 87 N 1.00 0.68 -0.37 1.25 3.58 -0.58 0.24 116.42 122.22 2b8u h ASP 87 Ca 0.19 -0.37 0.07 0.00 0.42 0.00 0.00 57.03 57.35 2b8u h ASP 87 Cb 0.47 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.27 2b8u h ASP 87 CO 0.02 0.89 -0.06 -0.09 -2.88 0.00 0.00 179.24 177.12 2b8u h ARG 88 N 0.46 0.03 -0.51 0.28 2.43 -0.73 -0.20 114.38 116.15 2b8u h ARG 88 Ca 0.09 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2b8u h ARG 88 Cb 0.60 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 2b8u h ARG 88 CO 0.04 0.02 0.24 -0.91 -1.51 0.00 0.00 179.97 177.85 2b8u h ASN 89 N 0.03 0.68 -0.49 -3.80 4.21 -1.15 -2.20 115.58 112.86 2b8u h ASN 89 Ca 0.18 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.56 2b8u h ASN 89 Cb 0.27 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 2b8u h ASN 89 CO -0.35 0.62 0.32 -0.07 -1.29 0.00 0.00 177.43 176.66 2b8u h LEU 90 N 0.68 0.56 -1.23 1.61 3.38 -0.39 -1.94 115.31 117.98 2b8u h LEU 90 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2b8u h LEU 90 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2b8u h LEU 90 CO -0.02 0.41 0.19 -0.50 0.09 0.00 0.00 178.44 178.61 2b8u h TRP 91 N 0.66 0.72 -0.41 1.13 -0.00 -1.00 0.99 115.95 118.04 2b8u h TRP 91 Ca 0.18 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.89 58.97 2b8u h TRP 91 Cb -0.07 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 28.84 2b8u h TRP 91 CO -0.04 0.57 -0.00 0.78 -0.00 0.00 0.00 178.44 179.75 2b8u h GLY 92 N 0.87 0.70 1.66 1.49 0.00 -0.91 -2.34 103.07 104.53 2b8u h GLY 92 Ca 0.17 -0.44 -0.24 0.00 0.00 0.00 0.00 47.33 46.82 2b8u h GLY 92 CO -0.01 0.41 -1.05 1.41 0.00 0.00 0.00 176.54 177.29 2b8u h LEU 93 N 0.62 0.40 -0.39 3.11 3.38 -0.54 -3.33 115.31 118.56 2b8u h LEU 93 Ca 0.13 -0.37 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 2b8u h LEU 93 Cb 0.39 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2b8u h LEU 93 CO 0.01 1.22 -0.36 0.00 0.09 0.00 0.00 178.44 179.40 2b8u h ALA 94 N 0.74 0.57 -6.28 1.53 0.00 -0.54 -3.47 119.26 111.81 2b8u h ALA 94 Ca -0.09 -0.44 -0.46 0.00 0.00 0.00 0.00 54.91 53.91 2b8u h ALA 94 Cb 1.73 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2b8u h ALA 94 CO 0.17 0.65 -0.80 0.41 0.00 0.00 0.00 179.25 179.68 2b8u n GLY 95 N 0.11 -0.39 3.59 0.00 0.00 -0.91 -4.82 105.19 102.76 2b8u n GLY 95 Ca -0.02 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2b8u n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b8u s LEU 96 N -7.04 -0.44 0.00 0.99 2.96 -1.26 -5.05 118.68 108.83 2b8u s LEU 96 Ca 0.37 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 2b8u s LEU 96 Cb -0.19 1.98 0.00 0.00 0.50 0.00 0.00 46.19 48.48 2b8u s LEU 96 CO 0.84 -0.33 0.00 -3.20 -1.32 0.00 0.00 176.35 172.34 2b8u n ASN 97 N 1.16 4.92 -4.49 3.68 5.15 -1.26 -4.85 115.26 119.57 2b8u n ASN 97 Ca -0.12 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.43 2b8u n ASN 97 Cb 0.57 0.87 -0.03 0.00 -0.53 0.00 0.00 39.78 40.67 2b8u n ASN 97 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2b8u s SER 98 N -2.20 6.60 -0.39 1.20 1.04 -1.26 -4.83 113.70 113.86 2b8u s SER 98 Ca 0.00 -1.87 0.03 0.00 0.48 0.00 0.00 55.95 54.59 2b8u s SER 98 Cb 0.00 -2.46 0.16 0.00 0.10 0.00 0.00 66.02 63.82 2b8u s SER 98 CO 0.00 -1.21 0.38 0.00 0.98 0.00 0.00 173.24 173.39 2b8u s PRO 100 N 0.97 4.18 -0.20 0.00 0.04 -1.26 -4.71 135.00 134.03 2b8u s PRO 100 Ca 0.22 2.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.68 2b8u s PRO 100 Cb -0.10 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 2b8u s PRO 100 CO -0.06 -0.47 0.01 0.14 0.04 0.00 0.00 177.00 176.65 2b8u s VAL 101 N -0.78 4.05 -1.55 -0.36 -7.23 -1.26 -5.01 120.40 108.26 2b8u s VAL 101 Ca 0.55 -0.28 0.14 0.00 -1.81 0.00 0.00 61.98 60.57 2b8u s VAL 101 Cb -0.45 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 33.73 2b8u s VAL 101 CO 0.56 0.43 0.87 0.29 -0.31 0.00 0.00 175.10 176.94 2b8u n LYS 102 N 4.14 1.27 -2.29 4.82 5.02 -1.26 -5.03 118.16 124.83 2b8u n LYS 102 Ca -0.17 -1.11 -0.37 0.00 -2.02 0.00 0.00 58.31 54.64 2b8u n LYS 102 Cb 0.52 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 34.28 2b8u n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2b8u s GLU 103 N -1.33 3.87 -0.17 1.97 8.01 -1.26 -4.96 118.70 124.83 2b8u s GLU 103 Ca 0.14 1.78 -0.24 0.00 0.01 0.00 0.00 54.97 56.66 2b8u s GLU 103 Cb 0.11 -2.49 -0.23 0.00 -4.31 0.00 0.00 34.13 27.22 2b8u s GLU 103 CO 0.23 -0.46 0.47 0.00 0.01 0.00 0.00 175.26 175.51 2b8u h ALA 104 N 2.24 0.15 -2.10 5.21 0.00 -1.96 -3.44 119.26 119.36 2b8u h ALA 104 Ca -0.49 -0.92 -0.60 0.00 0.00 0.00 0.00 54.91 52.90 2b8u h ALA 104 Cb 1.24 0.43 0.10 0.00 0.00 0.00 0.00 17.79 19.56 2b8u h ALA 104 CO 0.61 0.44 0.32 -1.71 0.00 0.00 0.00 179.25 178.91 2b8u n ASN 105 N -4.45 1.86 -4.64 0.00 5.15 -1.26 -4.83 115.26 107.08 2b8u n ASN 105 Ca -0.23 1.17 -0.34 0.00 -0.60 0.00 0.00 54.58 54.58 2b8u n ASN 105 Cb 0.62 -1.34 -0.10 0.00 -0.53 0.00 0.00 39.78 38.44 2b8u n ASN 105 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2b8u s GLN 106 N -1.18 2.83 0.28 1.20 -1.52 -1.26 -1.06 119.66 118.96 2b8u s GLN 106 Ca 0.62 -0.52 0.12 0.00 -1.95 0.00 0.00 55.36 53.63 2b8u s GLN 106 Cb -0.69 -2.68 -0.05 0.00 -0.22 0.00 0.00 33.01 29.37 2b8u s GLN 106 CO 0.57 0.67 -0.19 -1.54 -0.25 0.00 0.00 175.29 174.54 2b8u s SER 107 N -1.05 3.61 0.70 5.90 1.04 -0.01 -4.85 113.70 119.04 2b8u s SER 107 Ca 0.15 -1.03 -0.16 0.00 0.48 0.00 0.00 55.95 55.39 2b8u s SER 107 Cb -0.11 -0.31 0.02 0.00 0.10 0.00 0.00 66.02 65.71 2b8u s SER 107 CO 0.04 0.03 1.24 0.42 0.98 0.00 0.00 173.24 175.95 2b8u s THR 108 N -2.51 2.23 0.24 2.02 -4.23 -1.26 -0.40 115.64 111.73 2b8u s THR 108 Ca 0.30 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 2b8u s THR 108 Cb -0.05 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.20 2b8u s THR 108 CO 0.15 -0.05 1.90 0.25 -0.54 0.00 0.00 174.62 176.34 2b8u h LEU 109 N 0.05 1.05 -0.13 4.79 5.85 -0.75 -1.12 115.31 125.06 2b8u h LEU 109 Ca -0.49 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.25 2b8u h LEU 109 Cb 1.31 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2b8u h LEU 109 CO 0.51 0.74 -0.10 -0.08 -0.34 0.00 0.00 178.44 179.17 2b8u h GLU 110 N 1.23 -0.11 -0.72 1.25 4.81 -1.53 -0.13 114.58 119.38 2b8u h GLU 110 Ca 0.36 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.56 2b8u h GLU 110 Cb -0.06 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2b8u h GLU 110 CO -0.10 -0.07 0.27 -0.91 -0.73 0.00 0.00 179.01 177.47 2b8u h ASN 111 N -0.12 0.99 -0.40 1.04 -0.26 -1.77 -1.29 115.58 113.77 2b8u h ASN 111 Ca 0.08 -0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.64 2b8u h ASN 111 Cb 0.24 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 2b8u h ASN 111 CO -0.20 0.89 0.11 0.15 -1.06 0.00 0.00 177.43 177.31 2b8u h PHE 112 N 1.04 0.65 -0.72 1.19 3.04 -0.84 -1.22 116.94 120.10 2b8u h PHE 112 Ca 0.24 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 62.06 2b8u h PHE 112 Cb 0.22 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 2b8u h PHE 112 CO 0.02 0.62 0.21 -0.07 -2.02 0.00 0.00 178.31 177.06 2b8u h LEU 113 N 0.50 1.06 -0.74 0.59 3.38 -0.75 0.00 115.31 119.35 2b8u h LEU 113 Ca 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2b8u h LEU 113 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2b8u h LEU 113 CO -0.00 1.00 0.39 -0.33 0.09 0.00 0.00 178.44 179.58 2b8u h GLU 114 N 1.07 1.04 -0.43 1.13 4.39 -1.14 0.83 114.58 121.48 2b8u h GLU 114 Ca 0.23 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2b8u h GLU 114 Cb 0.33 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2b8u h GLU 114 CO -0.00 0.79 0.03 -0.09 -1.16 0.00 0.00 179.01 178.58 2b8u h ARG 115 N 1.02 0.74 -0.85 2.33 9.65 -0.88 -1.30 114.38 125.09 2b8u h ARG 115 Ca 0.26 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2b8u h ARG 115 Cb 0.07 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.53 2b8u h ARG 115 CO -0.04 0.80 0.48 1.25 2.80 0.00 0.00 179.97 185.26 2b8u h LEU 116 N 0.58 1.05 -0.76 3.80 5.85 -0.80 -1.55 115.31 123.48 2b8u h LEU 116 Ca 0.13 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2b8u h LEU 116 Cb 0.44 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2b8u h LEU 116 CO 0.02 0.83 0.35 0.50 -0.34 0.00 0.00 178.44 179.79 2b8u h LYS 117 N 1.19 1.11 -0.36 1.25 3.64 -0.55 0.06 116.57 122.91 2b8u h LYS 117 Ca 0.30 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2b8u h LYS 117 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 2b8u h LYS 117 CO -0.05 0.88 0.23 1.15 -2.27 0.00 0.00 179.45 179.38 2b8u h THR 118 N 1.08 1.06 -0.72 1.00 2.02 -0.50 0.76 112.91 117.61 2b8u h THR 118 Ca 0.26 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.29 2b8u h THR 118 Cb 0.15 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 2b8u h THR 118 CO -0.03 0.08 0.48 0.40 0.37 0.00 0.00 175.52 176.82 2b8u h ILE 119 N 0.46 1.18 -0.25 3.11 2.04 -1.00 -1.65 117.51 121.41 2b8u h ILE 119 Ca 0.14 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 2b8u h ILE 119 Cb -0.03 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.17 2b8u h ILE 119 CO -0.05 0.18 -0.40 0.24 0.00 0.00 0.00 178.15 178.12 2b8u h MET 120 N 0.98 0.71 -0.45 2.37 2.86 -0.70 -1.38 114.93 119.32 2b8u h MET 120 Ca 0.27 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2b8u h MET 120 Cb -0.11 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2b8u h MET 120 CO -0.06 1.05 0.28 0.00 1.06 0.00 0.00 176.91 179.24 2b8u h ARG 121 N 0.44 0.61 -0.33 1.72 3.08 -0.73 -1.02 114.38 118.15 2b8u h ARG 121 Ca 0.02 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 2b8u h ARG 121 Cb 0.99 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2b8u h ARG 121 CO 0.09 0.42 0.00 1.49 -1.07 0.00 0.00 179.97 180.91 2b8u h GLU 122 N 0.62 0.57 -0.38 0.04 4.57 -1.06 0.08 114.58 119.03 2b8u h GLU 122 Ca 0.16 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 2b8u h GLU 122 Cb -0.03 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 2b8u h GLU 122 CO -0.03 0.70 0.13 0.87 -1.18 0.00 0.00 179.01 179.50 2b8u h LYS 123 N 0.38 0.27 -0.21 1.92 1.57 -0.88 0.99 116.57 120.62 2b8u h LYS 123 Ca 0.09 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2b8u h LYS 123 Cb 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2b8u h LYS 123 CO 0.02 0.18 0.06 -0.92 -0.57 0.00 0.00 179.45 178.22 2b8u h TYR 124 N 0.28 0.11 -0.94 -1.35 5.03 -1.06 -1.51 116.97 117.53 2b8u h TYR 124 Ca 0.17 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.53 2b8u h TYR 124 Cb 0.16 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.36 2b8u h TYR 124 CO -0.15 0.05 0.61 1.03 -1.32 0.00 0.00 178.16 178.38 2b8u h SER 125 N 0.15 1.02 0.87 -2.11 0.87 -0.56 -0.82 113.55 112.97 2b8u h SER 125 Ca 0.09 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2b8u h SER 125 Cb 0.07 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2b8u h SER 125 CO -0.10 0.70 0.00 0.11 -0.53 0.00 0.00 176.83 177.00 2b8u h LYS 126 N 1.18 0.00 0.00 2.24 1.79 -0.15 -2.85 116.57 118.79 2b8u h LYS 126 Ca 0.38 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.61 2b8u h LYS 126 Cb 0.01 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 2b8u h LYS 126 CO -0.12 0.00 -1.42 0.00 -1.08 0.00 0.00 179.45 176.83 2b8u s SER 128 N -6.15 4.89 0.00 0.00 1.04 -0.85 -5.09 113.70 107.54 2b8u s SER 128 Ca -0.03 -0.75 0.11 0.00 0.48 0.00 0.00 55.95 55.76 2b8u s SER 128 Cb 0.08 -0.69 0.66 0.00 0.10 0.00 0.00 66.02 66.17 2b8u s SER 128 CO 0.81 -0.46 1.09 -1.54 0.98 0.00 0.00 173.24 174.13