#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b8x h LYS 2 N 0.00 0.00 -0.25 1.57 2.10 -2.04 -2.74 116.57 115.22 2b8x h LYS 2 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 2b8x h LYS 2 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 2b8x h LYS 2 CO 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 179.45 177.34 2b8x s ASP 4 N -2.54 4.36 0.13 0.00 -1.08 -1.03 -4.92 116.67 111.59 2b8x s ASP 4 Ca 0.42 2.33 0.14 0.00 -0.52 0.00 0.00 52.55 54.92 2b8x s ASP 4 Cb 0.37 -2.59 0.64 0.00 -1.46 0.00 0.00 42.92 39.88 2b8x s ASP 4 CO 0.01 -2.15 1.42 2.30 0.52 0.00 0.00 175.17 177.27 2b8x n ILE 5 N -2.59 1.29 -0.36 4.11 -5.35 -1.26 -1.44 119.36 113.77 2b8x n ILE 5 Ca 0.13 0.45 0.27 0.00 -0.27 0.00 0.00 62.75 63.34 2b8x n ILE 5 Cb 0.50 -1.38 0.55 0.00 -1.74 0.00 0.00 39.64 37.57 2b8x n ILE 5 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2b8x h THR 6 N 0.00 0.39 -0.80 7.28 2.02 -1.95 0.18 112.91 120.03 2b8x h THR 6 Ca 0.00 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.14 2b8x h THR 6 Cb 0.13 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.56 2b8x h THR 6 CO 0.00 0.05 0.48 -0.07 0.37 0.00 0.00 175.52 176.36 2b8x h LEU 7 N 0.29 0.75 -0.51 2.58 3.38 -1.61 0.70 115.31 120.89 2b8x h LEU 7 Ca 0.67 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.58 2b8x h LEU 7 Cb 1.84 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 2b8x h LEU 7 CO -0.34 0.48 0.04 -0.61 0.09 0.00 0.00 178.44 178.11 2b8x h GLN 8 N 0.88 0.88 -0.65 1.13 5.75 -0.89 -1.18 115.11 121.03 2b8x h GLN 8 Ca 0.35 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2b8x h GLN 8 Cb 0.18 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 2b8x h GLN 8 CO -0.17 0.89 0.41 0.93 -2.65 0.00 0.00 178.83 178.23 2b8x h GLU 9 N 0.75 0.78 -0.33 1.69 4.39 -0.71 0.11 114.58 121.27 2b8x h GLU 9 Ca 0.15 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2b8x h GLU 9 Cb 0.46 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 2b8x h GLU 9 CO 0.02 0.52 0.17 0.82 -1.16 0.00 0.00 179.01 179.38 2b8x h ILE 10 N 0.81 1.15 -0.49 3.13 2.04 -0.72 -2.08 117.51 121.34 2b8x h ILE 10 Ca 0.26 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 2b8x h ILE 10 Cb 0.00 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2b8x h ILE 10 CO -0.10 0.15 -0.00 0.40 0.00 0.00 0.00 178.15 178.60 2b8x h ILE 11 N 0.40 1.26 -0.54 -0.67 2.04 -0.75 -0.37 117.51 118.89 2b8x h ILE 11 Ca 0.11 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 64.97 2b8x h ILE 11 Cb 0.09 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2b8x h ILE 11 CO -0.02 0.38 0.20 0.50 0.00 0.00 0.00 178.15 179.21 2b8x h LYS 12 N 0.74 0.37 -0.46 2.37 3.64 -0.78 0.18 116.57 122.62 2b8x h LYS 12 Ca 0.14 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2b8x h LYS 12 Cb 0.52 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2b8x h LYS 12 CO 0.03 0.25 -0.24 1.15 -2.27 0.00 0.00 179.45 178.36 2b8x h THR 13 N 0.38 1.27 -0.45 1.00 2.02 -1.04 -2.19 112.91 113.90 2b8x h THR 13 Ca 0.26 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 2b8x h THR 13 Cb 0.29 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2b8x h THR 13 CO -0.26 0.48 0.14 -0.07 0.37 0.00 0.00 175.52 176.18 2b8x h LEU 14 N 0.83 0.61 -0.73 2.58 3.38 -0.57 0.52 115.31 121.93 2b8x h LEU 14 Ca 0.10 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2b8x h LEU 14 Cb 0.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2b8x h LEU 14 CO 0.07 0.59 0.04 0.78 0.09 0.00 0.00 178.44 180.01 2b8x h ASN 15 N 0.65 0.98 -0.30 -0.43 2.35 -0.29 -0.67 115.58 117.87 2b8x h ASN 15 Ca 0.15 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 2b8x h ASN 15 Cb 0.20 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2b8x h ASN 15 CO -0.01 1.01 -0.23 -1.28 -1.65 0.00 0.00 177.43 175.27 2b8x h SER 16 N 0.93 0.72 -0.93 5.81 0.87 -0.78 -2.95 113.55 117.23 2b8x h SER 16 Ca 0.18 -0.45 -0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2b8x h SER 16 Cb 0.49 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 2b8x h SER 16 CO 0.02 1.01 0.58 -0.07 -0.53 0.00 0.00 176.83 177.84 2b8x h LEU 17 N 0.43 1.10 0.00 2.23 3.38 -0.57 -2.80 115.31 119.08 2b8x h LEU 17 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2b8x h LEU 17 Cb 0.78 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2b8x h LEU 17 CO 0.06 0.83 -0.18 0.35 0.09 0.00 0.00 178.44 179.59 2b8x n THR 18 N -4.39 0.45 1.01 0.22 -2.24 -0.29 -2.35 114.28 106.69 2b8x n THR 18 Ca 0.10 -0.24 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2b8x n THR 18 Cb 0.04 -0.43 0.33 0.00 -2.10 0.00 0.00 70.33 68.18 2b8x n THR 18 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2b8x n GLU 19 N -2.12 0.02 -3.40 -0.78 0.28 -1.09 -4.82 120.64 108.73 2b8x n GLU 19 Ca 0.05 -0.01 -0.38 0.00 -0.16 0.00 0.00 57.16 56.66 2b8x n GLU 19 Cb 0.42 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.72 2b8x n GLU 19 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2b8x s GLN 20 N -2.99 4.18 -0.09 3.44 -0.21 -0.99 -5.07 119.66 117.93 2b8x s GLN 20 Ca 0.12 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.71 2b8x s GLN 20 Cb 0.18 -3.53 -0.02 0.00 1.00 0.00 0.00 33.01 30.64 2b8x s GLN 20 CO 0.66 -0.02 -0.11 0.21 -2.12 0.00 0.00 175.29 173.91 2b8x s LYS 21 N 1.24 2.92 0.09 2.91 2.47 -1.26 -4.99 119.74 123.12 2b8x s LYS 21 Ca 0.19 -0.63 0.02 0.00 -1.56 0.00 0.00 55.97 53.99 2b8x s LYS 21 Cb -0.15 -2.56 -0.01 0.00 -1.46 0.00 0.00 37.83 33.66 2b8x s LYS 21 CO 0.08 0.49 0.08 0.25 0.16 0.00 0.00 175.35 176.41 2b8x n THR 22 N 2.72 0.00 0.26 3.43 -2.24 -1.26 -5.02 114.28 112.17 2b8x n THR 22 Ca -0.18 -0.65 0.13 0.00 -2.27 0.00 0.00 64.05 61.08 2b8x n THR 22 Cb 0.53 0.33 0.72 0.00 -2.10 0.00 0.00 70.33 69.80 2b8x n THR 22 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2b8x h LEU 23 N 0.00 0.00 -2.48 3.22 3.38 -1.85 -3.33 115.31 114.24 2b8x h LEU 23 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2b8x h LEU 23 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2b8x h LEU 23 CO 0.09 0.12 -0.01 0.00 0.09 0.00 0.00 178.44 178.73 2b8x n THR 25 N -0.41 0.47 1.16 0.00 -2.24 -1.25 -1.58 114.28 110.42 2b8x n THR 25 Ca 0.01 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 2b8x n THR 25 Cb 0.33 -0.77 0.25 0.00 -2.10 0.00 0.00 70.33 68.05 2b8x n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2b8x n GLU 26 N -1.39 0.84 -1.31 -0.78 -0.58 -1.26 -1.41 120.64 114.74 2b8x n GLU 26 Ca 0.07 -0.57 -0.31 0.00 -0.42 0.00 0.00 57.16 55.94 2b8x n GLU 26 Cb 0.20 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.69 2b8x n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2b8x s LEU 27 N -2.55 2.77 0.34 -4.62 1.43 -0.62 -4.64 118.68 110.80 2b8x s LEU 27 Ca 0.21 1.64 0.07 0.00 -1.03 0.00 0.00 54.13 55.03 2b8x s LEU 27 Cb 0.19 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 2b8x s LEU 27 CO 0.56 -2.13 0.38 0.42 0.23 0.00 0.00 176.35 175.81 2b8x s THR 28 N -2.96 3.78 0.08 5.49 -4.23 -1.26 -0.91 115.64 115.62 2b8x s THR 28 Ca 0.61 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2b8x s THR 28 Cb -0.17 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 2b8x s THR 28 CO 0.56 -0.16 -0.05 0.68 -0.54 0.00 0.00 174.62 175.10 2b8x s VAL 29 N -2.25 0.50 0.13 2.29 -7.23 0.34 -4.78 120.40 109.40 2b8x s VAL 29 Ca 0.43 -1.80 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 2b8x s VAL 29 Cb -0.07 -1.50 -0.09 0.00 0.56 0.00 0.00 36.38 35.27 2b8x s VAL 29 CO 0.29 -0.87 1.51 -0.89 -0.31 0.00 0.00 175.10 174.82 2b8x s THR 30 N -3.49 2.95 -1.09 5.32 2.01 -1.26 -1.20 115.64 118.87 2b8x s THR 30 Ca 0.08 0.65 -0.21 0.00 0.31 0.00 0.00 61.69 62.52 2b8x s THR 30 Cb 0.05 -3.42 0.07 0.00 0.01 0.00 0.00 72.50 69.21 2b8x s THR 30 CO -0.06 0.04 1.49 -0.62 -0.69 0.00 0.00 174.62 174.79 2b8x s ASP 31 N 1.30 6.62 0.64 3.53 2.15 -0.31 -4.80 116.67 125.81 2b8x s ASP 31 Ca 0.68 -1.83 0.36 0.00 0.43 0.00 0.00 52.55 52.20 2b8x s ASP 31 Cb -0.40 -2.55 2.00 0.00 -0.30 0.00 0.00 42.92 41.67 2b8x s ASP 31 CO 0.31 -1.35 2.19 0.16 -0.17 0.00 0.00 175.17 176.30 2b8x h ILE 32 N 6.30 0.16 -0.05 4.11 3.07 -1.91 -1.48 117.51 127.71 2b8x h ILE 32 Ca 0.27 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.68 2b8x h ILE 32 Cb 0.97 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2b8x h ILE 32 CO 1.40 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.99 2b8x n PHE 33 N -3.27 0.06 1.33 0.16 3.72 -1.26 -3.43 117.46 114.76 2b8x n PHE 33 Ca -0.02 -0.03 0.14 0.00 -0.05 0.00 0.00 57.45 57.49 2b8x n PHE 33 Cb 0.21 0.00 0.57 0.00 -0.94 0.00 0.00 39.48 39.32 2b8x n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b8x n ALA 34 N -0.25 2.80 -1.32 4.37 0.00 -0.56 -4.89 120.51 120.65 2b8x n ALA 34 Ca 0.18 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 2b8x n ALA 34 Cb 0.23 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.44 2b8x n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2b8x s ALA 35 N -2.56 2.19 -1.50 0.00 0.00 -1.22 -4.89 121.76 113.78 2b8x s ALA 35 Ca 0.26 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 2b8x s ALA 35 Cb 0.20 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2b8x s ALA 35 CO 0.50 -1.74 2.99 -1.13 0.00 0.00 0.00 175.76 176.38 2b8x n SER 36 N -2.89 8.50 -3.39 0.00 3.41 -1.26 -4.95 113.62 113.05 2b8x n SER 36 Ca 0.11 -2.59 -0.42 0.00 -0.26 0.00 0.00 58.87 55.71 2b8x n SER 36 Cb 0.51 -1.54 -0.10 0.00 -0.26 0.00 0.00 64.21 62.82 2b8x n SER 36 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2b8x n LYS 37 N 3.41 0.00 -3.50 4.33 5.02 -1.26 -4.89 118.16 121.26 2b8x n LYS 37 Ca 0.76 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.70 2b8x n LYS 37 Cb 0.28 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 2b8x n LYS 37 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2b8x n ASN 38 N 6.58 4.37 -3.70 4.39 6.94 -1.26 -5.04 115.26 127.54 2b8x n ASN 38 Ca 0.46 -3.27 -0.11 0.00 -0.02 0.00 0.00 54.58 51.64 2b8x n ASN 38 Cb -0.01 -0.96 -0.11 0.00 -2.36 0.00 0.00 39.78 36.33 2b8x n ASN 38 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2b8x s THR 39 N -1.91 -0.03 0.92 5.53 2.01 -1.26 -5.13 115.64 115.77 2b8x s THR 39 Ca 0.31 0.10 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 2b8x s THR 39 Cb 0.01 -0.59 0.12 0.00 0.01 0.00 0.00 72.50 72.04 2b8x s THR 39 CO -0.06 0.04 0.96 0.35 -0.69 0.00 0.00 174.62 175.22 2b8x n THR 40 N 4.24 0.13 -0.31 -0.82 -2.24 -1.26 -4.78 114.28 109.24 2b8x n THR 40 Ca -0.23 -0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.52 2b8x n THR 40 Cb 0.55 -0.91 0.18 0.00 -2.10 0.00 0.00 70.33 68.05 2b8x n THR 40 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2b8x h GLU 41 N -1.75 0.85 -0.73 -0.78 4.81 -2.01 -1.82 114.58 113.15 2b8x h GLU 41 Ca -0.43 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 2b8x h GLU 41 Cb 1.28 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2b8x h GLU 41 CO 0.40 0.57 0.20 0.87 -0.73 0.00 0.00 179.01 180.31 2b8x h LYS 42 N 0.88 1.15 -0.16 1.92 1.57 -1.88 -1.71 116.57 118.34 2b8x h LYS 42 Ca 0.42 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 2b8x h LYS 42 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2b8x h LYS 42 CO -0.24 1.00 -0.42 0.93 -0.57 0.00 0.00 179.45 180.15 2b8x h GLU 43 N 1.09 0.36 -0.48 3.15 5.08 -1.75 -1.66 114.58 120.38 2b8x h GLU 43 Ca 0.23 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2b8x h GLU 43 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2b8x h GLU 43 CO -0.00 0.72 0.00 1.15 -1.00 0.00 0.00 179.01 179.88 2b8x h THR 44 N 0.30 1.26 -0.72 1.13 2.02 -0.98 -0.16 112.91 115.76 2b8x h THR 44 Ca 0.03 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 2b8x h THR 44 Cb 0.86 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2b8x h THR 44 CO 0.07 0.37 0.37 -0.26 0.37 0.00 0.00 175.52 176.44 2b8x h PHE 45 N 0.70 1.00 -0.68 3.16 0.04 -1.13 -1.25 116.94 118.77 2b8x h PHE 45 Ca 0.14 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2b8x h PHE 45 Cb 0.50 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 2b8x h PHE 45 CO 0.04 0.72 0.44 0.00 -0.60 0.00 0.00 178.31 178.91 2b8x h ARG 47 N 0.93 0.12 -0.64 0.00 3.08 -0.67 -0.37 114.38 116.84 2b8x h ARG 47 Ca 0.25 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 2b8x h ARG 47 Cb -0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 2b8x h ARG 47 CO -0.05 0.11 0.04 0.00 -1.07 0.00 0.00 179.97 179.00 2b8x h ALA 48 N 1.01 0.85 -0.25 0.04 0.00 -1.02 -2.53 119.26 117.37 2b8x h ALA 48 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2b8x h ALA 48 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2b8x h ALA 48 CO -0.01 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.71 2b8x h ALA 49 N 1.01 1.18 -0.18 0.00 0.00 -0.76 -2.20 119.26 118.31 2b8x h ALA 49 Ca 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2b8x h ALA 49 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2b8x h ALA 49 CO 0.02 0.52 -0.03 1.15 0.00 0.00 0.00 179.25 180.91 2b8x h THR 50 N 0.41 1.28 -0.08 0.00 2.02 -0.73 -1.58 112.91 114.22 2b8x h THR 50 Ca 0.07 -0.98 -0.12 0.00 0.77 0.00 0.00 66.41 66.14 2b8x h THR 50 Cb 0.60 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2b8x h THR 50 CO 0.04 0.30 -0.50 -0.37 0.37 0.00 0.00 175.52 175.36 2b8x h VAL 51 N 0.07 1.35 -0.12 3.16 -1.51 -1.30 -1.96 116.25 115.93 2b8x h VAL 51 Ca 0.05 -1.73 -0.19 0.00 -1.23 0.00 0.00 66.70 63.60 2b8x h VAL 51 Cb 0.46 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2b8x h VAL 51 CO 0.02 0.51 -0.72 -0.07 -1.23 0.00 0.00 177.57 176.08 2b8x h LEU 52 N 0.18 0.67 -0.80 4.19 3.38 -1.37 -1.03 115.31 120.52 2b8x h LEU 52 Ca 0.01 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2b8x h LEU 52 Cb 0.94 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2b8x h LEU 52 CO 0.08 1.19 0.34 -0.09 0.09 0.00 0.00 178.44 180.04 2b8x h ARG 53 N 0.40 1.19 -0.26 1.13 2.43 -1.09 -0.86 114.38 117.32 2b8x h ARG 53 Ca -0.03 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2b8x h ARG 53 Cb 1.31 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 2b8x h ARG 53 CO 0.13 0.95 0.11 1.96 -1.51 0.00 0.00 179.97 181.61 2b8x h GLN 54 N 1.16 0.23 0.32 0.20 4.20 -1.14 -1.14 115.11 118.93 2b8x h GLN 54 Ca 0.27 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2b8x h GLN 54 Cb 0.19 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2b8x h GLN 54 CO -0.03 0.15 -0.23 0.35 -0.67 0.00 0.00 178.83 178.40 2b8x h PHE 55 N 0.24 -0.61 -0.04 2.96 3.57 -0.58 -1.60 116.94 120.88 2b8x h PHE 55 Ca 0.11 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 2b8x h PHE 55 Cb 0.06 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2b8x h PHE 55 CO -0.11 -0.35 -0.58 0.10 -2.23 0.00 0.00 178.31 175.14 2b8x h TYR 56 N -0.55 0.15 -0.31 0.41 -0.00 -1.14 -0.69 116.97 114.84 2b8x h TYR 56 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 58.73 58.64 2b8x h TYR 56 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 36.73 37.16 2b8x h TYR 56 CO -0.12 0.67 0.16 0.77 -0.00 0.00 0.00 178.16 179.64 2b8x h SER 57 N 0.09 0.39 0.71 0.10 0.02 -1.16 -1.04 113.55 112.67 2b8x h SER 57 Ca -0.00 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.69 2b8x h SER 57 Cb 1.04 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2b8x h SER 57 CO 0.08 0.38 -0.73 0.45 -1.14 0.00 0.00 176.83 175.87 2b8x h HIS 58 N 0.38 0.02 -0.01 3.45 3.86 -1.01 -3.36 115.15 118.47 2b8x h HIS 58 Ca 0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2b8x h HIS 58 Cb 0.08 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2b8x h HIS 58 CO -0.03 0.74 -0.21 0.72 0.86 0.00 0.00 177.93 180.01 2b8x n HIS 59 N -3.68 0.00 -0.32 2.45 8.25 -0.29 -4.44 115.22 117.19 2b8x n HIS 59 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 2b8x n HIS 59 Cb 0.71 0.00 0.30 0.00 1.12 0.00 0.00 29.99 32.12 2b8x n HIS 59 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2b8x h GLU 60 N 1.26 0.83 -0.18 -0.41 4.81 -1.34 -2.41 114.58 117.14 2b8x h GLU 60 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2b8x h GLU 60 Cb 0.37 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2b8x h GLU 60 CO 0.00 0.55 -0.04 1.63 -0.73 0.00 0.00 179.01 180.42 2b8x n LYS 61 N -4.59 2.17 -2.47 1.92 4.76 -1.26 -4.87 118.16 113.81 2b8x n LYS 61 Ca 0.18 -2.84 -0.42 0.00 -2.87 0.00 0.00 58.31 52.35 2b8x n LYS 61 Cb 0.41 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.84 2b8x n LYS 61 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2b8x s ASP 62 N -2.40 7.08 0.61 4.39 -1.08 -0.91 -4.93 116.67 119.43 2b8x s ASP 62 Ca 0.39 1.84 0.38 0.00 -0.52 0.00 0.00 52.55 54.64 2b8x s ASP 62 Cb 0.33 -2.56 2.01 0.00 -1.46 0.00 0.00 42.92 41.24 2b8x s ASP 62 CO 0.05 -0.54 2.24 0.71 0.52 0.00 0.00 175.17 178.15 2b8x h THR 63 N 4.90 0.17 0.00 1.71 1.35 -1.96 -0.19 112.91 118.90 2b8x h THR 63 Ca -0.36 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2b8x h THR 63 Cb 1.17 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2b8x h THR 63 CO 0.86 0.02 0.00 0.03 -0.25 0.00 0.00 175.52 176.18 2b8x h ARG 64 N 0.00 0.00 0.00 4.72 3.08 -1.96 -3.34 114.38 116.88 2b8x h ARG 64 Ca -0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2b8x h ARG 64 Cb 0.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 2b8x h ARG 64 CO 0.00 0.00 -1.77 0.00 -1.07 0.00 0.00 179.97 177.13 2b8x h LEU 66 N 0.00 0.04 0.00 0.00 3.38 -1.49 -3.44 115.31 113.80 2b8x h LEU 66 Ca -0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2b8x h LEU 66 Cb 1.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2b8x h LEU 66 CO 0.02 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.43 2b8x n GLY 67 N -0.85 2.05 0.13 0.83 0.00 -1.26 -3.78 105.19 102.30 2b8x n GLY 67 Ca -0.02 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 2b8x n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b8x n ALA 68 N 1.90 0.96 -2.09 4.61 0.00 -1.26 -4.76 120.51 119.87 2b8x n ALA 68 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 53.44 52.53 2b8x n ALA 68 Cb 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.04 2b8x n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b8x s THR 69 N -2.47 3.13 0.18 0.00 -4.23 -1.26 -4.93 115.64 106.05 2b8x s THR 69 Ca -0.29 -0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 2b8x s THR 69 Cb 0.08 -3.18 0.09 0.00 1.34 0.00 0.00 72.50 70.83 2b8x s THR 69 CO 0.64 -0.13 1.77 0.00 -0.54 0.00 0.00 174.62 176.36 2b8x h ALA 70 N 0.14 0.64 -0.79 3.99 0.00 -1.98 -1.74 119.26 119.51 2b8x h ALA 70 Ca -0.44 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2b8x h ALA 70 Cb 1.28 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2b8x h ALA 70 CO 0.54 -0.15 0.38 0.37 0.00 0.00 0.00 179.25 180.40 2b8x h GLN 71 N 0.44 1.14 -0.58 0.00 4.15 -1.99 0.13 115.11 118.40 2b8x h GLN 71 Ca 0.23 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 2b8x h GLN 71 Cb 0.19 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2b8x h GLN 71 CO -0.20 0.88 0.10 1.96 -1.93 0.00 0.00 178.83 179.64 2b8x h GLN 72 N 1.12 0.95 -0.45 1.69 4.20 -1.84 -1.10 115.11 119.68 2b8x h GLN 72 Ca 0.27 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 2b8x h GLN 72 Cb 0.11 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2b8x h GLN 72 CO -0.03 0.90 -0.15 0.35 -0.67 0.00 0.00 178.83 179.22 2b8x h PHE 73 N 0.85 1.03 -0.53 2.96 3.57 -1.02 -0.91 116.94 122.88 2b8x h PHE 73 Ca 0.18 -0.23 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2b8x h PHE 73 Cb 0.41 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2b8x h PHE 73 CO 0.03 1.02 0.33 1.25 -2.23 0.00 0.00 178.31 178.70 2b8x h HIS 74 N 0.74 0.61 -0.22 0.41 2.76 -0.80 -0.84 115.15 117.81 2b8x h HIS 74 Ca 0.11 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 2b8x h HIS 74 Cb 0.71 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2b8x h HIS 74 CO 0.05 0.36 -0.32 0.00 -1.30 0.00 0.00 177.93 176.72 2b8x h ARG 75 N 0.65 0.47 -0.31 5.26 3.08 -0.90 -0.62 114.38 122.01 2b8x h ARG 75 Ca 0.21 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2b8x h ARG 75 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2b8x h ARG 75 CO -0.08 0.74 0.06 1.25 -1.07 0.00 0.00 179.97 180.87 2b8x h HIS 76 N 0.40 0.54 -0.70 3.04 2.76 -0.83 0.34 115.15 120.70 2b8x h HIS 76 Ca 0.05 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 2b8x h HIS 76 Cb 0.76 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.54 2b8x h HIS 76 CO 0.02 0.59 0.26 0.87 -1.30 0.00 0.00 177.93 178.37 2b8x h LYS 77 N 0.34 1.04 -0.60 5.26 1.57 -0.76 -0.87 116.57 122.56 2b8x h LYS 77 Ca 0.10 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2b8x h LYS 77 Cb 0.33 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2b8x h LYS 77 CO 0.00 0.86 0.16 0.37 -0.57 0.00 0.00 179.45 180.27 2b8x h GLN 78 N 1.01 0.95 -0.21 3.15 5.75 -0.94 -0.88 115.11 123.94 2b8x h GLN 78 Ca 0.23 -0.22 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2b8x h GLN 78 Cb 0.23 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 2b8x h GLN 78 CO -0.02 0.87 0.10 1.25 -2.65 0.00 0.00 178.83 178.38 2b8x h LEU 79 N 0.86 0.14 -0.52 -2.39 5.85 -0.22 -0.02 115.31 119.02 2b8x h LEU 79 Ca 0.19 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2b8x h LEU 79 Cb 0.34 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2b8x h LEU 79 CO 0.00 0.11 0.14 0.40 -0.34 0.00 0.00 178.44 178.75 2b8x h ILE 80 N 0.21 1.24 -0.52 4.05 1.08 -1.00 0.21 117.51 122.77 2b8x h ILE 80 Ca 0.09 -0.84 0.02 0.00 -0.39 0.00 0.00 64.86 63.74 2b8x h ILE 80 Cb 0.03 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 2b8x h ILE 80 CO -0.07 0.31 0.33 0.03 -0.69 0.00 0.00 178.15 178.05 2b8x h ARG 81 N 0.72 0.63 -0.23 2.37 3.08 -0.96 -0.66 114.38 119.34 2b8x h ARG 81 Ca 0.16 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 2b8x h ARG 81 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2b8x h ARG 81 CO -0.00 0.42 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.46 2b8x h ASP 82 N 0.65 0.58 -0.67 7.04 3.32 -0.73 -1.24 116.42 125.38 2b8x h ASP 82 Ca 0.20 -0.26 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 2b8x h ASP 82 Cb -0.01 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2b8x h ASP 82 CO -0.08 0.93 0.10 -0.07 -1.72 0.00 0.00 179.24 178.41 2b8x h LEU 83 N 0.45 1.07 -0.85 1.55 3.38 -0.57 -0.01 115.31 120.32 2b8x h LEU 83 Ca 0.04 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2b8x h LEU 83 Cb 0.92 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2b8x h LEU 83 CO 0.08 1.06 0.10 0.11 0.09 0.00 0.00 178.44 179.88 2b8x h LYS 84 N 1.04 0.96 -0.41 1.13 1.57 -0.95 0.59 116.57 120.49 2b8x h LYS 84 Ca 0.20 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2b8x h LYS 84 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2b8x h LYS 84 CO 0.01 0.88 0.01 -0.09 -0.57 0.00 0.00 179.45 179.69 2b8x h ARG 85 N 0.90 0.72 -0.37 3.15 2.43 -0.92 0.07 114.38 120.38 2b8x h ARG 85 Ca 0.19 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2b8x h ARG 85 Cb 0.39 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2b8x h ARG 85 CO 0.01 0.80 0.21 1.25 -1.51 0.00 0.00 179.97 180.73 2b8x h LEU 86 N 0.56 0.45 -0.34 3.80 5.85 -0.86 -2.40 115.31 122.36 2b8x h LEU 86 Ca 0.12 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2b8x h LEU 86 Cb 0.47 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2b8x h LEU 86 CO 0.02 0.40 0.13 -0.78 -0.34 0.00 0.00 178.44 177.86 2b8x h ASP 87 N 0.47 0.48 -0.61 1.25 3.58 -0.67 0.11 116.42 121.04 2b8x h ASP 87 Ca 0.13 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.49 2b8x h ASP 87 Cb 0.04 -0.13 -0.07 0.00 1.72 0.00 0.00 39.33 40.89 2b8x h ASP 87 CO -0.02 0.53 0.23 -0.09 -2.88 0.00 0.00 179.24 177.01 2b8x h ARG 88 N 0.40 0.40 -0.41 0.28 2.43 -0.85 -0.32 114.38 116.32 2b8x h ARG 88 Ca 0.11 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2b8x h ARG 88 Cb 0.21 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 2b8x h ARG 88 CO -0.01 0.27 0.01 -0.91 -1.51 0.00 0.00 179.97 177.82 2b8x h ASN 89 N 0.41 0.71 -0.58 -3.80 2.35 -1.12 -2.40 115.58 111.15 2b8x h ASN 89 Ca 0.31 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2b8x h ASN 89 Cb 0.37 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 2b8x h ASN 89 CO -0.30 0.84 0.38 -0.07 -1.65 0.00 0.00 177.43 176.62 2b8x h LEU 90 N 0.56 0.66 -1.22 1.61 3.38 -0.35 -1.93 115.31 118.01 2b8x h LEU 90 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2b8x h LEU 90 Cb 0.47 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2b8x h LEU 90 CO 0.02 0.47 0.00 -0.50 0.09 0.00 0.00 178.44 178.53 2b8x h TRP 91 N 0.78 0.55 -0.57 1.13 -0.00 -1.03 0.06 115.95 116.86 2b8x h TRP 91 Ca 0.22 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.89 59.02 2b8x h TRP 91 Cb -0.07 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 28.90 2b8x h TRP 91 CO -0.04 0.54 0.20 0.78 -0.00 0.00 0.00 178.44 179.92 2b8x h GLY 92 N 0.83 0.91 1.94 1.49 0.00 -0.89 -2.76 103.07 104.59 2b8x h GLY 92 Ca 0.11 -0.48 -0.22 0.00 0.00 0.00 0.00 47.33 46.74 2b8x h GLY 92 CO 0.01 0.45 -1.03 1.41 0.00 0.00 0.00 176.54 177.38 2b8x h LEU 93 N 0.83 0.07 -0.29 3.11 3.38 -0.59 -3.35 115.31 118.47 2b8x h LEU 93 Ca 0.19 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2b8x h LEU 93 Cb 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2b8x h LEU 93 CO -0.01 1.05 -0.21 0.00 0.09 0.00 0.00 178.44 179.35 2b8x h ALA 94 N 0.94 0.41 -2.62 1.53 0.00 -0.75 -3.46 119.26 115.33 2b8x h ALA 94 Ca -0.03 -0.36 -0.35 0.00 0.00 0.00 0.00 54.91 54.17 2b8x h ALA 94 Cb 1.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2b8x h ALA 94 CO 0.14 0.36 -0.46 0.41 0.00 0.00 0.00 179.25 179.70 2b8x n GLY 95 N 0.07 -0.36 3.58 0.00 0.00 -1.07 -4.75 105.19 102.65 2b8x n GLY 95 Ca -0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 2b8x n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2b8x s LEU 96 N -5.15 -0.20 -0.00 0.99 2.96 -1.26 -5.04 118.68 110.97 2b8x s LEU 96 Ca 0.02 0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2b8x s LEU 96 Cb -0.01 1.55 -0.07 0.00 0.50 0.00 0.00 46.19 48.16 2b8x s LEU 96 CO 0.02 -0.32 0.16 -3.20 -1.32 0.00 0.00 176.35 171.69 2b8x n ASN 97 N -0.01 2.38 -4.47 3.68 4.05 -1.26 -4.82 115.26 114.82 2b8x n ASN 97 Ca -0.03 -0.25 -0.43 0.00 0.45 0.00 0.00 54.58 54.32 2b8x n ASN 97 Cb 0.59 1.14 -0.03 0.00 1.23 0.00 0.00 39.78 42.72 2b8x n ASN 97 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2b8x s SER 98 N -2.16 6.59 -0.43 1.20 0.15 -1.26 -4.86 113.70 112.93 2b8x s SER 98 Ca -0.00 -1.90 0.05 0.00 0.70 0.00 0.00 55.95 54.79 2b8x s SER 98 Cb 0.04 -2.42 0.17 0.00 -1.71 0.00 0.00 66.02 62.09 2b8x s SER 98 CO 0.22 -1.14 0.50 0.00 1.20 0.00 0.00 173.24 174.01 2b8x n PRO 100 N 3.61 2.13 -3.81 0.00 -0.02 -1.26 -4.70 135.00 130.95 2b8x n PRO 100 Ca 0.17 0.75 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 2b8x n PRO 100 Cb 0.50 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.48 2b8x n PRO 100 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2b8x s VAL 101 N -0.56 4.35 -0.58 -1.45 -7.23 -1.26 -4.99 120.40 108.68 2b8x s VAL 101 Ca 0.62 -0.16 0.13 0.00 -1.81 0.00 0.00 61.98 60.75 2b8x s VAL 101 Cb -0.60 -3.02 -0.14 0.00 0.56 0.00 0.00 36.38 33.18 2b8x s VAL 101 CO 0.56 0.36 0.53 0.29 -0.31 0.00 0.00 175.10 176.52 2b8x n LYS 102 N 4.74 2.74 -1.79 4.82 4.01 -1.26 -5.04 118.16 126.37 2b8x n LYS 102 Ca -0.16 -0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.22 2b8x n LYS 102 Cb 0.52 -1.10 -0.00 0.00 -0.51 0.00 0.00 35.03 33.93 2b8x n LYS 102 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2b8x s GLU 103 N -2.22 4.10 -0.16 1.97 8.01 -1.26 -4.95 118.70 124.20 2b8x s GLU 103 Ca 0.04 2.58 -0.25 0.00 0.01 0.00 0.00 54.97 57.36 2b8x s GLU 103 Cb 0.10 -2.97 -0.22 0.00 -4.31 0.00 0.00 34.13 26.72 2b8x s GLU 103 CO 0.52 -0.55 0.56 0.00 0.01 0.00 0.00 175.26 175.80 2b8x h ALA 104 N 3.21 0.07 -1.63 5.21 0.00 -1.96 -3.45 119.26 120.72 2b8x h ALA 104 Ca -0.50 -0.67 -0.67 0.00 0.00 0.00 0.00 54.91 53.07 2b8x h ALA 104 Cb 1.24 0.22 0.08 0.00 0.00 0.00 0.00 17.79 19.32 2b8x h ALA 104 CO 0.66 0.20 0.21 -1.71 0.00 0.00 0.00 179.25 178.61 2b8x n ASN 105 N -4.57 1.06 -4.65 0.00 2.85 -1.26 -4.86 115.26 103.83 2b8x n ASN 105 Ca -0.16 1.14 -0.35 0.00 -0.11 0.00 0.00 54.58 55.11 2b8x n ASN 105 Cb 0.51 -1.17 -0.10 0.00 1.24 0.00 0.00 39.78 40.26 2b8x n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2b8x s GLN 106 N -0.34 2.95 0.27 1.20 -1.52 -1.26 -1.17 119.66 119.80 2b8x s GLN 106 Ca 0.75 -0.45 0.11 0.00 -1.95 0.00 0.00 55.36 53.83 2b8x s GLN 106 Cb -0.90 -2.75 -0.05 0.00 -0.22 0.00 0.00 33.01 29.09 2b8x s GLN 106 CO 0.53 0.67 -0.17 -1.54 -0.25 0.00 0.00 175.29 174.53 2b8x s SER 107 N -0.81 3.75 0.65 5.90 1.04 -0.34 -4.85 113.70 119.04 2b8x s SER 107 Ca 0.12 -0.95 -0.18 0.00 0.48 0.00 0.00 55.95 55.43 2b8x s SER 107 Cb -0.11 -0.39 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 2b8x s SER 107 CO 0.02 0.04 1.25 0.35 0.98 0.00 0.00 173.24 175.88 2b8x n THR 108 N -0.59 4.77 -0.34 2.02 -2.24 -1.26 -0.50 114.28 116.13 2b8x n THR 108 Ca -0.06 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.25 2b8x n THR 108 Cb 0.59 -1.44 0.17 0.00 -2.10 0.00 0.00 70.33 67.55 2b8x n THR 108 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2b8x h LEU 109 N 0.49 0.94 -0.21 3.22 5.85 -0.79 -1.32 115.31 123.48 2b8x h LEU 109 Ca -0.51 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.29 2b8x h LEU 109 Cb 1.34 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 2b8x h LEU 109 CO 0.52 0.59 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.98 2b8x h GLU 110 N 1.07 -0.14 -0.55 1.25 4.81 -1.51 0.12 114.58 119.62 2b8x h GLU 110 Ca 0.42 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.55 2b8x h GLU 110 Cb 0.21 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2b8x h GLU 110 CO -0.19 -0.09 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.03 2b8x h ASN 111 N -0.14 0.99 -0.47 1.04 -0.26 -1.74 -2.18 115.58 112.82 2b8x h ASN 111 Ca 0.12 -0.30 -0.01 0.00 -0.56 0.00 0.00 56.30 55.55 2b8x h ASN 111 Cb 0.33 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 2b8x h ASN 111 CO -0.30 1.08 0.24 0.15 -1.06 0.00 0.00 177.43 177.54 2b8x h PHE 112 N 0.91 0.65 -0.64 1.19 3.57 -0.89 -1.50 116.94 120.23 2b8x h PHE 112 Ca 0.15 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2b8x h PHE 112 Cb 0.61 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 2b8x h PHE 112 CO 0.04 0.50 0.16 -0.07 -2.23 0.00 0.00 178.31 176.71 2b8x h LEU 113 N 0.61 0.94 -0.79 0.59 3.38 -0.85 -0.58 115.31 118.60 2b8x h LEU 113 Ca 0.16 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2b8x h LEU 113 Cb 0.08 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2b8x h LEU 113 CO -0.02 0.90 0.11 -0.33 0.09 0.00 0.00 178.44 179.19 2b8x h GLU 114 N 0.95 1.02 -0.28 1.13 4.39 -1.19 -0.42 114.58 120.19 2b8x h GLU 114 Ca 0.20 -0.26 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2b8x h GLU 114 Cb 0.33 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2b8x h GLU 114 CO -0.00 0.93 -0.29 -0.09 -1.16 0.00 0.00 179.01 178.40 2b8x h ARG 115 N 0.96 0.69 -0.89 2.33 9.65 -0.97 -1.90 114.38 124.25 2b8x h ARG 115 Ca 0.19 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.74 2b8x h ARG 115 Cb 0.40 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 2b8x h ARG 115 CO 0.01 0.98 0.59 1.25 2.80 0.00 0.00 179.97 185.60 2b8x h LEU 116 N 0.43 0.97 -0.51 3.80 5.85 -0.93 -1.50 115.31 123.43 2b8x h LEU 116 Ca 0.04 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2b8x h LEU 116 Cb 0.87 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2b8x h LEU 116 CO 0.07 0.67 0.12 0.50 -0.34 0.00 0.00 178.44 179.47 2b8x h LYS 117 N 1.13 0.82 -0.57 1.25 3.64 -0.77 0.54 116.57 122.61 2b8x h LYS 117 Ca 0.35 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2b8x h LYS 117 Cb -0.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 2b8x h LYS 117 CO -0.10 0.78 0.33 1.15 -2.27 0.00 0.00 179.45 179.34 2b8x h THR 118 N 0.71 1.03 -0.64 1.00 2.02 -0.82 0.79 112.91 117.00 2b8x h THR 118 Ca 0.16 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2b8x h THR 118 Cb 0.33 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2b8x h THR 118 CO 0.00 0.12 0.27 0.40 0.37 0.00 0.00 175.52 176.68 2b8x h ILE 119 N 0.64 1.23 -0.29 3.11 2.04 -0.82 -1.59 117.51 121.84 2b8x h ILE 119 Ca 0.23 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 65.23 2b8x h ILE 119 Cb 0.06 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2b8x h ILE 119 CO -0.12 0.28 -0.49 0.24 0.00 0.00 0.00 178.15 178.06 2b8x h MET 120 N 0.89 0.81 -0.24 2.37 2.86 -0.41 -1.63 114.93 119.58 2b8x h MET 120 Ca 0.21 -0.48 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 2b8x h MET 120 Cb 0.18 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2b8x h MET 120 CO -0.02 1.11 -0.13 0.00 1.06 0.00 0.00 176.91 178.93 2b8x h ARG 121 N 0.64 0.39 -0.44 1.72 3.08 -0.74 -1.10 114.38 117.93 2b8x h ARG 121 Ca 0.03 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 2b8x h ARG 121 Cb 1.08 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2b8x h ARG 121 CO 0.11 0.52 -0.22 1.49 -1.07 0.00 0.00 179.97 180.80 2b8x h GLU 122 N 0.37 0.93 -0.66 0.04 4.57 -1.01 -0.31 114.58 118.51 2b8x h GLU 122 Ca 0.07 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2b8x h GLU 122 Cb 0.45 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2b8x h GLU 122 CO 0.03 1.06 0.33 0.87 -1.18 0.00 0.00 179.01 180.12 2b8x h LYS 123 N 0.76 0.93 -0.43 1.92 1.57 -0.82 -0.87 116.57 119.64 2b8x h LYS 123 Ca 0.10 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2b8x h LYS 123 Cb 0.79 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2b8x h LYS 123 CO 0.07 0.73 0.23 -0.92 -0.57 0.00 0.00 179.45 178.99 2b8x h TYR 124 N 0.90 0.59 -0.99 -1.35 5.03 -1.03 -2.10 116.97 118.02 2b8x h TYR 124 Ca 0.23 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.58 2b8x h TYR 124 Cb 0.09 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 38.12 2b8x h TYR 124 CO -0.00 0.45 0.64 1.03 -1.32 0.00 0.00 178.16 178.96 2b8x h SER 125 N 0.55 1.04 0.98 -2.11 0.87 -0.76 -1.39 113.55 112.72 2b8x h SER 125 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2b8x h SER 125 Cb 0.06 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2b8x h SER 125 CO -0.02 0.68 0.00 0.29 -0.53 0.00 0.00 176.83 177.25 2b8x n LYS 126 N -4.50 0.22 0.04 2.24 4.76 -0.36 -2.49 118.16 118.07 2b8x n LYS 126 Ca 0.14 0.35 0.01 0.00 -2.87 0.00 0.00 58.31 55.95 2b8x n LYS 126 Cb 0.15 -1.85 -0.08 0.00 -1.84 0.00 0.00 35.03 31.41 2b8x n LYS 126 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b8x s SER 128 N -5.74 5.56 0.00 0.00 0.15 -0.86 -5.09 113.70 107.72 2b8x s SER 128 Ca -0.03 -0.14 0.09 0.00 0.70 0.00 0.00 55.95 56.57 2b8x s SER 128 Cb 0.09 -1.45 0.53 0.00 -1.71 0.00 0.00 66.02 63.47 2b8x s SER 128 CO 0.81 0.04 0.98 -1.54 1.20 0.00 0.00 173.24 174.73