#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti n ALA 2 N 0.00 0.23 -2.07 0.62 0.00 -1.26 -5.09 120.51 112.94 1iti n ALA 2 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1iti n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1iti n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iti s GLU 3 N 0.00 4.07 0.07 0.00 2.56 -1.26 -4.95 118.70 119.19 1iti s GLU 3 Ca 0.00 2.00 -0.00 0.00 0.00 0.00 0.00 54.97 56.96 1iti s GLU 3 Cb 0.00 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 32.15 1iti s GLU 3 CO 0.00 -0.97 0.10 0.00 -0.56 0.00 0.00 175.26 173.82 1iti n ALA 4 N 7.51 -0.08 -2.28 6.30 0.00 -1.26 -5.12 120.51 125.58 1iti n ALA 4 Ca 0.18 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1iti n ALA 4 Cb 0.44 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 1iti n ALA 4 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1iti s HIS 5 N -4.73 3.30 -1.72 0.00 -3.43 -1.26 -4.85 115.29 102.60 1iti s HIS 5 Ca 0.06 1.09 0.00 0.00 -0.80 0.00 0.00 55.06 55.40 1iti s HIS 5 Cb -0.00 -3.57 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 1iti s HIS 5 CO 0.04 -1.92 0.47 1.17 -2.00 0.00 0.00 174.74 172.50 1iti n LYS 6 N 4.05 0.55 -1.55 -0.38 4.81 -1.26 -4.84 118.16 119.55 1iti n LYS 6 Ca 0.11 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.12 1iti n LYS 6 Cb 0.44 -1.08 -0.00 0.00 0.02 0.00 0.00 35.03 34.41 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iti s ASP 8 N -0.76 7.24 0.21 0.00 -1.08 -1.26 -4.95 116.67 116.07 1iti s ASP 8 Ca 0.62 1.47 0.22 0.00 -0.52 0.00 0.00 52.55 54.34 1iti s ASP 8 Cb -0.64 -2.47 0.01 0.00 -1.46 0.00 0.00 42.92 38.37 1iti s ASP 8 CO 0.58 0.08 1.07 -0.29 0.52 0.00 0.00 175.17 177.13 1iti h ILE 9 N 3.90 0.07 -0.24 4.11 2.10 -1.98 -3.36 117.51 122.11 1iti h ILE 9 Ca -0.45 -1.14 -0.01 0.00 1.08 0.00 0.00 64.86 64.34 1iti h ILE 9 Cb 1.21 1.62 -0.01 0.00 -1.09 0.00 0.00 36.82 38.55 1iti h ILE 9 CO 0.69 0.04 0.13 0.74 -1.08 0.00 0.00 178.15 178.68 1iti h THR 10 N 0.00 1.12 -0.03 2.19 2.02 -2.00 -0.87 112.91 115.34 1iti h THR 10 Ca -0.02 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1iti h THR 10 Cb 1.08 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1iti h THR 10 CO 0.01 0.12 0.17 -0.07 0.37 0.00 0.00 175.52 176.11 1iti h LEU 11 N 0.28 0.00 0.01 2.58 3.38 -1.97 0.07 115.31 119.66 1iti h LEU 11 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 11 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1iti h LEU 11 CO -0.01 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.90 1iti h GLN 12 N 0.00 -0.01 -0.24 1.13 4.15 -1.35 -2.76 115.11 116.02 1iti h GLN 12 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.51 1iti h GLN 12 Cb 0.36 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1iti h GLN 12 CO -0.00 -0.01 0.36 1.05 -1.93 0.00 0.00 178.83 178.30 1iti h GLU 13 N -0.25 0.00 0.35 1.69 -0.00 -1.28 -1.67 114.58 113.42 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1iti h GLU 13 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.77 1iti h GLU 13 CO 0.00 0.00 -0.17 0.82 -0.00 0.00 0.00 179.01 179.66 1iti h ILE 14 N 0.00 0.40 -0.55 -1.06 2.04 -1.06 -2.29 117.51 114.99 1iti h ILE 14 Ca 0.12 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.37 1iti h ILE 14 Cb 0.83 0.63 -0.11 0.00 -0.74 0.00 0.00 36.82 37.44 1iti h ILE 14 CO -0.00 0.09 -0.23 0.40 0.00 0.00 0.00 178.15 178.41 1iti h ILE 15 N -0.99 0.31 -0.86 -0.67 2.04 -1.00 0.52 117.51 116.86 1iti h ILE 15 Ca -0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1iti h ILE 15 Cb 0.51 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1iti h ILE 15 CO 0.08 0.00 0.56 0.11 0.00 0.00 0.00 178.15 178.90 1iti h LYS 16 N -0.10 0.73 -0.11 2.37 1.57 -1.53 -1.44 116.57 118.06 1iti h LYS 16 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1iti h LYS 16 Cb 0.49 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1iti h LYS 16 CO -0.61 0.48 0.04 1.15 -0.57 0.00 0.00 179.45 179.95 1iti h THR 17 N 0.75 1.14 -0.85 -0.16 2.02 0.59 -2.59 112.91 113.81 1iti h THR 17 Ca 0.41 -0.41 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1iti h THR 17 Cb 0.56 1.22 -0.11 0.00 -1.74 0.00 0.00 68.15 68.09 1iti h THR 17 CO -0.18 0.12 0.39 -0.07 0.37 0.00 0.00 175.52 176.16 1iti h LEU 18 N 0.02 0.41 0.05 2.58 3.38 -0.11 -0.60 115.31 121.04 1iti h LEU 18 Ca 0.04 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1iti h LEU 18 Cb 0.16 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1iti h LEU 18 CO -0.00 0.12 -0.10 0.78 0.09 0.00 0.00 178.44 179.33 1iti h ASN 19 N 0.51 -0.28 -1.00 -0.43 -0.26 -1.12 -1.62 115.58 111.38 1iti h ASN 19 Ca 0.49 0.04 0.26 0.00 -0.56 0.00 0.00 56.30 56.52 1iti h ASN 19 Cb 0.79 0.11 -0.13 0.00 -1.06 0.00 0.00 38.32 38.03 1iti h ASN 19 CO -0.43 -0.15 0.58 0.28 -1.06 0.00 0.00 177.43 176.65 1iti h SER 20 N -0.20 0.63 -0.46 5.81 0.02 -0.80 0.30 113.55 118.85 1iti h SER 20 Ca 0.02 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1iti h SER 20 Cb 0.22 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1iti h SER 20 CO -0.06 0.05 0.04 -0.07 -1.14 0.00 0.00 176.83 175.65 1iti h LEU 21 N 0.53 0.77 -2.72 5.07 3.38 -0.91 -2.10 115.31 119.32 1iti h LEU 21 Ca 0.66 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1iti h LEU 21 Cb 1.30 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1iti h LEU 21 CO -0.50 0.86 -0.00 0.71 0.09 0.00 0.00 178.44 179.59 1iti h THR 22 N 0.65 0.22 -0.01 0.22 1.35 0.21 -0.44 112.91 115.11 1iti h THR 22 Ca 0.14 -0.03 -0.16 0.00 -0.55 0.00 0.00 66.41 65.81 1iti h THR 22 Cb 0.44 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 1iti h THR 22 CO 0.02 0.00 -0.72 -0.33 -0.25 0.00 0.00 175.52 174.24 1iti h GLU 23 N 0.00 0.07 -6.14 4.72 5.08 -0.64 -3.43 114.58 114.22 1iti h GLU 23 Ca -0.00 -0.06 -0.59 0.00 -1.00 0.00 0.00 59.36 57.72 1iti h GLU 23 Cb 0.03 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1iti h GLU 23 CO 0.00 0.76 -0.19 -0.65 -1.00 0.00 0.00 179.01 177.93 1iti s GLN 24 N -3.42 3.86 -0.03 2.33 1.11 -0.18 -5.08 119.66 118.26 1iti s GLN 24 Ca -0.02 0.33 0.01 0.00 0.01 0.00 0.00 55.36 55.69 1iti s GLN 24 Cb 0.12 -3.04 0.02 0.00 -1.01 0.00 0.00 33.01 29.10 1iti s GLN 24 CO 0.79 0.57 -0.02 0.15 0.01 0.00 0.00 175.29 176.79 1iti s LYS 25 N -1.71 0.50 0.22 2.91 3.01 -1.26 -4.94 119.74 118.47 1iti s LYS 25 Ca 0.32 -0.03 -0.07 0.00 -1.01 0.00 0.00 55.97 55.18 1iti s LYS 25 Cb -0.15 -0.58 -0.02 0.00 -1.01 0.00 0.00 37.83 36.07 1iti s LYS 25 CO 0.17 -0.07 0.30 0.95 0.51 0.00 0.00 175.35 177.21 1iti s THR 26 N 0.76 0.00 -1.19 2.17 -4.23 -1.26 -5.00 115.64 106.89 1iti s THR 26 Ca -0.09 -1.70 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1iti s THR 26 Cb -0.12 -2.34 0.13 0.00 1.34 0.00 0.00 72.50 71.51 1iti s THR 26 CO -0.01 -0.01 1.29 0.00 -0.54 0.00 0.00 174.62 175.36 1iti n LEU 27 N -0.32 0.00 0.00 4.79 -0.00 -1.26 -1.75 117.00 118.46 1iti n LEU 27 Ca 0.00 0.40 0.09 0.00 -0.00 0.00 0.00 56.01 56.51 1iti n LEU 27 Cb 0.64 -0.40 0.40 0.00 -0.00 0.00 0.00 43.42 44.05 1iti n LEU 27 CO 0.28 -0.26 0.79 0.00 -0.00 0.00 0.00 177.39 178.20 1iti h THR 29 N 0.00 0.99 0.00 0.00 1.35 -1.76 -3.20 112.91 110.29 1iti h THR 29 Ca 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1iti h THR 29 Cb 0.31 2.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1iti h THR 29 CO 0.00 0.56 0.00 -0.62 -0.25 0.00 0.00 175.52 175.21 1iti n GLU 30 N -3.16 0.81 -3.47 4.72 -0.58 -1.02 -3.90 120.64 114.04 1iti n GLU 30 Ca -0.03 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.33 1iti n GLU 30 Cb 0.84 -1.08 -0.06 0.00 -0.57 0.00 0.00 31.44 30.57 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1iti s LEU 31 N -0.81 4.47 0.22 -4.62 1.43 -1.21 -4.99 118.68 113.17 1iti s LEU 31 Ca 0.00 0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 1iti s LEU 31 Cb 0.00 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 1iti s LEU 31 CO 0.00 0.30 0.58 0.42 0.23 0.00 0.00 176.35 177.88 1iti s THR 32 N -0.95 4.87 0.03 5.49 -4.23 -1.26 -2.95 115.64 116.63 1iti s THR 32 Ca 0.24 0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1iti s THR 32 Cb -0.17 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 1iti s THR 32 CO 0.14 0.00 -0.01 0.68 -0.54 0.00 0.00 174.62 174.89 1iti s VAL 33 N -1.74 0.14 0.35 2.29 -7.23 -0.62 -4.94 120.40 108.65 1iti s VAL 33 Ca 0.46 -1.12 -0.27 0.00 -1.81 0.00 0.00 61.98 59.24 1iti s VAL 33 Cb -0.12 -0.60 -0.12 0.00 0.56 0.00 0.00 36.38 36.10 1iti s VAL 33 CO 0.20 -0.61 1.11 0.41 -0.31 0.00 0.00 175.10 175.90 1iti n THR 34 N 1.19 2.17 -2.51 5.32 -1.04 -1.26 -2.28 114.28 115.86 1iti n THR 34 Ca -0.21 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.18 1iti n THR 34 Cb 0.57 -1.26 0.06 0.00 -1.82 0.00 0.00 70.33 67.87 1iti n THR 34 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1iti n ASP 35 N 0.79 0.74 0.00 8.00 2.03 -1.26 -4.73 116.55 122.12 1iti n ASP 35 Ca 0.08 -1.61 0.00 0.00 0.52 0.00 0.00 54.79 53.78 1iti n ASP 35 Cb 0.36 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1iti n ASP 35 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1iti n ILE 36 N -2.07 0.00 0.91 5.18 -5.35 -1.26 -4.76 119.36 112.01 1iti n ILE 36 Ca 0.08 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.69 1iti n ILE 36 Cb 0.30 0.00 0.55 0.00 -1.74 0.00 0.00 39.64 38.75 1iti n ILE 36 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1iti n PHE 37 N -0.98 0.00 0.05 4.28 3.72 -1.26 -2.76 117.46 120.51 1iti n PHE 37 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1iti n PHE 37 Cb 0.00 -0.47 0.24 0.00 -0.94 0.00 0.00 39.48 38.31 1iti n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iti n ALA 38 N -1.47 3.02 -2.02 4.37 0.00 -1.26 -4.05 120.51 119.09 1iti n ALA 38 Ca 0.07 -1.08 -0.05 0.00 0.00 0.00 0.00 53.44 52.38 1iti n ALA 38 Cb 0.28 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 1iti n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iti n ALA 39 N 0.61 3.24 -3.03 0.00 0.00 -1.11 -4.58 120.51 115.64 1iti n ALA 39 Ca 0.17 -0.61 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 1iti n ALA 39 Cb 0.68 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1iti n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iti s SER 40 N -0.80 6.29 0.00 0.00 0.15 -1.20 -4.92 113.70 113.22 1iti s SER 40 Ca 0.02 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.17 1iti s SER 40 Cb 0.02 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1iti s SER 40 CO -0.01 -1.16 0.00 0.29 1.20 0.00 0.00 173.24 173.56 1iti n LYS 41 N 6.57 0.00 -0.21 5.44 5.02 -1.26 -4.70 118.16 129.02 1iti n LYS 41 Ca -0.01 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1iti n LYS 41 Cb 0.45 0.00 0.24 0.00 -0.02 0.00 0.00 35.03 35.70 1iti n LYS 41 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1iti n ASP 42 N 0.00 2.50 -4.72 4.39 5.68 -1.26 -4.91 116.55 118.23 1iti n ASP 42 Ca 0.00 -1.95 -0.42 0.00 -0.50 0.00 0.00 54.79 51.92 1iti n ASP 42 Cb 0.00 -0.28 -0.03 0.00 -1.14 0.00 0.00 41.12 39.67 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1iti s THR 43 N -1.44 3.01 0.00 2.12 -4.23 -1.26 -5.01 115.64 108.83 1iti s THR 43 Ca 0.33 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 1iti s THR 43 Cb 0.17 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.54 1iti s THR 43 CO 0.24 0.07 0.00 0.35 -0.54 0.00 0.00 174.62 174.73 1iti n THR 44 N 3.72 0.00 -0.03 3.99 -2.24 -1.26 -4.92 114.28 113.54 1iti n THR 44 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1iti n THR 44 Cb 0.41 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 1iti n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 45 N 0.00 0.67 0.43 -0.78 -0.58 -1.26 -3.90 120.64 115.21 1iti n GLU 45 Ca 0.00 0.23 -0.18 0.00 -0.42 0.00 0.00 57.16 56.79 1iti n GLU 45 Cb 0.00 -1.72 -0.09 0.00 -0.57 0.00 0.00 31.44 29.06 1iti n GLU 45 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1iti h LYS 46 N 0.01 -1.05 0.00 3.49 1.79 -2.00 -1.56 116.57 117.25 1iti h LYS 46 Ca -0.37 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1iti h LYS 46 Cb 2.05 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.94 1iti h LYS 46 CO 0.06 -0.69 0.21 0.93 -1.08 0.00 0.00 179.45 178.88 1iti h GLU 47 N -1.20 0.00 0.03 3.15 5.08 -1.94 -2.26 114.58 117.45 1iti h GLU 47 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1iti h GLU 47 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1iti h GLU 47 CO 0.18 0.00 -0.01 1.15 -1.00 0.00 0.00 179.01 179.33 1iti h THR 48 N 0.00 0.00 -0.55 1.13 2.02 -1.42 -2.30 112.91 111.79 1iti h THR 48 Ca 0.00 -0.31 0.16 0.00 0.77 0.00 0.00 66.41 67.03 1iti h THR 48 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1iti h THR 48 CO 0.00 0.00 0.65 -0.26 0.37 0.00 0.00 175.52 176.28 1iti h PHE 49 N -0.35 0.00 0.17 3.16 0.04 -1.05 -1.38 116.94 117.52 1iti h PHE 49 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1iti h PHE 49 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1iti h PHE 49 CO 0.01 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.64 1iti h ARG 51 N -0.84 0.44 -0.03 0.00 3.08 -0.71 0.17 114.38 116.49 1iti h ARG 51 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1iti h ARG 51 Cb 0.17 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1iti h ARG 51 CO 0.04 0.29 0.01 0.00 -1.07 0.00 0.00 179.97 179.24 1iti h ALA 52 N 1.75 0.03 -0.77 0.04 0.00 -1.37 -2.61 119.26 116.34 1iti h ALA 52 Ca 0.63 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.53 1iti h ALA 52 Cb 1.26 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1iti h ALA 52 CO -0.53 -0.43 0.49 0.00 0.00 0.00 0.00 179.25 178.78 1iti h ALA 53 N 0.92 1.01 -0.54 0.00 0.00 -0.31 -2.12 119.26 118.23 1iti h ALA 53 Ca 0.01 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 1iti h ALA 53 Cb 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 1iti h ALA 53 CO -0.00 0.29 0.03 1.15 0.00 0.00 0.00 179.25 180.72 1iti h THR 54 N 0.95 0.60 0.59 0.00 2.02 -0.67 0.15 112.91 116.55 1iti h THR 54 Ca 0.31 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 1iti h THR 54 Cb 0.02 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1iti h THR 54 CO -0.11 0.03 -0.35 0.58 0.37 0.00 0.00 175.52 176.03 1iti h VAL 55 N 0.15 0.00 -1.16 3.16 2.07 -1.03 -1.63 116.25 117.81 1iti h VAL 55 Ca 0.28 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.13 1iti h VAL 55 Cb 0.42 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1iti h VAL 55 CO -0.43 0.00 0.81 -0.07 0.02 0.00 0.00 177.57 177.90 1iti h LEU 56 N -0.88 0.14 0.15 2.57 3.38 -1.11 -1.27 115.31 118.30 1iti h LEU 56 Ca -0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1iti h LEU 56 Cb 0.70 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1iti h LEU 56 CO 0.09 0.02 -0.08 -0.09 0.09 0.00 0.00 178.44 178.46 1iti h ARG 57 N 0.12 -0.21 0.00 1.13 2.43 0.24 -1.81 114.38 116.29 1iti h ARG 57 Ca 0.59 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 1iti h ARG 57 Cb 2.08 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1iti h ARG 57 CO -0.11 -0.14 0.00 0.00 -1.51 0.00 0.00 179.97 178.21 1iti n GLN 58 N -2.66 0.06 0.00 0.20 -0.00 -0.79 -1.78 117.38 112.41 1iti n GLN 58 Ca -0.03 0.23 0.00 0.00 -0.00 0.00 0.00 57.00 57.21 1iti n GLN 58 Cb 0.09 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.83 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1iti n PHE 59 N -1.27 0.00 0.18 2.61 7.35 -0.55 -2.71 117.46 123.07 1iti n PHE 59 Ca 0.02 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.76 1iti n PHE 59 Cb 0.03 -0.05 0.24 0.00 0.35 0.00 0.00 39.48 40.04 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1iti n TYR 60 N -0.81 0.23 0.01 -5.13 0.18 -0.89 0.30 117.16 111.04 1iti n TYR 60 Ca 0.00 0.11 -0.21 0.00 1.88 0.00 0.00 57.90 59.69 1iti n TYR 60 Cb 0.00 -0.68 -0.14 0.00 -0.38 0.00 0.00 39.34 38.14 1iti n TYR 60 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1iti h SER 61 N 0.00 0.37 0.07 9.48 0.02 -1.51 -3.14 113.55 118.83 1iti h SER 61 Ca 0.00 -0.88 -0.30 0.00 -0.84 0.00 0.00 61.79 59.77 1iti h SER 61 Cb 0.09 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1iti h SER 61 CO 0.00 1.50 -1.66 1.41 -1.14 0.00 0.00 176.83 176.94 1iti n HIS 62 N -4.06 1.13 0.19 3.45 8.25 -0.90 -4.17 115.22 119.11 1iti n HIS 62 Ca -0.21 0.35 -0.14 0.00 -0.26 0.00 0.00 57.72 57.45 1iti n HIS 62 Cb 0.84 -1.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.74 1iti n HIS 62 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iti h HIS 63 N -0.45 -0.55 0.00 4.41 3.86 -0.32 0.15 115.15 122.25 1iti h HIS 63 Ca -0.39 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1iti h HIS 63 Cb 1.69 0.20 0.00 0.00 1.06 0.00 0.00 27.41 30.36 1iti h HIS 63 CO 0.08 -0.32 0.48 1.49 0.86 0.00 0.00 177.93 180.53 1iti h GLU 64 N -0.50 0.00 0.00 2.45 4.81 -1.66 1.14 114.58 120.83 1iti h GLU 64 Ca -0.02 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.89 1iti h GLU 64 Cb 0.43 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1iti h GLU 64 CO 0.00 0.00 -1.94 1.17 -0.73 0.00 0.00 179.01 177.52 1iti n LYS 65 N -2.01 0.65 -2.10 1.92 3.00 0.00 -4.92 118.16 114.71 1iti n LYS 65 Ca -0.01 0.20 -0.34 0.00 -0.00 0.00 0.00 58.31 58.16 1iti n LYS 65 Cb 0.50 -1.70 0.02 0.00 0.00 0.00 0.00 35.03 33.84 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1iti s ASP 66 N -5.93 5.54 -0.39 3.14 -1.08 0.39 -4.92 116.67 113.43 1iti s ASP 66 Ca -0.07 2.10 0.02 0.00 -0.52 0.00 0.00 52.55 54.08 1iti s ASP 66 Cb 0.07 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.43 1iti s ASP 66 CO 0.82 -1.34 1.78 0.35 0.52 0.00 0.00 175.17 177.31 1iti n THR 67 N -1.67 2.83 0.00 1.71 -2.24 -1.26 -4.53 114.28 109.11 1iti n THR 67 Ca 0.11 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.20 1iti n THR 67 Cb 0.51 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iti n ARG 68 N -0.65 0.00 0.00 -0.78 1.74 -1.26 -3.03 116.66 112.68 1iti n ARG 68 Ca 0.46 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1iti n ARG 68 Cb 1.20 -0.54 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iti n LEU 70 N -1.17 1.89 0.00 0.00 4.77 -1.26 -4.74 117.00 116.49 1iti n LEU 70 Ca 0.00 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1iti n LEU 70 Cb 0.02 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 1iti n LEU 70 CO 0.00 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1iti n GLY 71 N 1.47 1.07 0.00 -0.72 0.00 -0.94 -4.07 105.19 102.00 1iti n GLY 71 Ca -0.22 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1iti n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iti n ALA 72 N 9.94 0.95 -0.79 4.61 0.00 -1.26 -4.97 120.51 128.99 1iti n ALA 72 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1iti n ALA 72 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 1iti n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iti n THR 73 N -1.01 0.00 0.50 0.00 -1.04 -1.26 -4.88 114.28 106.59 1iti n THR 73 Ca 0.00 -0.25 0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1iti n THR 73 Cb 0.00 -0.45 0.11 0.00 -1.82 0.00 0.00 70.33 68.17 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iti h ALA 74 N -1.64 0.50 0.00 2.41 0.00 -1.99 -3.25 119.26 115.28 1iti h ALA 74 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1iti h ALA 74 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1iti h ALA 74 CO 0.33 0.00 -0.78 -0.56 0.00 0.00 0.00 179.25 178.24 1iti h GLN 75 N 0.00 0.00 0.01 0.00 3.07 -1.97 -3.21 115.11 113.02 1iti h GLN 75 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.49 1iti h GLN 75 Cb 0.78 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.31 1iti h GLN 75 CO 0.00 0.50 -1.30 1.96 0.09 0.00 0.00 178.83 180.07 1iti h GLN 76 N 0.00 0.02 -0.45 0.06 4.20 -1.84 -2.51 115.11 114.60 1iti h GLN 76 Ca -0.04 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1iti h GLN 76 Cb 1.47 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 1iti h GLN 76 CO 0.07 0.83 0.02 0.35 -0.67 0.00 0.00 178.83 179.42 1iti h PHE 77 N 0.01 0.84 -0.01 2.96 3.57 -1.63 -1.45 116.94 121.23 1iti h PHE 77 Ca -0.13 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.13 1iti h PHE 77 Cb 1.88 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 40.41 1iti h PHE 77 CO 0.01 0.81 -0.37 1.25 -2.23 0.00 0.00 178.31 177.78 1iti h HIS 78 N 0.62 0.39 -0.05 0.41 2.76 -1.66 -1.68 115.15 115.95 1iti h HIS 78 Ca 0.13 -0.21 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1iti h HIS 78 Cb 0.46 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 1iti h HIS 78 CO 0.04 1.00 0.13 0.00 -1.30 0.00 0.00 177.93 177.79 1iti h ARG 79 N -0.33 0.00 0.01 5.26 2.47 -1.43 -2.02 114.38 118.34 1iti h ARG 79 Ca -0.04 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.48 1iti h ARG 79 Cb 1.09 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.39 1iti h ARG 79 CO 0.07 0.00 -1.07 1.25 0.56 0.00 0.00 179.97 180.79 1iti h HIS 80 N 0.00 0.03 -0.65 3.04 2.76 -1.16 -3.27 115.15 115.90 1iti h HIS 80 Ca 0.02 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1iti h HIS 80 Cb 0.28 -0.00 -0.10 0.00 1.55 0.00 0.00 27.41 29.14 1iti h HIS 80 CO 0.00 1.42 0.14 0.87 -1.30 0.00 0.00 177.93 179.06 1iti h LYS 81 N -0.95 0.25 -0.62 5.26 1.79 -0.79 0.28 116.57 121.79 1iti h LYS 81 Ca -0.29 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.18 1iti h LYS 81 Cb 1.29 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.85 1iti h LYS 81 CO -0.16 0.17 0.41 0.37 -1.08 0.00 0.00 179.45 179.16 1iti h GLN 82 N 0.26 0.77 0.55 3.15 4.15 -1.55 -1.21 115.11 121.23 1iti h GLN 82 Ca 0.35 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.70 1iti h GLN 82 Cb 0.55 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 28.08 1iti h GLN 82 CO -0.45 0.51 -0.26 1.25 -1.93 0.00 0.00 178.83 177.95 1iti h LEU 83 N 0.79 -0.62 -0.91 -2.39 6.46 -0.53 -2.68 115.31 115.43 1iti h LEU 83 Ca 0.24 0.02 0.23 0.00 -0.12 0.00 0.00 57.88 58.25 1iti h LEU 83 Cb -0.01 0.16 -0.13 0.00 -0.73 0.00 0.00 40.66 39.95 1iti h LEU 83 CO -0.06 -0.36 0.41 0.40 -0.62 0.00 0.00 178.44 178.20 1iti h ILE 84 N -0.90 0.46 -0.35 4.05 1.08 -1.17 0.95 117.51 121.63 1iti h ILE 84 Ca -0.08 -0.14 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 1iti h ILE 84 Cb 0.56 0.03 -0.08 0.00 -3.07 0.00 0.00 36.82 34.26 1iti h ILE 84 CO 0.12 0.07 -0.19 0.03 -0.69 0.00 0.00 178.15 177.49 1iti h ARG 85 N 0.40 -0.13 0.50 2.37 3.08 -1.09 0.61 114.38 120.11 1iti h ARG 85 Ca 0.57 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.62 1iti h ARG 85 Cb 1.11 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1iti h ARG 85 CO -0.54 -0.09 -0.32 0.74 -1.07 0.00 0.00 179.97 178.69 1iti h PHE 86 N -0.14 -0.86 -0.29 3.04 0.04 -0.49 -1.14 116.94 117.11 1iti h PHE 86 Ca 0.18 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.98 1iti h PHE 86 Cb 0.41 0.31 -0.07 0.00 2.20 0.00 0.00 35.95 38.80 1iti h PHE 86 CO -0.41 -0.49 -0.54 -0.07 -0.60 0.00 0.00 178.31 176.20 1iti h LEU 87 N -0.79 -1.78 -2.04 1.54 3.38 -0.84 1.18 115.31 115.96 1iti h LEU 87 Ca -0.06 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1iti h LEU 87 Cb 0.65 0.72 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1iti h LEU 87 CO 0.05 -0.44 0.33 0.11 0.09 0.00 0.00 178.44 178.58 1iti h LYS 88 N -0.48 0.00 0.00 1.13 1.57 -0.75 0.21 116.57 118.25 1iti h LYS 88 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1iti h LYS 88 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1iti h LYS 88 CO -0.53 0.00 -0.03 -0.09 -0.57 0.00 0.00 179.45 178.24 1iti h ARG 89 N 0.00 0.00 0.00 3.15 1.12 0.26 -3.31 114.38 115.60 1iti h ARG 89 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1iti h ARG 89 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 1iti h ARG 89 CO -0.00 0.00 0.00 1.47 -3.11 0.00 0.00 179.97 178.33 1iti n LEU 90 N -2.91 0.00 -0.03 3.80 -0.00 0.27 -1.94 117.00 116.19 1iti n LEU 90 Ca -0.00 0.36 -0.14 0.00 -0.00 0.00 0.00 56.01 56.23 1iti n LEU 90 Cb 0.01 -0.36 -0.10 0.00 -0.00 0.00 0.00 43.42 42.98 1iti n LEU 90 CO 0.01 -0.34 0.54 -0.78 -0.00 0.00 0.00 177.39 176.82 1iti h ASP 91 N 0.00 0.17 0.74 1.45 3.58 -0.68 -2.80 116.42 118.88 1iti h ASP 91 Ca 0.00 -0.60 -0.17 0.00 0.42 0.00 0.00 57.03 56.68 1iti h ASP 91 Cb 0.02 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1iti h ASP 91 CO 0.00 0.74 -0.79 0.03 -2.88 0.00 0.00 179.24 176.34 1iti h ARG 92 N -0.39 0.03 0.30 0.28 -0.00 -1.47 -2.66 114.38 110.47 1iti h ARG 92 Ca -0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1iti h ARG 92 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.68 1iti h ARG 92 CO 0.02 0.80 -0.27 -0.91 0.00 0.00 0.00 179.97 179.61 1iti h ASN 93 N 0.02 -0.72 0.67 7.04 4.21 -1.50 0.64 115.58 125.94 1iti h ASN 93 Ca -0.01 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 1iti h ASN 93 Cb 1.39 0.24 0.01 0.00 -1.12 0.00 0.00 38.32 38.84 1iti h ASN 93 CO 0.11 -0.40 -0.32 -0.07 -1.29 0.00 0.00 177.43 175.45 1iti h LEU 94 N -0.59 -0.77 0.00 1.61 3.38 -1.55 -1.95 115.31 115.44 1iti h LEU 94 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iti h LEU 94 Cb 0.54 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1iti h LEU 94 CO -0.04 -0.42 0.00 1.87 0.09 0.00 0.00 178.44 179.94 1iti n TRP 95 N -5.40 0.00 0.00 1.13 -0.00 -1.00 -3.05 117.44 109.11 1iti n TRP 95 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1iti n TRP 95 Cb 0.38 -0.14 0.00 0.00 -0.00 0.00 0.00 31.31 31.54 1iti n TRP 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iti n GLY 96 N -1.02 -0.58 0.00 5.87 0.00 0.22 -3.58 105.19 106.11 1iti n GLY 96 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1iti n GLY 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iti n LEU 97 N -1.92 0.00 0.00 0.99 -0.00 -1.17 -3.01 117.00 111.89 1iti n LEU 97 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1iti n LEU 97 CO 0.00 -0.07 0.05 0.00 -0.00 0.00 0.00 177.39 177.37 1iti n ALA 98 N -1.06 -0.04 -1.08 1.47 0.00 -1.18 -4.93 120.51 113.69 1iti n ALA 98 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1iti n ALA 98 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1iti n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iti n GLY 99 N 1.77 0.60 3.69 0.00 0.00 -1.16 -4.99 105.19 105.09 1iti n GLY 99 Ca 0.00 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1iti n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iti s LEU 100 N -0.65 4.23 0.00 0.99 1.43 -1.26 -4.99 118.68 118.43 1iti s LEU 100 Ca 0.00 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1iti s LEU 100 Cb 0.00 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1iti s LEU 100 CO 0.00 -0.23 0.00 0.59 0.23 0.00 0.00 176.35 176.94 1iti n ASN 101 N 4.48 0.00 -4.72 2.29 5.03 -1.26 -4.83 115.26 116.25 1iti n ASN 101 Ca 0.00 0.15 -0.41 0.00 0.87 0.00 0.00 54.58 55.19 1iti n ASN 101 Cb 0.50 -0.16 -0.04 0.00 -1.02 0.00 0.00 39.78 39.06 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1iti s SER 102 N -1.66 7.44 -0.44 6.41 0.15 -1.26 -4.96 113.70 119.39 1iti s SER 102 Ca 0.00 1.74 0.04 0.00 0.70 0.00 0.00 55.95 58.43 1iti s SER 102 Cb 0.00 -2.58 0.26 0.00 -1.71 0.00 0.00 66.02 61.99 1iti s SER 102 CO 0.00 -0.15 1.03 0.00 1.20 0.00 0.00 173.24 175.32 1iti s PRO 104 N 0.47 3.09 0.09 0.00 0.05 -1.26 -4.88 135.00 132.56 1iti s PRO 104 Ca 0.29 2.02 -0.12 0.00 0.05 0.00 0.00 61.00 63.24 1iti s PRO 104 Cb 0.23 -2.12 -0.06 0.00 0.05 0.00 0.00 34.50 32.60 1iti s PRO 104 CO -0.18 -1.17 0.46 0.54 0.05 0.00 0.00 177.00 176.70 1iti s VAL 105 N -1.43 4.99 0.00 -0.36 0.11 -1.26 -5.01 120.40 117.44 1iti s VAL 105 Ca 0.74 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 1iti s VAL 105 Cb -0.35 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 1iti s VAL 105 CO 0.40 0.32 0.00 0.29 -3.33 0.00 0.00 175.10 172.78 1iti n LYS 106 N 1.02 0.00 -3.09 1.54 4.76 -1.26 -5.12 118.16 116.01 1iti n LYS 106 Ca -0.08 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.27 1iti n LYS 106 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1iti n GLU 107 N 0.00 0.35 0.00 1.97 1.02 -1.26 -5.18 120.64 117.54 1iti n GLU 107 Ca 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1iti n GLU 107 Cb 0.00 1.58 0.00 0.00 -0.02 0.00 0.00 31.44 33.00 1iti n GLU 107 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iti n ALA 108 N -1.66 0.00 -1.00 0.62 0.00 -1.26 -4.74 120.51 112.47 1iti n ALA 108 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1iti n ALA 108 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1iti n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iti n ASP 109 N 0.00 0.00 -3.61 0.00 9.92 -1.26 -4.81 116.55 116.79 1iti n ASP 109 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1iti n ASP 109 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1iti s GLN 110 N 0.00 0.45 -0.03 -1.24 0.74 -1.26 -4.61 119.66 113.71 1iti s GLN 110 Ca 0.00 0.22 -0.11 0.00 0.05 0.00 0.00 55.36 55.52 1iti s GLN 110 Cb 0.00 0.21 0.02 0.00 1.10 0.00 0.00 33.01 34.34 1iti s GLN 110 CO 0.00 -0.12 0.23 -1.54 -0.55 0.00 0.00 175.29 173.32 1iti s SER 111 N -0.71 -0.13 0.49 6.67 1.04 -0.97 -4.78 113.70 115.32 1iti s SER 111 Ca 0.02 0.09 -0.18 0.00 0.48 0.00 0.00 55.95 56.35 1iti s SER 111 Cb -0.02 0.33 -0.08 0.00 0.10 0.00 0.00 66.02 66.34 1iti s SER 111 CO -0.03 -0.33 0.99 0.42 0.98 0.00 0.00 173.24 175.27 1iti s THR 112 N -0.98 4.31 0.44 2.02 -4.23 -1.26 -1.59 115.64 114.35 1iti s THR 112 Ca -0.11 1.25 0.11 0.00 -1.18 0.00 0.00 61.69 61.76 1iti s THR 112 Cb -0.05 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.46 1iti s THR 112 CO 0.02 -0.49 2.06 0.25 -0.54 0.00 0.00 174.62 175.92 1iti h LEU 113 N 1.25 0.32 0.00 4.79 5.85 -1.65 0.22 115.31 126.10 1iti h LEU 113 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1iti h LEU 113 Cb 1.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1iti h LEU 113 CO 0.61 0.23 0.00 1.21 -0.34 0.00 0.00 178.44 180.14 1iti n GLU 114 N -4.49 0.00 -0.30 1.25 2.13 -1.26 -2.14 120.64 115.83 1iti n GLU 114 Ca 0.03 0.46 0.13 0.00 0.66 0.00 0.00 57.16 58.44 1iti n GLU 114 Cb 0.15 -1.13 0.30 0.00 0.27 0.00 0.00 31.44 31.03 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1iti h ASN 115 N 0.00 0.27 -0.74 4.31 -0.26 -1.95 0.45 115.58 117.66 1iti h ASN 115 Ca 0.00 0.16 0.09 0.00 -0.56 0.00 0.00 56.30 55.99 1iti h ASN 115 Cb 0.00 0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.35 1iti h ASN 115 CO 0.00 -0.03 0.40 0.15 -1.06 0.00 0.00 177.43 176.89 1iti h PHE 116 N 0.36 0.72 0.00 1.19 3.04 -0.66 0.27 116.94 121.86 1iti h PHE 116 Ca 0.56 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.54 1iti h PHE 116 Cb 1.07 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1iti h PHE 116 CO -0.16 0.29 0.00 -0.07 -2.02 0.00 0.00 178.31 176.35 1iti h LEU 117 N 0.68 0.00 0.14 0.59 3.38 0.36 -2.55 115.31 117.92 1iti h LEU 117 Ca 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1iti h LEU 117 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1iti h LEU 117 CO -0.25 0.00 -0.07 -0.08 0.09 0.00 0.00 178.44 178.13 1iti h GLU 118 N 0.00 -0.19 -0.46 1.13 4.81 0.10 -2.74 114.58 117.25 1iti h GLU 118 Ca 0.00 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1iti h GLU 118 Cb 0.58 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1iti h GLU 118 CO 0.00 -0.11 0.30 0.07 -0.73 0.00 0.00 179.01 178.54 1iti h ARG 119 N -1.05 0.54 0.89 1.92 0.11 -1.35 -1.66 114.38 113.79 1iti h ARG 119 Ca -0.02 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1iti h ARG 119 Cb 0.16 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.13 1iti h ARG 119 CO 0.03 0.36 -0.43 1.25 0.10 0.00 0.00 179.97 181.28 1iti h LEU 120 N 0.56 -1.02 -1.27 0.08 6.46 -1.54 0.11 115.31 118.69 1iti h LEU 120 Ca 0.18 0.03 0.15 0.00 -0.12 0.00 0.00 57.88 58.12 1iti h LEU 120 Cb 0.02 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 1iti h LEU 120 CO -0.04 -0.69 0.58 0.50 -0.62 0.00 0.00 178.44 178.17 1iti h LYS 121 N -1.27 0.67 0.75 1.25 3.64 -1.22 -0.99 116.57 119.40 1iti h LYS 121 Ca -0.12 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1iti h LYS 121 Cb 0.92 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1iti h LYS 121 CO 0.20 0.44 -0.36 1.15 -2.27 0.00 0.00 179.45 178.61 1iti h THR 122 N 0.69 0.01 -0.86 1.00 2.02 -0.95 -2.75 112.91 112.06 1iti h THR 122 Ca 0.47 -0.26 0.21 0.00 0.77 0.00 0.00 66.41 67.59 1iti h THR 122 Cb 0.77 0.01 -0.12 0.00 -1.74 0.00 0.00 68.15 67.07 1iti h THR 122 CO -0.22 0.00 0.34 0.40 0.37 0.00 0.00 175.52 176.41 1iti h ILE 123 N -1.27 0.48 0.09 3.11 2.04 -0.30 -1.31 117.51 120.34 1iti h ILE 123 Ca -0.10 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1iti h ILE 123 Cb 0.78 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1iti h ILE 123 CO 0.17 0.07 -0.42 0.24 0.00 0.00 0.00 178.15 178.21 1iti h MET 124 N 0.37 -0.57 -0.11 2.37 2.86 -1.08 0.40 114.93 119.16 1iti h MET 124 Ca 0.53 0.04 0.03 0.00 -2.06 0.00 0.00 59.70 58.24 1iti h MET 124 Cb 0.98 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1iti h MET 124 CO -0.53 -0.38 0.38 0.00 1.06 0.00 0.00 176.91 177.44 1iti h ARG 125 N -0.60 0.00 0.23 1.72 3.08 -0.97 0.29 114.38 118.14 1iti h ARG 125 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1iti h ARG 125 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1iti h ARG 125 CO -0.23 0.00 -0.11 1.49 -1.07 0.00 0.00 179.97 180.05 1iti h GLU 126 N 0.00 -0.30 0.00 0.04 4.22 0.49 -3.25 114.58 115.78 1iti h GLU 126 Ca 0.05 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.51 1iti h GLU 126 Cb 0.81 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1iti h GLU 126 CO -0.00 -0.20 0.00 0.87 -2.18 0.00 0.00 179.01 177.50 1iti h LYS 127 N -0.74 0.00 0.00 1.92 1.57 -0.62 -2.27 116.57 116.44 1iti h LYS 127 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 127 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1iti h LYS 127 CO 0.05 0.00 0.00 0.98 -0.57 0.00 0.00 179.45 179.91 1iti n TYR 128 N -3.01 0.00 -0.93 -1.35 9.36 0.98 -3.58 117.16 118.63 1iti n TYR 128 Ca -0.01 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.10 1iti n TYR 128 Cb 0.21 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.82 1iti n TYR 128 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iti n SER 129 N -0.86 5.46 0.00 2.98 2.88 -0.86 -4.42 113.62 118.81 1iti n SER 129 Ca 0.04 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 1iti n SER 129 Cb 0.02 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.17 1iti n SER 129 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1iti n LYS 130 N 1.97 0.00 -0.52 -1.46 2.85 -1.23 -4.81 118.16 114.95 1iti n LYS 130 Ca 0.32 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.64 1iti n LYS 130 Cb 0.76 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 35.40 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti n SER 132 N 0.53 -0.93 0.00 0.00 3.41 -1.26 -4.93 113.62 110.45 1iti n SER 132 Ca 0.18 -2.82 0.15 0.00 -0.26 0.00 0.00 58.87 56.12 1iti n SER 132 Cb 0.78 0.15 0.88 0.00 -0.26 0.00 0.00 64.21 65.76 1iti n SER 132 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34