#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 -0.50 -2.80 0.62 0.00 -1.26 -4.85 120.51 111.72 1iti n ALA 2 Ca 0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1iti n ALA 2 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 1iti n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iti s GLU 3 N -2.50 3.15 0.00 0.00 2.02 -1.26 -4.40 118.70 115.71 1iti s GLU 3 Ca 0.06 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1iti s GLU 3 Cb -0.01 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1iti s GLU 3 CO 0.05 -1.35 0.00 0.00 0.02 0.00 0.00 175.26 173.99 1iti n ALA 4 N 6.51 0.00 -3.08 5.21 0.00 -1.26 -5.04 120.51 122.85 1iti n ALA 4 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.94 1iti n ALA 4 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1iti n ALA 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iti n HIS 5 N -0.11 5.07 -0.31 0.00 8.25 -1.26 -4.85 115.22 122.01 1iti n HIS 5 Ca 0.00 -3.55 0.00 0.00 -0.26 0.00 0.00 57.72 53.91 1iti n HIS 5 Cb 0.00 -2.02 0.00 0.00 1.12 0.00 0.00 29.99 29.09 1iti n HIS 5 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1iti n LYS 6 N 4.59 0.78 -1.64 -0.41 2.85 -1.26 -4.90 118.16 118.18 1iti n LYS 6 Ca 0.32 0.00 -0.52 0.00 -1.05 0.00 0.00 58.31 57.06 1iti n LYS 6 Cb 0.41 -1.11 -0.06 0.00 -0.65 0.00 0.00 35.03 33.63 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s ASP 8 N 1.59 7.19 0.28 0.00 -1.08 -1.26 -4.91 116.67 118.48 1iti s ASP 8 Ca 0.88 1.62 0.20 0.00 -0.52 0.00 0.00 52.55 54.73 1iti s ASP 8 Cb -0.92 -2.56 0.11 0.00 -1.46 0.00 0.00 42.92 38.09 1iti s ASP 8 CO 0.51 -0.48 1.29 -0.29 0.52 0.00 0.00 175.17 176.71 1iti h ILE 9 N 5.06 0.25 -0.73 4.11 2.10 -2.01 -3.31 117.51 122.97 1iti h ILE 9 Ca -0.32 -1.40 -0.02 0.00 1.08 0.00 0.00 64.86 64.20 1iti h ILE 9 Cb 1.15 1.94 -0.03 0.00 -1.09 0.00 0.00 36.82 38.79 1iti h ILE 9 CO 0.86 0.14 0.37 0.74 -1.08 0.00 0.00 178.15 179.18 1iti h THR 10 N 0.00 1.23 0.00 2.19 2.02 -2.00 -1.33 112.91 115.02 1iti h THR 10 Ca -0.03 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1iti h THR 10 Cb 1.17 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1iti h THR 10 CO 0.02 0.27 -0.06 -0.07 0.37 0.00 0.00 175.52 176.05 1iti h LEU 11 N 1.02 0.00 0.09 2.58 3.38 -1.99 0.31 115.31 120.69 1iti h LEU 11 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1iti h LEU 11 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iti h LEU 11 CO -0.03 0.06 -0.04 -0.61 0.09 0.00 0.00 178.44 177.90 1iti h GLN 12 N 0.00 -0.11 -0.75 1.13 4.15 -1.40 -2.72 115.11 115.41 1iti h GLN 12 Ca -0.00 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.58 1iti h GLN 12 Cb 0.14 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 1iti h GLN 12 CO 0.01 -0.07 0.50 1.05 -1.93 0.00 0.00 178.83 178.39 1iti h GLU 13 N -0.33 0.37 0.31 1.69 4.11 -1.44 -1.49 114.58 117.80 1iti h GLU 13 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 1iti h GLU 13 Cb 0.09 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iti h GLU 13 CO 0.02 0.25 -0.18 0.82 0.07 0.00 0.00 179.01 179.99 1iti h ILE 14 N 0.38 0.63 -0.40 -1.06 2.04 -1.01 -2.24 117.51 115.85 1iti h ILE 14 Ca 0.37 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.28 1iti h ILE 14 Cb 0.89 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1iti h ILE 14 CO -0.11 0.00 0.14 0.40 0.00 0.00 0.00 178.15 178.58 1iti h ILE 15 N -0.46 0.87 -0.97 -0.67 2.04 -0.95 -1.02 117.51 116.36 1iti h ILE 15 Ca -0.03 -0.10 0.21 0.00 1.00 0.00 0.00 64.86 65.94 1iti h ILE 15 Cb 0.37 0.55 -0.12 0.00 -0.74 0.00 0.00 36.82 36.89 1iti h ILE 15 CO 0.04 0.05 0.55 0.50 0.00 0.00 0.00 178.15 179.30 1iti h LYS 16 N 0.30 0.59 -0.16 2.37 1.63 -1.12 -0.04 116.57 120.14 1iti h LYS 16 Ca 0.19 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1iti h LYS 16 Cb 0.17 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1iti h LYS 16 CO -0.19 0.39 -0.07 1.15 -3.45 0.00 0.00 179.45 177.28 1iti h THR 17 N 0.61 1.31 -0.88 1.00 2.02 -0.62 -2.74 112.91 113.61 1iti h THR 17 Ca 0.59 -1.10 0.22 0.00 0.77 0.00 0.00 66.41 66.89 1iti h THR 17 Cb 1.03 1.71 -0.13 0.00 -1.74 0.00 0.00 68.15 69.02 1iti h THR 17 CO -0.44 0.33 0.34 -0.07 0.37 0.00 0.00 175.52 176.04 1iti h LEU 18 N 0.00 0.23 0.62 2.58 3.38 -0.20 0.38 115.31 122.30 1iti h LEU 18 Ca 0.04 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1iti h LEU 18 Cb 0.54 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1iti h LEU 18 CO 0.02 -0.05 -0.30 0.78 0.09 0.00 0.00 178.44 178.99 1iti h ASN 19 N 0.34 -0.71 -1.03 -0.43 2.35 -1.28 -2.64 115.58 112.18 1iti h ASN 19 Ca 0.55 -0.02 0.27 0.00 -0.55 0.00 0.00 56.30 56.55 1iti h ASN 19 Cb 1.06 0.18 -0.12 0.00 0.05 0.00 0.00 38.32 39.49 1iti h ASN 19 CO -0.56 -0.37 0.63 0.28 -1.65 0.00 0.00 177.43 175.76 1iti h SER 20 N -1.06 0.57 0.13 5.81 0.02 -0.95 0.84 113.55 118.89 1iti h SER 20 Ca -0.09 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1iti h SER 20 Cb 0.69 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1iti h SER 20 CO 0.14 0.04 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.71 1iti h LEU 21 N 0.46 -0.25 -0.80 5.07 3.38 -0.73 -2.35 115.31 120.09 1iti h LEU 21 Ca 0.66 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.82 1iti h LEU 21 Cb 1.45 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 1iti h LEU 21 CO -0.45 -0.16 0.30 0.71 0.09 0.00 0.00 178.44 178.94 1iti h THR 22 N -0.23 0.57 -0.63 0.22 1.35 -0.48 0.60 112.91 114.30 1iti h THR 22 Ca -0.00 -0.13 0.18 0.00 -0.55 0.00 0.00 66.41 65.90 1iti h THR 22 Cb 0.21 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 66.75 1iti h THR 22 CO -0.01 0.07 0.49 -0.33 -0.25 0.00 0.00 175.52 175.49 1iti h GLU 23 N 0.39 0.00 -6.20 4.72 4.39 -1.09 -3.39 114.58 113.41 1iti h GLU 23 Ca 0.46 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.59 1iti h GLU 23 Cb 0.77 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.38 1iti h GLU 23 CO -0.47 0.00 -0.01 -0.65 -1.16 0.00 0.00 179.01 176.72 1iti s GLN 24 N -4.91 4.27 -0.01 2.33 -1.52 0.21 -5.07 119.66 114.96 1iti s GLN 24 Ca -0.05 0.77 0.01 0.00 -1.95 0.00 0.00 55.36 54.14 1iti s GLN 24 Cb 0.19 -3.28 0.01 0.00 -0.22 0.00 0.00 33.01 29.71 1iti s GLN 24 CO 0.71 0.52 -0.02 0.15 -0.25 0.00 0.00 175.29 176.40 1iti s LYS 25 N -0.74 0.27 0.23 2.91 -0.14 -1.26 -4.96 119.74 116.05 1iti s LYS 25 Ca 0.30 -0.05 -0.08 0.00 -1.36 0.00 0.00 55.97 54.79 1iti s LYS 25 Cb -0.19 -0.33 -0.02 0.00 -1.68 0.00 0.00 37.83 35.61 1iti s LYS 25 CO 0.19 -0.01 0.33 0.95 -0.76 0.00 0.00 175.35 176.05 1iti s THR 26 N 0.31 0.00 0.34 2.17 -4.23 -1.26 -5.01 115.64 107.96 1iti s THR 26 Ca -0.03 -1.67 0.38 0.00 -1.18 0.00 0.00 61.69 59.20 1iti s THR 26 Cb -0.06 -2.34 0.42 0.00 1.34 0.00 0.00 72.50 71.86 1iti s THR 26 CO -0.01 0.00 2.15 0.17 -0.54 0.00 0.00 174.62 176.39 1iti h LEU 27 N 2.41 0.00 0.00 4.79 8.10 -1.95 -2.12 115.31 126.54 1iti h LEU 27 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.69 1iti h LEU 27 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.47 1iti h LEU 27 CO 0.43 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.76 1iti n THR 29 N -1.20 0.34 0.25 0.00 -2.24 -0.80 -3.30 114.28 107.33 1iti n THR 29 Ca 0.00 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1iti n THR 29 Cb 0.00 -0.36 0.32 0.00 -2.10 0.00 0.00 70.33 68.20 1iti n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 30 N 0.00 0.00 0.00 -0.78 4.39 -1.06 -3.37 114.58 113.76 1iti h GLU 30 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1iti h GLU 30 Cb 0.66 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.34 1iti h GLU 30 CO 0.00 0.00 -0.03 1.28 -1.16 0.00 0.00 179.01 179.10 1iti n LEU 31 N -3.07 0.00 -3.44 1.33 4.77 -1.21 -4.97 117.00 110.41 1iti n LEU 31 Ca 0.03 -0.13 -0.18 0.00 -0.03 0.00 0.00 56.01 55.70 1iti n LEU 31 Cb 0.46 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1iti n LEU 31 CO 0.32 -1.69 -0.19 0.42 -1.33 0.00 0.00 177.39 174.92 1iti s THR 32 N -1.17 -0.37 0.71 -5.08 -4.23 -1.26 -4.27 115.64 99.98 1iti s THR 32 Ca 0.10 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.14 1iti s THR 32 Cb -0.02 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 72.97 1iti s THR 32 CO 0.08 -0.37 1.09 0.68 -0.54 0.00 0.00 174.62 175.56 1iti s VAL 33 N 2.34 3.52 0.33 2.29 -7.23 0.29 -4.59 120.40 117.36 1iti s VAL 33 Ca 0.09 0.49 -0.28 0.00 -1.81 0.00 0.00 61.98 60.47 1iti s VAL 33 Cb -0.15 -3.47 -0.10 0.00 0.56 0.00 0.00 36.38 33.22 1iti s VAL 33 CO -0.25 -0.65 1.27 -0.89 -0.31 0.00 0.00 175.10 174.27 1iti s THR 34 N -3.33 2.84 -0.52 5.32 2.01 -1.26 0.83 115.64 121.54 1iti s THR 34 Ca 0.58 0.83 -0.21 0.00 0.31 0.00 0.00 61.69 63.21 1iti s THR 34 Cb -0.11 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 68.93 1iti s THR 34 CO 0.52 0.19 0.71 -0.62 -0.69 0.00 0.00 174.62 174.73 1iti s ASP 35 N -0.60 6.26 0.06 3.53 -1.08 -1.25 -4.63 116.67 118.95 1iti s ASP 35 Ca 0.49 -0.73 0.26 0.00 -0.52 0.00 0.00 52.55 52.06 1iti s ASP 35 Cb -0.38 -2.33 0.77 0.00 -1.46 0.00 0.00 42.92 39.52 1iti s ASP 35 CO 0.50 -0.98 1.63 2.30 0.52 0.00 0.00 175.17 179.14 1iti n ILE 36 N 5.79 0.16 1.24 4.11 -5.35 -1.26 -3.29 119.36 120.76 1iti n ILE 36 Ca -0.04 -0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.47 1iti n ILE 36 Cb 0.46 -0.21 0.31 0.00 -1.74 0.00 0.00 39.64 38.47 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 -1.74 0.00 1.40 4.28 3.72 -1.26 -3.81 117.46 120.05 1iti n PHE 37 Ca 0.06 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.60 1iti n PHE 37 Cb 0.37 -0.05 0.60 0.00 -0.94 0.00 0.00 39.48 39.46 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 -0.00 2.78 -3.12 4.37 0.00 -1.21 -4.56 120.51 118.76 1iti n ALA 38 Ca 0.14 -0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.31 1iti n ALA 38 Cb 0.41 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1iti n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iti s ALA 39 N -2.46 -2.62 -0.18 0.00 0.00 -1.25 -4.93 121.76 110.32 1iti s ALA 39 Ca 0.29 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 1iti s ALA 39 Cb 0.20 -2.77 0.09 0.00 0.00 0.00 0.00 23.12 20.64 1iti s ALA 39 CO 0.47 -2.26 0.29 -1.12 0.00 0.00 0.00 175.76 173.15 1iti s SER 40 N 1.78 0.61 0.00 0.00 0.01 -1.26 -4.96 113.70 109.87 1iti s SER 40 Ca 0.17 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1iti s SER 40 Cb -0.03 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1iti s SER 40 CO -0.08 -0.28 0.00 0.29 0.41 0.00 0.00 173.24 173.58 1iti n LYS 41 N 5.35 0.00 0.32 12.44 4.01 -1.26 -4.83 118.16 134.19 1iti n LYS 41 Ca -0.05 0.00 0.15 0.00 -0.51 0.00 0.00 58.31 57.90 1iti n LYS 41 Cb 0.50 0.00 0.81 0.00 -0.51 0.00 0.00 35.03 35.83 1iti n LYS 41 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1iti h ASP 42 N 0.00 0.00 -3.41 4.39 3.32 -2.06 -3.41 116.42 115.25 1iti h ASP 42 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1iti h ASP 42 Cb 0.00 0.00 0.20 0.00 0.22 0.00 0.00 39.33 39.75 1iti h ASP 42 CO 0.00 0.00 0.12 0.35 -1.72 0.00 0.00 179.24 177.99 1iti n THR 43 N -2.84 0.00 -4.12 0.35 -2.24 -1.26 -5.08 114.28 99.09 1iti n THR 43 Ca -0.02 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 1iti n THR 43 Cb 0.36 -1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 1iti n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1iti s THR 44 N -3.03 0.00 0.34 4.28 2.01 -1.26 -4.98 115.64 113.00 1iti s THR 44 Ca 0.72 -1.68 0.13 0.00 0.31 0.00 0.00 61.69 61.17 1iti s THR 44 Cb -0.07 -2.54 0.34 0.00 0.01 0.00 0.00 72.50 70.23 1iti s THR 44 CO 0.55 0.00 1.70 -0.33 -0.69 0.00 0.00 174.62 175.86 1iti h GLU 45 N 2.20 0.43 0.69 4.92 3.07 -1.98 0.21 114.58 124.12 1iti h GLU 45 Ca -0.28 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.52 1iti h GLU 45 Cb 1.24 -0.10 0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1iti h GLU 45 CO 0.40 0.28 -0.33 0.87 -1.40 0.00 0.00 179.01 178.83 1iti h LYS 46 N 0.44 -0.90 0.00 2.33 1.79 -2.00 -1.28 116.57 116.96 1iti h LYS 46 Ca 0.68 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.21 1iti h LYS 46 Cb 1.49 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.35 1iti h LYS 46 CO -0.50 -0.60 0.07 0.93 -1.08 0.00 0.00 179.45 178.28 1iti h GLU 47 N -0.99 0.00 0.01 3.15 3.07 -1.64 -1.88 114.58 116.30 1iti h GLU 47 Ca -0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1iti h GLU 47 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1iti h GLU 47 CO 0.16 0.00 -0.00 1.15 -1.40 0.00 0.00 179.01 178.91 1iti h THR 48 N 0.00 1.58 0.00 1.13 2.02 0.13 -2.73 112.91 115.04 1iti h THR 48 Ca 0.00 -1.90 -0.03 0.00 0.77 0.00 0.00 66.41 65.25 1iti h THR 48 Cb 0.15 2.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1iti h THR 48 CO 0.00 0.48 -0.14 -0.26 0.37 0.00 0.00 175.52 175.97 1iti h PHE 49 N -0.84 0.00 0.29 3.16 0.04 -0.46 -2.44 116.94 116.69 1iti h PHE 49 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1iti h PHE 49 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1iti h PHE 49 CO 0.21 0.14 -0.14 0.00 -0.60 0.00 0.00 178.31 177.92 1iti h ARG 51 N -0.70 0.47 -0.05 0.00 3.08 -1.45 0.16 114.38 115.88 1iti h ARG 51 Ca -0.04 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1iti h ARG 51 Cb 0.30 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1iti h ARG 51 CO 0.07 0.31 -0.10 0.00 -1.07 0.00 0.00 179.97 179.18 1iti h ALA 52 N 1.77 -0.07 -0.30 0.04 0.00 -1.44 -2.05 119.26 117.21 1iti h ALA 52 Ca 0.67 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1iti h ALA 52 Cb 1.36 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1iti h ALA 52 CO -0.52 -0.58 0.19 0.00 0.00 0.00 0.00 179.25 178.34 1iti h ALA 53 N 0.87 0.38 -0.94 0.00 0.00 -0.39 -1.88 119.26 117.30 1iti h ALA 53 Ca 0.06 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1iti h ALA 53 Cb 0.22 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1iti h ALA 53 CO -0.14 -0.14 0.48 1.15 0.00 0.00 0.00 179.25 180.60 1iti h THR 54 N 0.40 0.51 0.33 0.00 2.02 -0.76 0.35 112.91 115.75 1iti h THR 54 Ca 0.11 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1iti h THR 54 Cb -0.02 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1iti h THR 54 CO -0.02 0.09 -0.16 0.58 0.37 0.00 0.00 175.52 176.38 1iti h VAL 55 N 0.48 0.00 -1.28 3.16 2.07 -0.70 -2.75 116.25 117.22 1iti h VAL 55 Ca 0.59 -0.29 0.37 0.00 0.82 0.00 0.00 66.70 68.19 1iti h VAL 55 Cb 1.12 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 1iti h VAL 55 CO -0.50 0.00 0.92 -0.07 0.02 0.00 0.00 177.57 177.94 1iti h LEU 56 N -0.74 0.01 0.42 2.57 3.38 -0.86 -0.61 115.31 119.48 1iti h LEU 56 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1iti h LEU 56 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1iti h LEU 56 CO 0.07 0.00 -0.20 -0.09 0.09 0.00 0.00 178.44 178.31 1iti h ARG 57 N 0.01 -0.54 0.00 1.13 2.43 -0.21 -2.37 114.38 114.83 1iti h ARG 57 Ca 0.61 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1iti h ARG 57 Cb 2.43 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 32.11 1iti h ARG 57 CO -0.02 -0.36 0.00 0.00 -1.51 0.00 0.00 179.97 178.08 1iti n GLN 58 N -3.81 0.10 0.00 0.20 10.64 -0.52 -1.57 117.38 122.43 1iti n GLN 58 Ca -0.07 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1iti n GLN 58 Cb 0.22 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iti n PHE 59 N -1.16 0.00 1.22 2.61 7.35 -0.35 -3.55 117.46 123.57 1iti n PHE 59 Ca 0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1iti n PHE 59 Cb 0.03 -0.28 0.61 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.78 0.00 0.01 -5.13 0.18 -0.98 -1.85 117.16 107.61 1iti n TYR 60 Ca 0.00 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.57 1iti n TYR 60 Cb 0.00 -0.14 -0.14 0.00 -0.38 0.00 0.00 39.34 38.68 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 0.00 9.48 0.02 -1.46 -3.24 113.55 118.72 1iti h SER 61 Ca 0.00 -0.85 -0.12 0.00 -0.84 0.00 0.00 61.79 59.97 1iti h SER 61 Cb 0.10 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1iti h SER 61 CO 0.00 1.58 -0.92 1.41 -1.14 0.00 0.00 176.83 177.76 1iti n HIS 62 N -3.97 0.98 -0.17 3.45 8.25 -1.19 -4.03 115.22 118.54 1iti n HIS 62 Ca -0.24 0.42 -0.03 0.00 -0.26 0.00 0.00 57.72 57.62 1iti n HIS 62 Cb 0.88 -0.95 0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.00 -0.37 -1.15 4.41 3.86 -1.59 0.47 115.15 119.78 1iti h HIS 63 Ca -0.19 0.05 0.33 0.00 -1.16 0.00 0.00 60.37 59.40 1iti h HIS 63 Cb 0.93 0.24 -0.09 0.00 1.06 0.00 0.00 27.41 29.55 1iti h HIS 63 CO -0.05 -0.25 0.77 1.49 0.86 0.00 0.00 177.93 180.74 1iti h GLU 64 N -0.04 0.21 0.00 2.45 4.81 -1.71 1.27 114.58 121.57 1iti h GLU 64 Ca 0.25 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 1iti h GLU 64 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1iti h GLU 64 CO -0.55 0.14 -0.64 0.87 -0.73 0.00 0.00 179.01 178.10 1iti h LYS 65 N 0.22 0.00 -6.83 1.92 1.57 -0.29 -3.46 116.57 109.70 1iti h LYS 65 Ca 0.64 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.94 1iti h LYS 65 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.25 1iti h LYS 65 CO -0.24 0.11 0.19 0.34 -0.57 0.00 0.00 179.45 179.28 1iti s ASP 66 N -5.87 6.86 -0.49 0.86 -1.08 0.43 -4.96 116.67 112.42 1iti s ASP 66 Ca 0.02 1.44 -0.02 0.00 -0.52 0.00 0.00 52.55 53.48 1iti s ASP 66 Cb 0.08 -2.44 0.28 0.00 -1.46 0.00 0.00 42.92 39.38 1iti s ASP 66 CO 0.75 -0.24 2.14 1.07 0.52 0.00 0.00 175.17 179.40 1iti n THR 67 N -0.38 3.20 -0.12 1.71 5.66 -1.26 -4.39 114.28 118.70 1iti n THR 67 Ca 0.04 -2.48 -0.25 0.00 -3.05 0.00 0.00 64.05 58.32 1iti n THR 67 Cb 0.53 -1.31 -0.11 0.00 -1.55 0.00 0.00 70.33 67.89 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1iti n ARG 68 N -0.05 0.57 -0.37 1.09 5.12 -1.26 -4.26 116.66 117.50 1iti n ARG 68 Ca 0.45 0.44 0.06 0.00 -1.93 0.00 0.00 57.85 56.87 1iti n ARG 68 Cb 0.57 -1.64 0.21 0.00 -1.16 0.00 0.00 32.46 30.45 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti n LEU 70 N 0.58 2.10 0.00 0.00 4.77 -1.26 -4.88 117.00 118.31 1iti n LEU 70 Ca 0.15 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 1iti n LEU 70 Cb 0.58 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1iti n LEU 70 CO 0.14 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1iti n GLY 71 N 1.53 -0.23 0.00 -0.72 0.00 -1.26 -4.39 105.19 100.11 1iti n GLY 71 Ca -0.41 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 4.32 0.25 -1.73 4.61 0.00 -1.26 -5.04 120.51 121.65 1iti n ALA 72 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1iti n ALA 72 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1iti n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iti s THR 73 N -0.00 3.56 -0.09 0.00 2.01 -1.26 -4.98 115.64 114.87 1iti s THR 73 Ca 0.00 0.51 0.15 0.00 0.31 0.00 0.00 61.69 62.66 1iti s THR 73 Cb 0.00 -3.39 -0.17 0.00 0.01 0.00 0.00 72.50 68.95 1iti s THR 73 CO 0.00 -0.66 0.76 0.00 -0.69 0.00 0.00 174.62 174.03 1iti n ALA 74 N -3.13 1.75 0.08 7.40 0.00 -1.26 -3.30 120.51 122.05 1iti n ALA 74 Ca 0.07 -0.63 -0.08 0.00 0.00 0.00 0.00 53.44 52.80 1iti n ALA 74 Cb 0.56 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 1iti n ALA 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1iti h GLN 75 N 0.00 0.10 0.00 0.00 -0.00 -1.99 -3.18 115.11 110.04 1iti h GLN 75 Ca -0.21 -0.12 -0.12 0.00 -0.00 0.00 0.00 58.65 58.19 1iti h GLN 75 Cb 1.76 0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 29.27 1iti h GLN 75 CO 0.06 0.95 -0.58 0.37 -0.00 0.00 0.00 178.83 179.63 1iti h GLN 76 N 0.04 0.00 0.09 0.06 4.15 -1.90 -2.55 115.11 115.00 1iti h GLN 76 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1iti h GLN 76 Cb 1.60 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.29 1iti h GLN 76 CO 0.13 0.58 -0.04 0.35 -1.93 0.00 0.00 178.83 177.92 1iti h PHE 77 N 0.00 -0.11 0.25 3.99 3.57 -1.54 -0.95 116.94 122.16 1iti h PHE 77 Ca -0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1iti h PHE 77 Cb 1.34 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.11 1iti h PHE 77 CO 0.00 -0.03 -0.12 1.25 -2.23 0.00 0.00 178.31 177.18 1iti h HIS 78 N -0.17 -0.32 -0.06 0.41 2.76 -1.62 -2.73 115.15 113.43 1iti h HIS 78 Ca -0.01 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1iti h HIS 78 Cb 0.13 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1iti h HIS 78 CO -0.06 0.02 0.61 -0.09 -1.30 0.00 0.00 177.93 177.11 1iti h ARG 79 N -0.96 0.00 0.00 5.26 2.43 -1.50 0.00 114.38 119.62 1iti h ARG 79 Ca -0.03 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1iti h ARG 79 Cb 0.48 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1iti h ARG 79 CO 0.06 0.00 -0.15 1.25 -1.51 0.00 0.00 179.97 179.61 1iti h HIS 80 N 0.00 0.00 -0.79 2.20 2.76 -1.00 -3.17 115.15 115.14 1iti h HIS 80 Ca 0.03 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.38 1iti h HIS 80 Cb 1.24 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.08 1iti h HIS 80 CO 0.00 0.57 0.22 0.87 -1.30 0.00 0.00 177.93 178.29 1iti h LYS 81 N -1.00 0.27 -0.11 5.26 1.57 -0.70 0.40 116.57 122.26 1iti h LYS 81 Ca -0.03 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1iti h LYS 81 Cb 0.60 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 1iti h LYS 81 CO -0.02 0.18 -0.10 1.96 -0.57 0.00 0.00 179.45 180.90 1iti h GLN 82 N 0.28 -0.12 -0.24 3.15 4.20 -1.56 -2.31 115.11 118.51 1iti h GLN 82 Ca 0.46 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.23 1iti h GLN 82 Cb 0.83 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 1iti h GLN 82 CO -0.54 -0.08 -0.48 1.25 -0.67 0.00 0.00 178.83 178.31 1iti h LEU 83 N -0.12 -1.54 -1.30 1.46 6.46 -0.90 0.34 115.31 119.71 1iti h LEU 83 Ca 0.08 0.20 0.30 0.00 -0.12 0.00 0.00 57.88 58.35 1iti h LEU 83 Cb 0.24 0.63 -0.11 0.00 -0.73 0.00 0.00 40.66 40.69 1iti h LEU 83 CO -0.19 -0.43 0.69 0.40 -0.62 0.00 0.00 178.44 178.29 1iti h ILE 84 N -0.47 0.42 -0.49 4.05 1.08 -1.06 0.42 117.51 121.46 1iti h ILE 84 Ca 0.08 -0.12 -0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1iti h ILE 84 Cb 0.63 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1iti h ILE 84 CO -0.48 0.06 0.14 -0.09 -0.69 0.00 0.00 178.15 177.10 1iti h ARG 85 N 0.34 0.77 0.15 2.37 9.65 0.17 0.29 114.38 128.12 1iti h ARG 85 Ca 0.66 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 59.38 1iti h ARG 85 Cb 1.70 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 30.15 1iti h ARG 85 CO -0.37 0.73 -0.20 0.74 2.80 0.00 0.00 179.97 183.68 1iti h PHE 86 N 0.67 -0.52 0.42 2.20 0.04 0.69 -0.23 116.94 120.21 1iti h PHE 86 Ca 0.16 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 1iti h PHE 86 Cb 0.29 0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1iti h PHE 86 CO 0.02 -0.29 -0.20 -0.07 -0.60 0.00 0.00 178.31 177.16 1iti h LEU 87 N -0.40 -0.48 -1.32 1.54 3.38 -1.35 -1.25 115.31 115.44 1iti h LEU 87 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1iti h LEU 87 Cb 0.40 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1iti h LEU 87 CO -0.08 -0.26 0.27 0.50 0.09 0.00 0.00 178.44 178.96 1iti h LYS 88 N -0.67 0.00 0.00 1.13 3.64 -0.80 0.30 116.57 120.18 1iti h LYS 88 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1iti h LYS 88 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1iti h LYS 88 CO 0.09 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.14 1iti n ARG 89 N -2.35 0.00 -0.13 1.90 0.63 -0.11 -3.90 116.66 112.70 1iti n ARG 89 Ca -0.01 0.23 0.18 0.00 -0.92 0.00 0.00 57.85 57.32 1iti n ARG 89 Cb 0.30 -0.68 0.57 0.00 0.45 0.00 0.00 32.46 33.11 1iti n ARG 89 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1iti h LEU 90 N 0.00 0.26 -1.42 6.15 8.10 -1.23 0.97 115.31 128.13 1iti h LEU 90 Ca 0.00 0.02 0.20 0.00 0.11 0.00 0.00 57.88 58.20 1iti h LEU 90 Cb 0.00 -0.03 -0.07 0.00 -0.44 0.00 0.00 40.66 40.11 1iti h LEU 90 CO 0.00 0.13 0.60 -0.78 -4.11 0.00 0.00 178.44 174.28 1iti h ASP 91 N 0.27 0.48 0.66 0.17 3.58 -0.57 0.80 116.42 121.82 1iti h ASP 91 Ca 0.35 0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.58 1iti h ASP 91 Cb 0.98 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.96 1iti h ASP 91 CO -0.08 0.19 -1.41 0.03 -2.88 0.00 0.00 179.24 175.09 1iti h ARG 92 N 0.48 0.06 0.29 0.28 2.47 -0.93 -3.26 114.38 113.77 1iti h ARG 92 Ca 0.48 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.08 1iti h ARG 92 Cb 1.10 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.46 1iti h ARG 92 CO -0.21 0.84 -0.16 -0.91 0.56 0.00 0.00 179.97 180.10 1iti h ASN 93 N 0.02 -0.38 0.00 7.04 -0.26 -0.48 0.13 115.58 121.64 1iti h ASN 93 Ca -0.18 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1iti h ASN 93 Cb 1.92 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 39.29 1iti h ASN 93 CO 0.12 -0.26 0.00 0.18 -1.06 0.00 0.00 177.43 176.41 1iti n LEU 94 N -5.28 0.00 0.09 1.61 4.77 -0.54 -1.09 117.00 116.55 1iti n LEU 94 Ca -0.10 0.94 0.03 0.00 -0.03 0.00 0.00 56.01 56.86 1iti n LEU 94 Cb 0.19 -0.44 0.16 0.00 -2.33 0.00 0.00 43.42 41.00 1iti n LEU 94 CO 0.34 -0.44 0.65 1.87 -1.33 0.00 0.00 177.39 178.49 1iti n TRP 95 N -1.97 0.20 0.01 -1.77 -0.00 -1.23 -2.05 117.44 110.63 1iti n TRP 95 Ca 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 57.50 57.60 1iti n TRP 95 Cb 0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 31.31 30.89 1iti n TRP 95 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iti h GLY 96 N 0.00 -0.03 1.14 5.87 0.00 0.90 -3.16 103.07 107.79 1iti h GLY 96 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1iti h GLY 96 CO 0.00 -0.01 0.00 1.47 0.00 0.00 0.00 176.54 178.00 1iti n LEU 97 N -2.25 0.00 0.00 3.11 -0.00 -0.87 -3.07 117.00 113.92 1iti n LEU 97 Ca -0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1iti n LEU 97 CO 0.01 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.32 1iti n ALA 98 N -1.07 0.00 -0.98 1.47 0.00 -1.03 -4.96 120.51 113.94 1iti n ALA 98 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.14 0.41 3.79 0.00 0.00 -1.18 -5.02 105.19 105.32 1iti n GLY 99 Ca 0.00 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 4.53 0.00 0.99 1.43 -1.26 -5.01 118.68 119.36 1iti s LEU 100 Ca 0.00 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1iti s LEU 100 Cb 0.00 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1iti s LEU 100 CO 0.00 0.20 0.00 0.59 0.23 0.00 0.00 176.35 177.37 1iti n ASN 101 N 1.91 0.00 -4.72 2.29 4.13 -1.26 -4.89 115.26 112.72 1iti n ASN 101 Ca -0.07 0.19 -0.41 0.00 1.68 0.00 0.00 54.58 55.96 1iti n ASN 101 Cb 0.50 -0.49 -0.04 0.00 -1.54 0.00 0.00 39.78 38.21 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1iti s SER 102 N -3.58 7.26 -0.46 6.41 1.04 -1.26 -4.96 113.70 118.15 1iti s SER 102 Ca 0.00 1.52 0.05 0.00 0.48 0.00 0.00 55.95 58.00 1iti s SER 102 Cb 0.00 -2.52 0.26 0.00 0.10 0.00 0.00 66.02 63.86 1iti s SER 102 CO 0.00 -0.17 0.98 0.00 0.98 0.00 0.00 173.24 175.03 1iti s PRO 104 N 0.55 2.00 0.19 0.00 0.05 -1.26 -4.91 135.00 131.63 1iti s PRO 104 Ca 0.30 1.65 -0.14 0.00 0.05 0.00 0.00 61.00 62.85 1iti s PRO 104 Cb 0.24 -1.83 -0.07 0.00 0.05 0.00 0.00 34.50 32.89 1iti s PRO 104 CO -0.20 -1.92 0.59 0.54 0.05 0.00 0.00 177.00 176.06 1iti s VAL 105 N -2.20 4.82 0.00 -0.36 0.11 -1.26 -5.00 120.40 116.51 1iti s VAL 105 Ca 0.71 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 60.58 1iti s VAL 105 Cb -0.26 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 1iti s VAL 105 CO 0.48 0.13 0.00 1.17 -3.33 0.00 0.00 175.10 173.55 1iti n LYS 106 N 0.47 0.00 -3.80 1.54 3.00 -1.26 -5.12 118.16 112.99 1iti n LYS 106 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.16 1iti n LYS 106 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 35.46 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1iti s GLU 107 N 1.92 0.55 0.12 1.64 2.02 -1.26 -5.17 118.70 118.53 1iti s GLU 107 Ca 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 54.97 54.71 1iti s GLU 107 Cb 0.00 0.24 0.03 0.00 0.10 0.00 0.00 34.13 34.51 1iti s GLU 107 CO 0.00 -0.14 0.47 0.00 0.02 0.00 0.00 175.26 175.61 1iti n ALA 108 N 1.57 -1.17 -1.63 5.21 0.00 -1.26 -4.78 120.51 118.45 1iti n ALA 108 Ca -0.21 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1iti n ALA 108 Cb 0.56 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.04 0.00 -3.77 0.00 8.00 -1.26 -4.89 116.55 113.60 1iti n ASP 109 Ca -0.02 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.37 1iti n ASP 109 Cb 0.29 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1iti n ASP 109 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1iti s GLN 110 N 1.69 1.64 -0.13 -1.24 -0.21 -1.26 -3.88 119.66 116.26 1iti s GLN 110 Ca 0.00 -1.44 -0.29 0.00 0.02 0.00 0.00 55.36 53.65 1iti s GLN 110 Cb 0.00 0.45 0.08 0.00 1.00 0.00 0.00 33.01 34.54 1iti s GLN 110 CO 0.00 -0.67 0.74 -1.54 -2.12 0.00 0.00 175.29 171.69 1iti s SER 111 N -3.09 -0.65 0.26 5.90 1.04 0.24 -4.32 113.70 113.08 1iti s SER 111 Ca 0.26 0.88 -0.30 0.00 0.48 0.00 0.00 55.95 57.28 1iti s SER 111 Cb 0.00 0.77 -0.09 0.00 0.10 0.00 0.00 66.02 66.80 1iti s SER 111 CO 0.12 -0.47 0.99 0.42 0.98 0.00 0.00 173.24 175.28 1iti s THR 112 N -0.72 3.89 0.54 2.02 -4.23 -1.26 0.11 115.64 115.98 1iti s THR 112 Ca -0.07 1.89 0.30 0.00 -1.18 0.00 0.00 61.69 62.63 1iti s THR 112 Cb -0.02 -4.20 0.46 0.00 1.34 0.00 0.00 72.50 70.09 1iti s THR 112 CO 0.06 0.44 1.92 0.25 -0.54 0.00 0.00 174.62 176.75 1iti h LEU 113 N 4.00 0.00 0.00 4.79 5.85 -1.74 0.35 115.31 128.56 1iti h LEU 113 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1iti h LEU 113 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iti h LEU 113 CO 0.67 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.98 1iti n GLU 114 N -4.29 0.00 -0.25 1.25 2.13 -1.26 -2.03 120.64 116.18 1iti n GLU 114 Ca 0.16 0.13 0.06 0.00 0.66 0.00 0.00 57.16 58.17 1iti n GLU 114 Cb 0.87 -0.92 0.18 0.00 0.27 0.00 0.00 31.44 31.84 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 0.01 -0.87 4.31 4.21 -1.92 0.24 115.58 121.56 1iti h ASN 115 Ca 0.00 0.15 0.21 0.00 1.21 0.00 0.00 56.30 57.87 1iti h ASN 115 Cb 0.00 0.20 -0.13 0.00 -1.12 0.00 0.00 38.32 37.27 1iti h ASN 115 CO 0.00 -0.04 0.34 0.15 -1.29 0.00 0.00 177.43 176.59 1iti h PHE 116 N 0.27 0.56 -0.10 1.19 3.04 -0.39 0.72 116.94 122.22 1iti h PHE 116 Ca 0.42 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.31 1iti h PHE 116 Cb 0.71 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.10 1iti h PHE 116 CO -0.26 -0.08 -0.39 -0.07 -2.02 0.00 0.00 178.31 175.49 1iti h LEU 117 N 0.36 0.23 0.59 0.59 3.38 0.07 -1.59 115.31 118.93 1iti h LEU 117 Ca 0.54 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1iti h LEU 117 Cb 1.02 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.72 1iti h LEU 117 CO -0.54 0.61 -0.28 -0.08 0.09 0.00 0.00 178.44 178.23 1iti h GLU 118 N 0.19 -0.76 -0.41 1.13 4.57 0.10 0.15 114.58 119.55 1iti h GLU 118 Ca 0.02 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1iti h GLU 118 Cb 0.78 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1iti h GLU 118 CO 0.06 -0.45 0.26 0.07 -1.18 0.00 0.00 179.01 177.78 1iti h ARG 119 N -1.00 0.54 0.60 1.92 0.11 -1.23 -0.07 114.38 115.25 1iti h ARG 119 Ca -0.08 -0.04 -0.03 0.00 0.10 0.00 0.00 59.98 59.93 1iti h ARG 119 Cb 0.66 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.63 1iti h ARG 119 CO 0.13 0.37 -0.29 1.25 0.10 0.00 0.00 179.97 181.53 1iti h LEU 120 N 0.56 -0.68 -0.25 0.08 6.46 -1.08 0.12 115.31 120.50 1iti h LEU 120 Ca 0.15 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 1iti h LEU 120 Cb -0.05 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.00 1iti h LEU 120 CO -0.03 -0.29 -0.12 0.50 -0.62 0.00 0.00 178.44 177.88 1iti h LYS 121 N -1.17 -0.08 -0.45 1.25 3.11 -0.51 0.21 116.57 118.93 1iti h LYS 121 Ca -0.08 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.81 1iti h LYS 121 Cb 0.65 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.85 1iti h LYS 121 CO 0.14 -0.05 0.21 1.15 -2.81 0.00 0.00 179.45 178.08 1iti h THR 122 N -0.08 0.93 -0.90 1.00 2.02 -1.04 -1.30 112.91 113.54 1iti h THR 122 Ca 0.13 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1iti h THR 122 Cb 0.28 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1iti h THR 122 CO -0.31 0.08 0.56 0.40 0.37 0.00 0.00 175.52 176.62 1iti h ILE 123 N 0.42 1.24 0.97 3.11 2.04 0.25 -0.89 117.51 124.66 1iti h ILE 123 Ca 0.20 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1iti h ILE 123 Cb 0.14 -0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1iti h ILE 123 CO -0.16 0.25 -0.47 0.24 0.00 0.00 0.00 178.15 178.01 1iti h MET 124 N 1.24 -1.26 0.00 2.37 2.86 0.45 -0.13 114.93 120.46 1iti h MET 124 Ca 0.33 0.09 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1iti h MET 124 Cb -0.08 0.29 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1iti h MET 124 CO -0.06 -0.84 0.06 0.00 1.06 0.00 0.00 176.91 177.13 1iti h ARG 125 N -1.31 0.00 0.06 1.72 3.08 -1.18 0.37 114.38 117.11 1iti h ARG 125 Ca -0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1iti h ARG 125 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1iti h ARG 125 CO 0.22 0.00 -0.03 1.49 -1.07 0.00 0.00 179.97 180.58 1iti h GLU 126 N 0.00 -0.07 0.00 0.04 4.81 -0.10 -3.30 114.58 115.96 1iti h GLU 126 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1iti h GLU 126 Cb 0.12 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1iti h GLU 126 CO 0.00 0.12 0.00 1.63 -0.73 0.00 0.00 179.01 180.03 1iti n LYS 127 N -4.81 0.26 0.00 1.92 5.02 -0.16 -3.29 118.16 117.11 1iti n LYS 127 Ca -0.03 0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 1iti n LYS 127 Cb 0.11 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.66 1iti n LYS 127 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iti n TYR 128 N -1.34 0.00 -2.22 2.13 9.36 0.13 -4.65 117.16 120.56 1iti n TYR 128 Ca 0.10 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.91 1iti n TYR 128 Cb 0.22 -0.04 -0.03 0.00 -0.63 0.00 0.00 39.34 38.86 1iti n TYR 128 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1iti s SER 129 N -2.08 6.89 0.00 2.98 0.01 -1.21 -4.80 113.70 115.50 1iti s SER 129 Ca 0.02 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.64 1iti s SER 129 Cb 0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1iti s SER 129 CO 0.02 -0.55 0.00 2.29 0.41 0.00 0.00 173.24 175.41 1iti n LYS 130 N 2.97 0.00 0.00 12.44 2.85 -1.26 -4.93 118.16 130.23 1iti n LYS 130 Ca 0.07 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.41 1iti n LYS 130 Cb 0.43 0.00 0.33 0.00 -0.65 0.00 0.00 35.03 35.14 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 -1.48 5.04 0.00 0.00 7.64 -1.26 -5.06 113.62 118.50 1iti n SER 132 Ca 0.04 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.18 1iti n SER 132 Cb 0.17 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1iti n SER 132 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49