#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti s ALA 2 N 0.00 -0.08 -0.21 0.62 0.00 -1.26 -5.16 121.76 115.67 1iti s ALA 2 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1iti s ALA 2 Cb 0.00 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.10 1iti s ALA 2 CO 0.00 -0.90 0.36 -2.00 0.00 0.00 0.00 175.76 173.22 1iti s GLU 3 N -2.54 0.30 -0.19 0.00 -6.30 -1.26 -5.14 118.70 103.57 1iti s GLU 3 Ca 0.22 0.69 -0.16 0.00 -2.50 0.00 0.00 54.97 53.22 1iti s GLU 3 Cb -0.03 -0.24 0.05 0.00 0.00 0.00 0.00 34.13 33.91 1iti s GLU 3 CO 0.16 -0.48 0.50 0.00 0.02 0.00 0.00 175.26 175.45 1iti s ALA 4 N 2.53 -1.25 0.30 6.30 0.00 -1.26 -5.13 121.76 123.26 1iti s ALA 4 Ca 0.07 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.25 1iti s ALA 4 Cb -0.14 -0.88 -0.14 0.00 0.00 0.00 0.00 23.12 21.96 1iti s ALA 4 CO -0.14 -0.25 0.82 -2.39 0.00 0.00 0.00 175.76 173.81 1iti n HIS 5 N 3.15 0.58 0.10 0.00 1.44 -1.26 -4.85 115.22 114.38 1iti n HIS 5 Ca -0.15 0.74 -0.02 0.00 -2.01 0.00 0.00 57.72 56.27 1iti n HIS 5 Cb 0.56 -2.14 -0.02 0.00 0.12 0.00 0.00 29.99 28.51 1iti n HIS 5 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1iti h LYS 6 N 1.54 0.00 -6.28 -1.40 6.56 -2.02 -3.45 116.57 111.53 1iti h LYS 6 Ca -0.37 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.57 1iti h LYS 6 Cb 1.37 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 33.06 1iti h LYS 6 CO 0.58 0.75 0.91 0.00 -2.06 0.00 0.00 179.45 179.64 1iti s ASP 8 N 2.89 6.75 0.23 0.00 -1.08 -1.26 -4.87 116.67 119.33 1iti s ASP 8 Ca 0.91 0.71 0.22 0.00 -0.52 0.00 0.00 52.55 53.86 1iti s ASP 8 Cb -0.82 -2.52 0.94 0.00 -1.46 0.00 0.00 42.92 39.06 1iti s ASP 8 CO 0.52 -0.98 1.65 0.00 0.52 0.00 0.00 175.17 176.89 1iti n ILE 9 N 6.19 0.91 0.25 4.11 3.06 -1.26 -3.15 119.36 129.47 1iti n ILE 9 Ca 0.10 0.32 -0.12 0.00 -2.50 0.00 0.00 62.75 60.55 1iti n ILE 9 Cb 0.48 -1.24 -0.06 0.00 0.54 0.00 0.00 39.64 39.36 1iti n ILE 9 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1iti h THR 10 N 0.00 0.14 -0.12 9.51 2.02 -1.98 -2.62 112.91 119.86 1iti h THR 10 Ca 0.00 -0.51 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1iti h THR 10 Cb 0.28 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1iti h THR 10 CO 0.00 0.03 0.65 -0.07 0.37 0.00 0.00 175.52 176.49 1iti h LEU 11 N -1.13 0.00 0.00 2.58 3.38 -1.93 0.85 115.31 119.06 1iti h LEU 11 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 11 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1iti h LEU 11 CO 0.11 0.00 0.00 1.67 0.09 0.00 0.00 178.44 180.31 1iti n GLN 12 N -2.86 0.00 0.26 1.13 7.27 -1.04 -2.50 117.38 119.64 1iti n GLN 12 Ca 0.01 0.45 0.16 0.00 0.07 0.00 0.00 57.00 57.70 1iti n GLN 12 Cb 0.71 -0.98 0.77 0.00 2.41 0.00 0.00 30.24 33.15 1iti n GLN 12 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1iti h GLU 13 N 0.00 0.00 0.41 3.69 -0.00 -1.05 -1.83 114.58 115.79 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 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1iti h GLU 13 CO 0.00 0.00 -0.20 0.82 -0.00 0.00 0.00 179.01 179.63 1iti h ILE 14 N 0.00 0.00 -0.65 -1.06 2.04 -0.94 -2.33 117.51 114.58 1iti h ILE 14 Ca 0.06 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 65.46 1iti h ILE 14 Cb 0.85 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.81 1iti h ILE 14 CO -0.00 0.00 -0.11 0.40 0.00 0.00 0.00 178.15 178.44 1iti h ILE 15 N -1.15 0.38 -0.97 -0.67 2.04 -1.03 0.41 117.51 116.53 1iti h ILE 15 Ca -0.06 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 65.87 1iti h ILE 15 Cb 0.42 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1iti h ILE 15 CO 0.09 0.01 0.63 0.50 0.00 0.00 0.00 178.15 179.37 1iti h LYS 16 N 0.03 1.05 -0.57 2.37 3.64 -1.55 -1.40 116.57 120.15 1iti h LYS 16 Ca 0.32 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1iti h LYS 16 Cb 0.51 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1iti h LYS 16 CO -0.64 0.70 0.37 1.15 -2.27 0.00 0.00 179.45 178.76 1iti h THR 17 N 1.09 1.12 -0.96 1.00 2.02 0.38 -1.79 112.91 115.76 1iti h THR 17 Ca 0.43 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1iti h THR 17 Cb 0.25 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.91 1iti h THR 17 CO -0.18 0.13 0.63 -0.07 0.37 0.00 0.00 175.52 176.40 1iti h LEU 18 N 0.74 1.00 -0.78 2.58 3.38 -0.40 -1.25 115.31 120.58 1iti h LEU 18 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1iti h LEU 18 Cb -0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1iti h LEU 18 CO -0.06 0.66 0.40 0.78 0.09 0.00 0.00 178.44 180.30 1iti h ASN 19 N 1.15 1.01 -0.44 -0.43 2.35 -0.95 -2.02 115.58 116.25 1iti h ASN 19 Ca 0.40 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 1iti h ASN 19 Cb 0.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1iti h ASN 19 CO -0.15 0.84 0.16 0.28 -1.65 0.00 0.00 177.43 176.92 1iti h SER 20 N 1.10 0.62 -1.00 5.81 0.02 -0.73 -2.48 113.55 116.89 1iti h SER 20 Ca 0.27 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1iti h SER 20 Cb 0.09 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1iti h SER 20 CO -0.04 0.64 0.65 -0.07 -1.14 0.00 0.00 176.83 176.88 1iti h LEU 21 N 0.57 1.08 -0.95 5.07 3.38 -0.96 -1.46 115.31 122.03 1iti h LEU 21 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1iti h LEU 21 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1iti h LEU 21 CO -0.01 0.72 0.42 0.71 0.09 0.00 0.00 178.44 180.38 1iti h THR 22 N 1.24 1.25 -0.48 0.22 1.35 -0.98 -1.55 112.91 113.96 1iti h THR 22 Ca 0.41 -0.66 0.12 0.00 -0.55 0.00 0.00 66.41 65.72 1iti h THR 22 Cb 0.05 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.61 1iti h THR 22 CO -0.14 0.29 0.33 -0.33 -0.25 0.00 0.00 175.52 175.43 1iti h GLU 23 N 1.16 0.12 -6.25 4.72 5.08 -0.83 -3.40 114.58 115.17 1iti h GLU 23 Ca 0.29 -0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 58.07 1iti h GLU 23 Cb 0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1iti h GLU 23 CO -0.04 0.08 -0.22 -0.65 -1.00 0.00 0.00 179.01 177.18 1iti s GLN 24 N -5.13 3.73 -0.44 2.33 -0.21 -0.58 -5.05 119.66 114.30 1iti s GLN 24 Ca -0.06 0.13 0.05 0.00 0.02 0.00 0.00 55.36 55.50 1iti s GLN 24 Cb 0.19 -2.82 0.17 0.00 1.00 0.00 0.00 33.01 31.55 1iti s GLN 24 CO 0.73 0.44 0.48 0.15 -2.12 0.00 0.00 175.29 174.97 1iti s LYS 25 N -2.49 0.92 0.69 2.91 1.02 -1.26 -4.94 119.74 116.58 1iti s LYS 25 Ca 0.41 -1.55 -0.03 0.00 0.02 0.00 0.00 55.97 54.82 1iti s LYS 25 Cb -0.12 -0.84 0.14 0.00 -0.52 0.00 0.00 37.83 36.49 1iti s LYS 25 CO 0.22 -1.34 0.94 0.25 -0.92 0.00 0.00 175.35 174.50 1iti n THR 26 N 3.11 0.00 0.47 2.17 -2.24 -1.26 -4.96 114.28 111.58 1iti n THR 26 Ca 0.23 -1.29 0.13 0.00 -2.27 0.00 0.00 64.05 60.84 1iti n THR 26 Cb 0.50 -1.07 0.45 0.00 -2.10 0.00 0.00 70.33 68.12 1iti n THR 26 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1iti h LEU 27 N 0.00 0.00 -2.54 3.22 8.10 -1.94 -3.01 115.31 119.14 1iti h LEU 27 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1iti h LEU 27 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 1iti h LEU 27 CO 0.31 0.00 0.09 0.00 -4.11 0.00 0.00 178.44 174.73 1iti h THR 29 N 0.00 1.28 -0.46 0.00 1.35 -1.92 -2.84 112.91 110.33 1iti h THR 29 Ca 0.00 -1.76 0.13 0.00 -0.55 0.00 0.00 66.41 64.23 1iti h THR 29 Cb 0.18 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 1iti h THR 29 CO 0.00 0.57 0.59 -0.33 -0.25 0.00 0.00 175.52 176.10 1iti h GLU 30 N 0.65 0.00 -6.35 4.72 5.08 -1.33 -3.35 114.58 114.01 1iti h GLU 30 Ca 0.01 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1iti h GLU 30 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1iti h GLU 30 CO 0.13 0.00 0.90 -0.51 -1.00 0.00 0.00 179.01 178.53 1iti s LEU 31 N -6.92 4.31 -0.17 1.33 1.43 -1.07 -4.97 118.68 112.62 1iti s LEU 31 Ca -0.04 2.14 -0.25 0.00 -1.03 0.00 0.00 54.13 54.96 1iti s LEU 31 Cb 0.14 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 1iti s LEU 31 CO 0.47 -0.78 0.81 0.42 0.23 0.00 0.00 176.35 177.51 1iti s THR 32 N 2.79 4.90 0.35 5.49 -4.23 -1.26 -3.94 115.64 119.73 1iti s THR 32 Ca 0.66 1.58 0.01 0.00 -1.18 0.00 0.00 61.69 62.76 1iti s THR 32 Cb -0.32 -4.11 0.07 0.00 1.34 0.00 0.00 72.50 69.47 1iti s THR 32 CO 0.27 0.04 0.49 1.33 -0.54 0.00 0.00 174.62 176.20 1iti n VAL 33 N 4.73 0.00 -3.05 2.29 0.24 0.10 -4.81 118.33 117.84 1iti n VAL 33 Ca 0.04 -0.86 -0.39 0.00 -2.04 0.00 0.00 64.34 61.08 1iti n VAL 33 Cb 0.49 -1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 31.78 1iti n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iti s THR 34 N -1.30 4.51 -0.11 3.34 2.01 -1.26 -1.19 115.64 121.63 1iti s THR 34 Ca 0.33 1.58 -0.17 0.00 0.31 0.00 0.00 61.69 63.74 1iti s THR 34 Cb -0.02 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1iti s THR 34 CO 0.22 0.50 0.44 -0.62 -0.69 0.00 0.00 174.62 174.48 1iti s ASP 35 N -0.95 6.67 -0.10 3.53 2.15 -1.26 -4.67 116.67 122.03 1iti s ASP 35 Ca 0.35 0.79 0.11 0.00 0.43 0.00 0.00 52.55 54.23 1iti s ASP 35 Cb -0.22 -2.27 -0.24 0.00 -0.30 0.00 0.00 42.92 39.90 1iti s ASP 35 CO 0.24 0.06 0.44 2.30 -0.17 0.00 0.00 175.17 178.04 1iti n ILE 36 N 3.41 1.58 1.37 4.11 -5.35 -1.26 -3.87 119.36 119.35 1iti n ILE 36 Ca -0.09 -0.78 0.12 0.00 -0.27 0.00 0.00 62.75 61.73 1iti n ILE 36 Cb 0.52 -1.02 0.67 0.00 -1.74 0.00 0.00 39.64 38.06 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 -3.05 0.00 1.24 4.28 3.72 -1.26 -2.76 117.46 119.63 1iti n PHE 37 Ca -0.24 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1iti n PHE 37 Cb 1.07 -0.08 0.65 0.00 -0.94 0.00 0.00 39.48 40.18 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 -1.08 2.29 -3.07 4.37 0.00 -1.25 -4.42 120.51 117.35 1iti n ALA 38 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.49 1iti n ALA 38 Cb 0.11 -1.41 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.49 -3.03 -0.10 0.00 0.00 -1.11 -4.77 121.76 110.25 1iti s ALA 39 Ca 0.26 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.72 1iti s ALA 39 Cb 0.17 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.51 1iti s ALA 39 CO 0.37 -2.31 0.22 -1.12 0.00 0.00 0.00 175.76 172.93 1iti s SER 40 N 1.88 -0.13 0.00 0.00 0.01 -1.26 -5.03 113.70 109.18 1iti s SER 40 Ca 0.16 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1iti s SER 40 Cb -0.02 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1iti s SER 40 CO -0.09 -0.17 0.00 0.29 0.41 0.00 0.00 173.24 173.67 1iti n LYS 41 N 4.39 0.00 -0.68 12.44 5.02 -1.26 -4.89 118.16 133.18 1iti n LYS 41 Ca -0.23 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.01 1iti n LYS 41 Cb 0.52 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.72 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iti n ASP 42 N -2.41 3.75 -4.84 4.39 9.92 -1.26 -4.91 116.55 121.19 1iti n ASP 42 Ca 0.00 -2.81 -0.37 0.00 -0.53 0.00 0.00 54.79 51.08 1iti n ASP 42 Cb 0.00 -0.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.75 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1iti s THR 43 N -2.11 4.99 0.61 -3.53 -4.23 -1.26 -5.08 115.64 105.03 1iti s THR 43 Ca 0.35 0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 61.61 1iti s THR 43 Cb 0.28 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.46 1iti s THR 43 CO 0.09 0.44 0.87 -0.89 -0.54 0.00 0.00 174.62 174.58 1iti s THR 44 N -1.24 2.50 0.35 3.99 2.01 -1.26 -4.91 115.64 117.08 1iti s THR 44 Ca 0.29 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.86 1iti s THR 44 Cb -0.16 -2.98 0.32 0.00 0.01 0.00 0.00 72.50 69.69 1iti s THR 44 CO 0.16 0.00 1.87 -0.33 -0.69 0.00 0.00 174.62 175.63 1iti h GLU 45 N -0.20 0.70 -0.38 4.92 5.08 -2.00 0.19 114.58 122.88 1iti h GLU 45 Ca -0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1iti h GLU 45 Cb 1.30 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1iti h GLU 45 CO 0.54 0.46 0.25 0.87 -1.00 0.00 0.00 179.01 180.14 1iti h LYS 46 N 0.72 0.50 -0.08 2.33 1.57 -1.97 -1.24 116.57 118.41 1iti h LYS 46 Ca 0.44 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 59.03 1iti h LYS 46 Cb 0.67 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1iti h LYS 46 CO -0.20 0.34 -0.66 0.93 -0.57 0.00 0.00 179.45 179.28 1iti h GLU 47 N 0.52 0.34 0.26 3.15 4.39 -1.00 -1.53 114.58 120.71 1iti h GLU 47 Ca 0.14 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1iti h GLU 47 Cb -0.06 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1iti h GLU 47 CO -0.03 0.88 -0.13 1.15 -1.16 0.00 0.00 179.01 179.73 1iti h THR 48 N 0.25 0.78 -0.41 1.13 2.02 -0.77 0.18 112.91 116.09 1iti h THR 48 Ca -0.02 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 1iti h THR 48 Cb 1.21 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1iti h THR 48 CO 0.11 0.12 0.11 -0.26 0.37 0.00 0.00 175.52 175.97 1iti h PHE 49 N -0.66 0.61 0.41 3.16 0.04 -1.42 -1.98 116.94 117.10 1iti h PHE 49 Ca -0.04 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1iti h PHE 49 Cb 0.46 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1iti h PHE 49 CO 0.02 0.52 -0.20 0.00 -0.60 0.00 0.00 178.31 178.05 1iti h ARG 51 N -0.99 0.20 0.59 0.00 2.47 -0.54 0.70 114.38 116.80 1iti h ARG 51 Ca -0.06 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.62 1iti h ARG 51 Cb 0.55 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1iti h ARG 51 CO 0.09 0.13 -0.28 0.00 0.56 0.00 0.00 179.97 180.47 1iti h ALA 52 N 1.66 -0.80 -0.59 0.04 0.00 -1.33 -2.61 119.26 115.63 1iti h ALA 52 Ca 0.43 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1iti h ALA 52 Cb 0.76 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.75 1iti h ALA 52 CO -0.58 -0.94 -0.11 0.00 0.00 0.00 0.00 179.25 177.63 1iti h ALA 53 N -0.41 0.44 -0.78 0.00 0.00 0.09 0.22 119.26 118.83 1iti h ALA 53 Ca -0.08 0.22 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1iti h ALA 53 Cb 0.62 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.70 1iti h ALA 53 CO 0.13 -0.42 0.18 1.15 0.00 0.00 0.00 179.25 180.29 1iti h THR 54 N 0.03 0.45 0.72 0.00 2.02 -0.66 0.34 112.91 115.80 1iti h THR 54 Ca 0.29 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 1iti h THR 54 Cb 0.45 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1iti h THR 54 CO -0.58 0.04 -0.34 0.58 0.37 0.00 0.00 175.52 175.59 1iti h VAL 55 N 0.24 0.00 -1.19 3.16 2.07 -0.24 -2.45 116.25 117.84 1iti h VAL 55 Ca 0.45 -0.13 0.34 0.00 0.82 0.00 0.00 66.70 68.18 1iti h VAL 55 Cb 0.81 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1iti h VAL 55 CO -0.56 0.00 0.84 -0.07 0.02 0.00 0.00 177.57 177.80 1iti h LEU 56 N -1.09 0.09 0.56 2.57 3.38 -0.46 -0.61 115.31 119.76 1iti h LEU 56 Ca -0.10 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1iti h LEU 56 Cb 0.74 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1iti h LEU 56 CO 0.16 0.01 -0.27 -0.09 0.09 0.00 0.00 178.44 178.34 1iti h ARG 57 N 0.07 -0.73 0.00 1.13 2.43 0.10 -1.81 114.38 115.58 1iti h ARG 57 Ca 0.59 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1iti h ARG 57 Cb 2.19 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.90 1iti h ARG 57 CO -0.08 -0.48 0.00 0.00 -1.51 0.00 0.00 179.97 177.90 1iti n GLN 58 N -4.10 0.17 0.00 0.20 10.64 -0.51 -1.61 117.38 122.18 1iti n GLN 58 Ca -0.09 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1iti n GLN 58 Cb 0.30 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 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 -1.17 0.00 1.05 2.61 7.35 -0.35 -2.61 117.46 124.33 1iti n PHE 59 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.84 1iti n PHE 59 Cb 0.05 -0.40 0.55 0.00 0.35 0.00 0.00 39.48 40.03 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 -2.05 0.00 -0.05 -5.13 0.18 -0.90 -1.36 117.16 107.85 1iti n TYR 60 Ca 0.00 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.59 1iti n TYR 60 Cb 0.00 -0.26 -0.13 0.00 -0.38 0.00 0.00 39.34 38.57 1iti n TYR 60 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1iti n SER 61 N -1.26 1.91 0.09 9.48 7.64 -0.63 -3.01 113.62 127.84 1iti n SER 61 Ca 0.11 0.09 0.10 0.00 1.01 0.00 0.00 58.87 60.18 1iti n SER 61 Cb 0.16 -0.58 -0.02 0.00 -1.01 0.00 0.00 64.21 62.77 1iti n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1iti n HIS 62 N -3.35 0.96 -0.10 1.43 8.25 -1.07 -4.08 115.22 117.25 1iti n HIS 62 Ca -0.36 0.29 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 1iti n HIS 62 Cb 1.03 -0.98 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1iti n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1iti n HIS 63 N -2.71 0.75 0.30 4.41 8.25 -0.46 -3.41 115.22 122.35 1iti n HIS 63 Ca -0.02 0.33 0.08 0.00 -0.26 0.00 0.00 57.72 57.85 1iti n HIS 63 Cb 0.60 -0.98 0.42 0.00 1.12 0.00 0.00 29.99 31.15 1iti n HIS 63 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1iti h GLU 64 N -1.00 0.00 0.00 -0.41 4.81 -1.69 1.17 114.58 117.45 1iti h GLU 64 Ca -0.32 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.68 1iti h GLU 64 Cb 1.18 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1iti h GLU 64 CO -0.19 0.00 -1.80 1.63 -0.73 0.00 0.00 179.01 177.92 1iti n LYS 65 N -2.56 0.65 -1.96 1.92 5.02 -1.26 -4.93 118.16 115.04 1iti n LYS 65 Ca -0.01 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.11 1iti n LYS 65 Cb 0.61 -1.70 0.03 0.00 -0.02 0.00 0.00 35.03 33.96 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iti s ASP 66 N -5.62 5.74 -0.49 4.39 -1.08 0.40 -4.96 116.67 115.05 1iti s ASP 66 Ca -0.06 1.17 -0.01 0.00 -0.52 0.00 0.00 52.55 53.14 1iti s ASP 66 Cb 0.08 -2.09 0.39 0.00 -1.46 0.00 0.00 42.92 39.85 1iti s ASP 66 CO 0.83 -1.14 1.96 0.35 0.52 0.00 0.00 175.17 177.70 1iti n THR 67 N -2.85 3.17 0.00 1.71 -2.24 -1.26 -4.48 114.28 108.32 1iti n THR 67 Ca 0.06 -2.21 0.00 0.00 -2.27 0.00 0.00 64.05 59.63 1iti n THR 67 Cb 0.56 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.48 0.00 0.00 -0.78 1.74 -1.26 -3.66 116.66 112.21 1iti n ARG 68 Ca 0.49 0.15 0.09 0.00 -0.77 0.00 0.00 57.85 57.80 1iti n ARG 68 Cb 0.80 -0.63 0.51 0.00 -1.02 0.00 0.00 32.46 32.12 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 -0.95 0.75 0.00 0.00 4.77 -1.26 -4.90 117.00 115.40 1iti n LEU 70 Ca 0.13 0.28 0.05 0.00 -0.03 0.00 0.00 56.01 56.44 1iti n LEU 70 Cb 0.06 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.51 1iti n LEU 70 CO 0.10 -0.45 -0.07 0.61 -1.33 0.00 0.00 177.39 176.25 1iti n GLY 71 N 1.60 -2.18 0.08 -0.72 0.00 -1.24 -4.35 105.19 98.39 1iti n GLY 71 Ca -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.31 1.91 -1.48 4.61 0.00 -1.26 -4.89 120.51 118.09 1iti n ALA 72 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1iti n ALA 72 Cb 0.16 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1iti n ALA 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -2.75 1.92 -0.00 0.00 -2.24 -1.26 -4.90 114.28 105.05 1iti n THR 73 Ca -0.17 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 1iti n THR 73 Cb 0.91 -0.64 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti h ALA 74 N 0.92 0.18 -0.45 6.98 0.00 -1.94 -3.06 119.26 121.90 1iti h ALA 74 Ca -0.41 -1.08 0.06 0.00 0.00 0.00 0.00 54.91 53.49 1iti h ALA 74 Cb 1.39 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.64 1iti h ALA 74 CO 0.52 0.80 0.30 -0.56 0.00 0.00 0.00 179.25 180.31 1iti h GLN 75 N -0.37 0.34 0.01 0.00 3.07 -1.99 -0.31 115.11 115.87 1iti h GLN 75 Ca -0.30 -0.02 -0.19 0.00 0.09 0.00 0.00 58.65 58.23 1iti h GLN 75 Cb 1.71 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 29.17 1iti h GLN 75 CO 0.04 0.23 -0.91 0.37 0.09 0.00 0.00 178.83 178.65 1iti h GLN 76 N 0.35 0.07 -0.26 0.06 5.75 -1.90 -2.32 115.11 116.86 1iti h GLN 76 Ca 0.20 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1iti h GLN 76 Cb 0.33 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1iti h GLN 76 CO -0.05 0.92 0.11 0.35 -2.65 0.00 0.00 178.83 177.52 1iti h PHE 77 N 0.03 0.39 0.22 3.99 3.04 -0.95 -0.24 116.94 123.42 1iti h PHE 77 Ca -0.03 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1iti h PHE 77 Cb 1.58 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.97 1iti h PHE 77 CO 0.01 0.39 -0.11 1.25 -2.02 0.00 0.00 178.31 177.84 1iti h HIS 78 N 0.28 -0.28 0.00 0.41 2.76 -1.49 -2.05 115.15 114.78 1iti h HIS 78 Ca 0.09 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1iti h HIS 78 Cb 0.16 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1iti h HIS 78 CO -0.01 0.11 0.29 -0.09 -1.30 0.00 0.00 177.93 176.93 1iti h ARG 79 N -0.83 0.00 0.02 5.26 2.43 -1.42 -1.03 114.38 118.81 1iti h ARG 79 Ca -0.03 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1iti h ARG 79 Cb 0.51 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1iti h ARG 79 CO 0.05 0.00 -0.58 1.25 -1.51 0.00 0.00 179.97 179.18 1iti h HIS 80 N 0.00 0.09 -0.76 2.20 2.76 -0.79 -3.29 115.15 115.36 1iti h HIS 80 Ca 0.00 -0.07 0.16 0.00 -2.20 0.00 0.00 60.37 58.27 1iti h HIS 80 Cb 0.59 -0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.43 1iti h HIS 80 CO 0.00 1.22 0.23 0.87 -1.30 0.00 0.00 177.93 178.95 1iti h LYS 81 N -0.87 0.31 -0.84 5.26 1.79 -0.46 0.26 116.57 122.00 1iti h LYS 81 Ca -0.14 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.42 1iti h LYS 81 Cb 1.22 -0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.72 1iti h LYS 81 CO -0.04 0.20 0.47 1.96 -1.08 0.00 0.00 179.45 180.96 1iti h GLN 82 N 0.31 0.74 0.60 3.15 4.20 -1.62 -1.90 115.11 120.59 1iti h GLN 82 Ca 0.43 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 1iti h GLN 82 Cb 0.74 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1iti h GLN 82 CO -0.50 0.49 -0.42 1.25 -0.67 0.00 0.00 178.83 178.99 1iti h LEU 83 N 0.76 -1.07 -0.96 1.46 6.46 -0.57 -0.85 115.31 120.53 1iti h LEU 83 Ca 0.42 0.07 0.25 0.00 -0.12 0.00 0.00 57.88 58.50 1iti h LEU 83 Cb 0.44 0.33 -0.13 0.00 -0.73 0.00 0.00 40.66 40.57 1iti h LEU 83 CO -0.28 -0.62 0.50 0.40 -0.62 0.00 0.00 178.44 177.82 1iti h ILE 84 N -0.97 0.45 -0.68 4.05 1.08 -1.01 0.57 117.51 121.00 1iti h ILE 84 Ca -0.07 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.19 1iti h ILE 84 Cb 0.81 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1iti h ILE 84 CO 0.04 0.08 0.19 0.03 -0.69 0.00 0.00 178.15 177.80 1iti h ARG 85 N 0.45 1.05 0.03 2.37 3.08 -0.59 0.69 114.38 121.45 1iti h ARG 85 Ca 0.63 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.45 1iti h ARG 85 Cb 1.26 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1iti h ARG 85 CO -0.53 0.92 -0.01 0.74 -1.07 0.00 0.00 179.97 180.01 1iti h PHE 86 N 1.01 -0.03 0.08 3.04 0.04 0.15 -1.39 116.94 119.84 1iti h PHE 86 Ca 0.22 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 1iti h PHE 86 Cb 0.32 0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1iti h PHE 86 CO 0.02 0.15 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.77 1iti h LEU 87 N -0.21 -0.09 -2.15 1.54 3.38 -1.09 -1.80 115.31 114.87 1iti h LEU 87 Ca -0.00 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1iti h LEU 87 Cb 0.20 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1iti h LEU 87 CO 0.01 0.10 0.29 0.11 0.09 0.00 0.00 178.44 179.04 1iti h LYS 88 N -0.29 0.00 0.00 1.13 1.57 -0.82 0.25 116.57 118.41 1iti h LYS 88 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iti h LYS 88 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1iti h LYS 88 CO 0.02 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.77 1iti n ARG 89 N -3.37 0.00 0.11 3.15 0.63 -0.53 -3.52 116.66 113.13 1iti n ARG 89 Ca 0.01 0.50 0.08 0.00 -0.92 0.00 0.00 57.85 57.52 1iti n ARG 89 Cb 0.40 -1.09 0.41 0.00 0.45 0.00 0.00 32.46 32.62 1iti n ARG 89 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1iti n LEU 90 N -1.99 0.39 -0.16 6.15 -0.00 -0.98 -1.62 117.00 118.78 1iti n LEU 90 Ca 0.00 0.68 -0.10 0.00 -0.00 0.00 0.00 56.01 56.59 1iti n LEU 90 Cb 0.00 -0.72 -0.00 0.00 -0.00 0.00 0.00 43.42 42.70 1iti n LEU 90 CO 0.00 -0.81 0.79 -0.78 -0.00 0.00 0.00 177.39 176.59 1iti h ASP 91 N 0.00 0.81 0.86 1.45 3.58 -0.55 -2.31 116.42 120.26 1iti h ASP 91 Ca 0.00 -0.31 -0.21 0.00 0.42 0.00 0.00 57.03 56.92 1iti h ASP 91 Cb 0.03 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 1iti h ASP 91 CO 0.00 0.93 -1.23 0.03 -2.88 0.00 0.00 179.24 176.09 1iti h ARG 92 N 0.68 0.00 -0.05 0.28 2.47 -1.35 -3.22 114.38 113.19 1iti h ARG 92 Ca 0.13 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.81 1iti h ARG 92 Cb 0.52 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1iti h ARG 92 CO 0.03 0.64 -0.18 -0.91 0.56 0.00 0.00 179.97 180.10 1iti h ASN 93 N 0.00 0.07 1.17 7.04 -0.26 -1.39 0.68 115.58 122.89 1iti h ASN 93 Ca -0.13 -0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.43 1iti h ASN 93 Cb 1.76 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.98 1iti h ASN 93 CO 0.09 0.26 -0.84 -0.07 -1.06 0.00 0.00 177.43 175.81 1iti h LEU 94 N 0.07 0.00 -0.50 1.61 3.38 -1.48 -3.17 115.31 115.22 1iti h LEU 94 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iti h LEU 94 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1iti h LEU 94 CO 0.03 0.80 -0.24 1.87 0.09 0.00 0.00 178.44 180.98 1iti n TRP 95 N -3.28 0.00 -0.02 1.13 -0.00 -0.80 -3.94 117.44 110.53 1iti n TRP 95 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1iti n TRP 95 Cb 0.86 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.31 32.05 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 4.92 0.00 1.17 5.87 0.00 -0.86 -3.18 103.07 110.99 1iti h GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iti h GLY 96 CO 0.00 0.00 0.01 1.47 0.00 0.00 0.00 176.54 178.02 1iti n LEU 97 N -3.06 0.00 0.00 3.11 -0.00 -1.24 -3.27 117.00 112.54 1iti n LEU 97 Ca -0.01 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1iti n LEU 97 Cb 0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1iti n LEU 97 CO 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 177.39 177.30 1iti n ALA 98 N -1.09 0.00 -1.37 1.47 0.00 -1.25 -5.01 120.51 113.27 1iti n ALA 98 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1iti n ALA 98 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 2.34 0.86 3.62 0.00 0.00 -1.20 -5.03 105.19 105.79 1iti n GLY 99 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1iti n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iti s LEU 100 N 0.00 4.08 0.00 0.99 0.20 -1.26 -4.98 118.68 117.71 1iti s LEU 100 Ca 0.00 0.75 0.00 0.00 0.69 0.00 0.00 54.13 55.57 1iti s LEU 100 Cb 0.00 -2.99 0.00 0.00 -0.43 0.00 0.00 46.19 42.77 1iti s LEU 100 CO 0.00 -0.48 0.32 0.59 -0.29 0.00 0.00 176.35 176.49 1iti n ASN 101 N 5.93 0.00 -4.65 3.68 3.02 -1.26 -4.68 115.26 117.30 1iti n ASN 101 Ca 0.02 0.37 -0.40 0.00 -0.03 0.00 0.00 54.58 54.54 1iti n ASN 101 Cb 0.48 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.48 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1iti s SER 102 N -1.73 6.64 -0.42 6.41 0.15 -1.26 -4.97 113.70 118.52 1iti s SER 102 Ca 0.00 0.78 0.08 0.00 0.70 0.00 0.00 55.95 57.51 1iti s SER 102 Cb 0.00 -2.34 0.27 0.00 -1.71 0.00 0.00 66.02 62.24 1iti s SER 102 CO 0.00 -0.29 0.70 0.00 1.20 0.00 0.00 173.24 174.84 1iti s PRO 104 N -0.72 3.06 -0.04 0.00 0.05 -1.26 -4.91 135.00 131.19 1iti s PRO 104 Ca 0.34 1.94 -0.14 0.00 0.05 0.00 0.00 61.00 63.19 1iti s PRO 104 Cb 0.22 -2.05 -0.05 0.00 0.05 0.00 0.00 34.50 32.66 1iti s PRO 104 CO -0.14 -1.17 0.36 0.54 0.05 0.00 0.00 177.00 176.64 1iti s VAL 105 N -1.49 5.14 0.00 -0.36 0.11 -1.26 -5.02 120.40 117.51 1iti s VAL 105 Ca 0.75 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1iti s VAL 105 Cb -0.33 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1iti s VAL 105 CO 0.37 0.55 0.00 1.17 -3.33 0.00 0.00 175.10 173.86 1iti n LYS 106 N 2.13 0.11 -0.76 1.54 4.81 -1.26 -5.11 118.16 119.61 1iti n LYS 106 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1iti n LYS 106 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1iti n GLU 107 N 0.00 1.34 0.00 1.64 1.02 -1.26 -5.14 120.64 118.25 1iti n GLU 107 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1iti n GLU 107 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 -3.00 0.00 -1.65 0.62 0.00 -1.26 -4.93 120.51 110.29 1iti n ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iti n ALA 108 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -3.58 0.00 8.00 -1.26 -4.89 116.55 114.82 1iti n ASP 109 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1iti n ASP 109 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1iti s GLN 110 N 0.96 0.93 0.05 -1.24 0.74 -1.26 -4.32 119.66 115.52 1iti s GLN 110 Ca 0.00 -0.41 -0.27 0.00 0.05 0.00 0.00 55.36 54.73 1iti s GLN 110 Cb 0.00 0.38 0.09 0.00 1.10 0.00 0.00 33.01 34.59 1iti s GLN 110 CO 0.00 -0.41 0.80 -1.54 -0.55 0.00 0.00 175.29 173.59 1iti s SER 111 N -2.63 -0.42 0.11 6.67 1.04 -0.34 -4.36 113.70 113.78 1iti s SER 111 Ca 0.07 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 1iti s SER 111 Cb -0.01 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 1iti s SER 111 CO -0.06 -0.73 0.45 0.42 0.98 0.00 0.00 173.24 174.30 1iti s THR 112 N -3.31 5.03 0.38 2.02 -4.23 -1.26 0.01 115.64 114.28 1iti s THR 112 Ca 0.04 0.51 0.09 0.00 -1.18 0.00 0.00 61.69 61.15 1iti s THR 112 Cb -0.01 -3.66 0.32 0.00 1.34 0.00 0.00 72.50 70.48 1iti s THR 112 CO -0.10 0.23 1.93 0.25 -0.54 0.00 0.00 174.62 176.38 1iti h LEU 113 N 3.50 0.58 0.00 4.79 5.85 -1.69 0.39 115.31 128.74 1iti h LEU 113 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1iti h LEU 113 Cb 1.19 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1iti h LEU 113 CO 0.67 0.34 0.00 1.21 -0.34 0.00 0.00 178.44 180.32 1iti n GLU 114 N -4.50 0.00 -0.26 1.25 4.07 -1.26 -1.09 120.64 118.85 1iti n GLU 114 Ca 0.13 0.22 0.07 0.00 -0.06 0.00 0.00 57.16 57.52 1iti n GLU 114 Cb 0.37 -1.10 0.20 0.00 -0.06 0.00 0.00 31.44 30.84 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1iti h ASN 115 N 0.00 0.07 -0.84 4.31 2.35 -1.96 0.25 115.58 119.77 1iti h ASN 115 Ca 0.00 0.15 0.14 0.00 -0.55 0.00 0.00 56.30 56.04 1iti h ASN 115 Cb 0.00 0.18 -0.09 0.00 0.05 0.00 0.00 38.32 38.46 1iti h ASN 115 CO 0.00 -0.02 0.42 0.15 -1.65 0.00 0.00 177.43 176.33 1iti h PHE 116 N 0.30 0.74 0.00 1.19 3.04 -0.25 0.57 116.94 122.53 1iti h PHE 116 Ca 0.44 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.41 1iti h PHE 116 Cb 0.75 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 1iti h PHE 116 CO -0.24 0.18 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.12 1iti h LEU 117 N 0.61 0.00 0.02 0.59 3.38 0.11 -2.54 115.31 117.48 1iti h LEU 117 Ca 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1iti h LEU 117 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1iti h LEU 117 CO -0.36 0.04 -0.01 -0.08 0.09 0.00 0.00 178.44 178.12 1iti h GLU 118 N 0.00 -0.02 -0.98 1.13 4.57 0.94 -2.44 114.58 117.77 1iti h GLU 118 Ca -0.00 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.44 1iti h GLU 118 Cb 0.54 0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 29.01 1iti h GLU 118 CO 0.00 -0.02 0.54 0.07 -1.18 0.00 0.00 179.01 178.43 1iti h ARG 119 N -0.25 0.48 0.88 1.92 0.11 -1.35 -0.82 114.38 115.35 1iti h ARG 119 Ca -0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1iti h ARG 119 Cb 0.02 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.00 1iti h ARG 119 CO 0.00 0.32 -0.42 1.25 0.10 0.00 0.00 179.97 181.22 1iti h LEU 120 N 0.49 -1.00 -0.94 0.08 6.46 -1.57 0.64 115.31 119.48 1iti h LEU 120 Ca 0.64 0.03 0.24 0.00 -0.12 0.00 0.00 57.88 58.68 1iti h LEU 120 Cb 1.28 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 41.33 1iti h LEU 120 CO -0.51 -0.67 0.45 0.50 -0.62 0.00 0.00 178.44 177.59 1iti h LYS 121 N -1.26 0.40 0.24 1.25 3.64 -0.69 -0.07 116.57 120.08 1iti h LYS 121 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1iti h LYS 121 Cb 0.91 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1iti h LYS 121 CO 0.20 0.26 -0.11 1.15 -2.27 0.00 0.00 179.45 178.68 1iti h THR 122 N 0.41 0.83 -0.89 1.00 2.02 -0.87 -2.72 112.91 112.68 1iti h THR 122 Ca 0.61 -0.52 0.22 0.00 0.77 0.00 0.00 66.41 67.48 1iti h THR 122 Cb 1.21 1.12 -0.12 0.00 -1.74 0.00 0.00 68.15 68.61 1iti h THR 122 CO -0.54 0.11 0.38 0.40 0.37 0.00 0.00 175.52 176.24 1iti h ILE 123 N -0.60 0.47 0.32 3.11 2.04 0.91 -0.15 117.51 123.62 1iti h ILE 123 Ca -0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1iti h ILE 123 Cb 0.43 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1iti h ILE 123 CO 0.05 0.07 -0.25 0.24 0.00 0.00 0.00 178.15 178.26 1iti h MET 124 N 0.39 -0.56 -0.41 2.37 2.86 -1.04 -0.23 114.93 118.31 1iti h MET 124 Ca 0.56 0.04 0.12 0.00 -2.06 0.00 0.00 59.70 58.35 1iti h MET 124 Cb 1.06 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 1iti h MET 124 CO -0.53 -0.37 0.49 -0.09 1.06 0.00 0.00 176.91 177.46 1iti h ARG 125 N -0.58 0.00 0.16 1.72 9.65 -0.74 0.78 114.38 125.38 1iti h ARG 125 Ca -0.02 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1iti h ARG 125 Cb 0.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 1iti h ARG 125 CO -0.01 0.00 -0.08 1.49 2.80 0.00 0.00 179.97 184.17 1iti h GLU 126 N 0.00 -0.21 -0.03 0.20 4.22 -0.33 -3.19 114.58 115.24 1iti h GLU 126 Ca 0.20 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.65 1iti h GLU 126 Cb 1.17 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1iti h GLU 126 CO -0.00 0.20 0.00 1.63 -2.18 0.00 0.00 179.01 178.66 1iti n LYS 127 N -4.92 1.21 0.00 1.92 5.02 -0.48 -3.76 118.16 117.16 1iti n LYS 127 Ca -0.07 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 55.90 1iti n LYS 127 Cb 0.26 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.54 0.00 -2.57 2.13 9.36 0.26 -4.75 117.16 121.05 1iti n TYR 128 Ca 0.18 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 61.00 1iti n TYR 128 Cb 0.16 -0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.82 1iti n TYR 128 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1iti s SER 129 N -1.48 7.37 0.00 2.98 1.04 -1.25 -4.93 113.70 117.44 1iti s SER 129 Ca 0.00 2.09 0.00 0.00 0.48 0.00 0.00 55.95 58.52 1iti s SER 129 Cb 0.00 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1iti s SER 129 CO 0.00 -0.10 0.00 2.29 0.98 0.00 0.00 173.24 176.41 1iti n LYS 130 N 1.82 0.00 0.19 4.02 2.85 -1.26 -4.94 118.16 120.84 1iti n LYS 130 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1iti n LYS 130 Cb 0.46 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 35.10 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 -2.06 5.26 -0.60 0.00 3.41 -1.26 -5.07 113.62 113.29 1iti n SER 132 Ca -0.01 -2.95 0.13 0.00 -0.26 0.00 0.00 58.87 55.79 1iti n SER 132 Cb 0.50 -0.90 0.42 0.00 -0.26 0.00 0.00 64.21 63.97 1iti n SER 132 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34