#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 0.92 -1.63 -1.84 0.00 -1.26 -4.90 120.51 111.81 1iti n ALA 2 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1iti n ALA 2 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1iti n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1iti n GLU 3 N 2.38 0.00 -2.86 0.00 0.00 -1.26 -5.00 120.64 113.89 1iti n GLU 3 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.27 1iti n GLU 3 Cb 0.53 -0.10 0.01 0.00 0.00 0.00 0.00 31.44 31.89 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iti n ALA 4 N 0.00 -0.61 -3.00 4.31 0.00 -1.26 -5.13 120.51 114.81 1iti n ALA 4 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1iti n ALA 4 Cb 0.21 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.93 -0.20 -1.99 0.00 8.25 -1.26 -5.07 115.22 116.88 1iti n HIS 5 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1iti n HIS 5 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1iti n HIS 5 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iti n LYS 6 N 0.00 0.00 -1.58 -0.41 5.02 -1.26 -5.11 118.16 114.82 1iti n LYS 6 Ca 0.00 -0.62 -0.45 0.00 -2.02 0.00 0.00 58.31 55.22 1iti n LYS 6 Cb 0.00 -0.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.68 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iti s ASP 8 N -0.50 7.18 -0.03 0.00 -1.08 -1.26 -4.97 116.67 116.01 1iti s ASP 8 Ca 0.61 1.51 0.16 0.00 -0.52 0.00 0.00 52.55 54.30 1iti s ASP 8 Cb -0.73 -2.45 -0.20 0.00 -1.46 0.00 0.00 42.92 38.07 1iti s ASP 8 CO 0.59 0.09 0.61 0.00 0.52 0.00 0.00 175.17 176.97 1iti n ILE 9 N 1.02 1.33 -0.18 4.11 3.06 -1.26 -4.17 119.36 123.27 1iti n ILE 9 Ca -0.03 -0.75 -0.03 0.00 -2.50 0.00 0.00 62.75 59.44 1iti n ILE 9 Cb 0.50 -0.77 0.07 0.00 0.54 0.00 0.00 39.64 39.99 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 0.86 0.00 9.51 2.02 -2.00 0.26 112.91 123.57 1iti h THR 10 Ca -0.27 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1iti h THR 10 Cb 1.84 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1iti h THR 10 CO 0.05 0.08 -0.00 -0.07 0.37 0.00 0.00 175.52 175.95 1iti h LEU 11 N 0.44 0.00 0.02 2.58 3.38 -2.00 -1.60 115.31 118.13 1iti h LEU 11 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1iti h LEU 11 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1iti h LEU 11 CO -0.23 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.68 1iti h GLN 12 N 0.00 -0.03 -0.22 1.13 4.15 -0.67 -2.76 115.11 116.72 1iti h GLN 12 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.49 1iti h GLN 12 Cb 0.05 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1iti h GLN 12 CO 0.00 -0.02 0.46 1.05 -1.93 0.00 0.00 178.83 178.39 1iti h GLU 13 N -0.20 0.00 0.32 1.69 -0.00 -1.39 -1.08 114.58 113.92 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 0.02 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 -0.15 0.82 -0.00 0.00 0.00 179.01 179.68 1iti h ILE 14 N 0.00 0.41 -0.26 -1.06 2.04 -1.35 -2.35 117.51 114.94 1iti h ILE 14 Ca 0.11 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.24 1iti h ILE 14 Cb 1.03 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.71 1iti h ILE 14 CO -0.00 0.10 -0.23 0.40 0.00 0.00 0.00 178.15 178.42 1iti h ILE 15 N -0.99 0.40 -0.53 -0.67 2.04 -0.90 0.49 117.51 117.35 1iti h ILE 15 Ca -0.04 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.92 1iti h ILE 15 Cb 0.49 0.40 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 1iti h ILE 15 CO 0.07 0.00 -0.05 0.50 0.00 0.00 0.00 178.15 178.67 1iti h LYS 16 N -0.23 0.06 -0.56 2.37 1.63 -1.53 0.37 116.57 118.69 1iti h LYS 16 Ca 0.14 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1iti h LYS 16 Cb 0.45 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.03 1iti h LYS 16 CO -0.39 0.04 0.33 1.15 -3.45 0.00 0.00 179.45 177.13 1iti h THR 17 N 0.07 1.04 -0.75 1.00 2.02 -0.60 -1.91 112.91 113.78 1iti h THR 17 Ca 0.27 -0.22 0.06 0.00 0.77 0.00 0.00 66.41 67.28 1iti h THR 17 Cb 0.41 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.10 1iti h THR 17 CO -0.49 0.12 0.44 -0.07 0.37 0.00 0.00 175.52 175.89 1iti h LEU 18 N 0.65 0.66 -0.79 2.58 3.38 0.11 -1.34 115.31 120.56 1iti h LEU 18 Ca 0.23 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1iti h LEU 18 Cb 0.05 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1iti h LEU 18 CO -0.11 0.42 0.48 0.78 0.09 0.00 0.00 178.44 180.10 1iti h ASN 19 N 0.80 0.74 -0.76 -0.43 4.21 -0.37 -1.34 115.58 118.43 1iti h ASN 19 Ca 0.33 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.90 1iti h ASN 19 Cb 0.19 -0.13 -0.05 0.00 -1.12 0.00 0.00 38.32 37.22 1iti h ASN 19 CO -0.18 0.47 0.48 0.28 -1.29 0.00 0.00 177.43 177.19 1iti h SER 20 N 0.87 0.80 -0.03 5.81 0.02 -0.86 -2.24 113.55 117.92 1iti h SER 20 Ca 0.35 -0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1iti h SER 20 Cb 0.18 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1iti h SER 20 CO -0.18 0.55 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.98 1iti h LEU 21 N 0.94 -0.04 -1.86 5.07 3.38 -0.84 -1.31 115.31 120.65 1iti h LEU 21 Ca 0.30 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.44 1iti h LEU 21 Cb 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1iti h LEU 21 CO -0.11 -0.02 0.42 0.71 0.09 0.00 0.00 178.44 179.54 1iti h THR 22 N -0.01 0.75 0.00 0.22 1.35 -0.94 0.33 112.91 114.61 1iti h THR 22 Ca 0.02 -0.05 -0.09 0.00 -0.55 0.00 0.00 66.41 65.74 1iti h THR 22 Cb 0.03 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1iti h THR 22 CO -0.03 0.02 -0.42 -0.33 -0.25 0.00 0.00 175.52 174.51 1iti h GLU 23 N 0.14 0.00 -6.25 4.72 4.39 -0.68 -3.43 114.58 113.47 1iti h GLU 23 Ca 0.29 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.42 1iti h GLU 23 Cb 0.96 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 1iti h GLU 23 CO -0.04 0.42 -0.20 -0.65 -1.16 0.00 0.00 179.01 177.38 1iti s GLN 24 N -3.82 3.77 -0.06 2.33 -1.52 0.12 -5.09 119.66 115.38 1iti s GLN 24 Ca -0.01 0.18 -0.10 0.00 -1.95 0.00 0.00 55.36 53.48 1iti s GLN 24 Cb 0.13 -2.85 0.02 0.00 -0.22 0.00 0.00 33.01 30.09 1iti s GLN 24 CO 0.71 0.45 0.25 0.15 -0.25 0.00 0.00 175.29 176.61 1iti s LYS 25 N -2.37 0.42 0.00 2.91 1.02 -1.26 -4.92 119.74 115.54 1iti s LYS 25 Ca 0.40 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1iti s LYS 25 Cb -0.13 0.19 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 1iti s LYS 25 CO 0.21 -0.08 0.00 0.25 -0.92 0.00 0.00 175.35 174.80 1iti n THR 26 N 2.32 0.00 0.18 2.17 -2.24 -1.26 -5.03 114.28 110.42 1iti n THR 26 Ca -0.16 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1iti n THR 26 Cb 0.57 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.00 3.22 8.10 -1.97 -3.15 115.31 121.51 1iti h LEU 27 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1iti h LEU 27 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1iti h LEU 27 CO 0.00 0.20 0.00 0.00 -4.11 0.00 0.00 178.44 174.53 1iti n THR 29 N -0.89 0.00 1.46 0.00 -2.24 -1.19 -3.56 114.28 107.87 1iti n THR 29 Ca 0.05 -0.06 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1iti n THR 29 Cb 0.02 0.24 0.56 0.00 -2.10 0.00 0.00 70.33 69.06 1iti n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 30 N -1.08 1.10 -3.00 -0.78 -0.58 -0.47 -4.27 120.64 111.56 1iti n GLU 30 Ca 0.09 -0.53 -0.40 0.00 -0.42 0.00 0.00 57.16 55.91 1iti n GLU 30 Cb 0.33 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.66 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 -2.26 4.51 -0.25 -4.62 1.43 -1.23 -5.00 118.68 111.25 1iti s LEU 31 Ca 0.33 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.70 1iti s LEU 31 Cb 0.20 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1iti s LEU 31 CO 0.43 0.10 0.75 0.42 0.23 0.00 0.00 176.35 178.28 1iti s THR 32 N -0.51 4.88 0.26 5.49 -4.23 -1.26 -3.38 115.64 116.89 1iti s THR 32 Ca 0.37 1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 62.14 1iti s THR 32 Cb -0.21 -4.06 -0.08 0.00 1.34 0.00 0.00 72.50 69.49 1iti s THR 32 CO 0.24 -0.06 0.61 0.68 -0.54 0.00 0.00 174.62 175.56 1iti s VAL 33 N 2.74 4.84 -0.38 2.29 -7.23 0.30 -4.79 120.40 118.16 1iti s VAL 33 Ca 0.32 0.65 -0.27 0.00 -1.81 0.00 0.00 61.98 60.86 1iti s VAL 33 Cb -0.15 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 1iti s VAL 33 CO 0.08 -0.10 2.18 -0.89 -0.31 0.00 0.00 175.10 176.05 1iti s THR 34 N -1.87 3.13 1.02 5.32 2.01 -1.26 -1.12 115.64 122.87 1iti s THR 34 Ca 0.50 0.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.44 1iti s THR 34 Cb -0.11 -3.23 0.11 0.00 0.01 0.00 0.00 72.50 69.28 1iti s THR 34 CO 0.20 -0.19 0.03 -0.67 -0.69 0.00 0.00 174.62 173.30 1iti n ASP 35 N 13.14 -2.79 0.00 3.53 2.03 -1.25 -4.85 116.55 126.36 1iti n ASP 35 Ca 0.30 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1iti n ASP 35 Cb 0.50 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 -4.28 0.00 0.74 5.18 -5.35 -1.26 -4.65 119.36 109.73 1iti n ILE 36 Ca 0.03 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.63 1iti n ILE 36 Cb 0.46 0.00 0.49 0.00 -1.74 0.00 0.00 39.64 38.84 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 -1.01 0.25 1.42 4.28 3.72 -1.26 -2.94 117.46 121.92 1iti n PHE 37 Ca 0.00 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1iti n PHE 37 Cb 0.00 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 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 -1.58 2.31 -1.78 4.37 0.00 -1.26 -3.02 120.51 119.54 1iti n ALA 38 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1iti n ALA 38 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.32 1.19 -2.34 0.00 0.00 -1.15 -4.69 120.51 113.19 1iti n ALA 39 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1iti n ALA 39 Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.05 7.00 0.00 0.00 0.15 -1.17 -4.83 113.70 114.80 1iti s SER 40 Ca 0.00 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.74 1iti s SER 40 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1iti s SER 40 CO 0.00 -0.54 0.00 0.29 1.20 0.00 0.00 173.24 174.19 1iti n LYS 41 N 4.09 0.00 -0.37 5.44 5.02 -1.26 -4.91 118.16 126.17 1iti n LYS 41 Ca 0.10 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 1iti n LYS 41 Cb 0.45 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.69 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 -0.95 3.10 -4.64 4.39 5.68 -1.26 -4.85 116.55 118.02 1iti n ASP 42 Ca 0.00 -2.23 -0.39 0.00 -0.50 0.00 0.00 54.79 51.66 1iti n ASP 42 Cb 0.00 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.47 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 -1.67 5.10 1.05 2.12 -4.23 -1.26 -5.06 115.64 111.69 1iti s THR 43 Ca 0.33 0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 61.55 1iti s THR 43 Cb 0.20 -3.82 0.24 0.00 1.34 0.00 0.00 72.50 70.46 1iti s THR 43 CO 0.17 0.14 1.26 0.42 -0.54 0.00 0.00 174.62 176.07 1iti s THR 44 N 1.97 1.86 0.34 3.99 -4.23 -1.26 -4.75 115.64 113.56 1iti s THR 44 Ca 0.22 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.79 1iti s THR 44 Cb -0.15 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.15 1iti s THR 44 CO 0.09 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.75 1iti h GLU 45 N -2.00 0.78 -0.19 3.99 3.07 -1.98 -1.75 114.58 116.51 1iti h GLU 45 Ca -0.44 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.40 1iti h GLU 45 Cb 1.25 -0.18 -0.06 0.00 -0.84 0.00 0.00 28.75 28.92 1iti h GLU 45 CO 0.35 0.52 -0.52 0.87 -1.40 0.00 0.00 179.01 178.82 1iti h LYS 46 N 0.80 -0.50 -0.57 2.33 1.79 -2.00 0.91 116.57 119.33 1iti h LYS 46 Ca 0.39 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.86 1iti h LYS 46 Cb 0.44 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.17 1iti h LYS 46 CO -0.16 -0.33 0.22 0.93 -1.08 0.00 0.00 179.45 179.03 1iti h GLU 47 N -0.52 0.84 -0.59 3.15 5.08 -1.79 -2.47 114.58 118.28 1iti h GLU 47 Ca 0.04 -0.13 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1iti h GLU 47 Cb 0.63 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.67 1iti h GLU 47 CO -0.45 0.69 0.22 1.15 -1.00 0.00 0.00 179.01 179.62 1iti h THR 48 N 0.82 0.78 -0.61 1.13 2.02 -0.15 0.23 112.91 117.13 1iti h THR 48 Ca 0.19 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.15 1iti h THR 48 Cb 0.18 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1iti h THR 48 CO -0.02 0.07 0.05 -0.26 0.37 0.00 0.00 175.52 175.73 1iti h PHE 49 N 0.40 1.12 0.51 3.16 0.04 -0.47 -1.69 116.94 120.01 1iti h PHE 49 Ca 0.29 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1iti h PHE 49 Cb 0.35 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.21 1iti h PHE 49 CO -0.17 0.97 -0.25 0.00 -0.60 0.00 0.00 178.31 178.26 1iti h ARG 51 N -0.90 0.47 0.27 0.00 3.08 -0.65 0.21 114.38 116.86 1iti h ARG 51 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1iti h ARG 51 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1iti h ARG 51 CO 0.12 0.31 -0.13 0.00 -1.07 0.00 0.00 179.97 179.20 1iti h ALA 52 N 1.77 -0.36 -0.89 0.04 0.00 -1.20 -2.62 119.26 116.01 1iti h ALA 52 Ca 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1iti h ALA 52 Cb 1.39 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 1iti h ALA 52 CO -0.52 -0.67 0.51 0.00 0.00 0.00 0.00 179.25 178.57 1iti h ALA 53 N 0.29 1.23 -0.61 0.00 0.00 0.07 -2.38 119.26 117.86 1iti h ALA 53 Ca -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 54.88 1iti h ALA 53 Cb 0.32 -0.36 -0.10 0.00 0.00 0.00 0.00 17.79 17.66 1iti h ALA 53 CO 0.06 0.64 0.05 1.15 0.00 0.00 0.00 179.25 181.15 1iti h THR 54 N 1.23 0.54 0.72 0.00 2.02 -0.39 0.23 112.91 117.26 1iti h THR 54 Ca 0.32 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 1iti h THR 54 Cb -0.01 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1iti h THR 54 CO -0.06 0.03 -0.35 0.58 0.37 0.00 0.00 175.52 176.10 1iti h VAL 55 N 0.17 0.00 -1.27 3.16 2.07 -1.08 -2.34 116.25 116.95 1iti h VAL 55 Ca 0.32 -0.12 0.37 0.00 0.82 0.00 0.00 66.70 68.09 1iti h VAL 55 Cb 0.51 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1iti h VAL 55 CO -0.48 0.00 0.92 -0.07 0.02 0.00 0.00 177.57 177.96 1iti h LEU 56 N -1.09 0.00 0.43 2.57 3.38 -1.12 -0.54 115.31 118.95 1iti h LEU 56 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1iti h LEU 56 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iti h LEU 56 CO 0.16 0.00 -0.20 -0.09 0.09 0.00 0.00 178.44 178.40 1iti h ARG 57 N 0.00 -0.55 0.00 1.13 2.43 -0.03 -2.42 114.38 114.94 1iti h ARG 57 Ca 0.60 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1iti h ARG 57 Cb 2.43 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 32.11 1iti h ARG 57 CO -0.01 -0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.09 1iti n GLN 58 N -3.89 0.13 0.00 0.20 10.64 -0.51 -1.53 117.38 122.42 1iti n GLN 58 Ca -0.07 0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1iti n GLN 58 Cb 0.23 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 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 -1.13 0.00 1.51 2.61 7.35 -0.33 -3.26 117.46 124.22 1iti n PHE 59 Ca 0.04 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.86 1iti n PHE 59 Cb 0.03 -0.37 0.74 0.00 0.35 0.00 0.00 39.48 40.23 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 -2.08 0.00 -0.02 -5.13 0.18 -1.00 -2.17 117.16 106.94 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 -0.10 -0.14 0.00 -0.38 0.00 0.00 39.34 38.72 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 -1.10 2.10 -0.06 9.48 7.64 -0.58 -3.77 113.62 127.31 1iti n SER 61 Ca 0.17 0.20 -0.04 0.00 1.01 0.00 0.00 58.87 60.21 1iti n SER 61 Cb 0.13 -0.84 -0.01 0.00 -1.01 0.00 0.00 64.21 62.48 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 -3.55 0.82 -0.18 1.43 8.25 -1.20 -3.91 115.22 116.88 1iti n HIS 62 Ca -0.33 0.36 -0.05 0.00 -0.26 0.00 0.00 57.72 57.43 1iti n HIS 62 Cb 1.01 -0.71 0.01 0.00 1.12 0.00 0.00 29.99 31.43 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 -0.87 -0.78 -1.21 4.41 3.86 -1.63 0.76 115.15 119.69 1iti h HIS 63 Ca 0.00 0.06 0.35 0.00 -1.16 0.00 0.00 60.37 59.62 1iti h HIS 63 Cb 0.43 0.42 -0.07 0.00 1.06 0.00 0.00 27.41 29.26 1iti h HIS 63 CO -0.19 -0.36 0.84 1.49 0.86 0.00 0.00 177.93 180.58 1iti h GLU 64 N -0.16 0.11 0.00 2.45 4.81 -1.69 1.30 114.58 121.39 1iti h GLU 64 Ca 0.23 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1iti h GLU 64 Cb 0.53 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1iti h GLU 64 CO -0.62 0.07 -0.77 -0.22 -0.73 0.00 0.00 179.01 176.74 1iti h LYS 65 N 0.11 0.00 -6.53 1.92 1.63 0.33 -3.45 116.57 110.59 1iti h LYS 65 Ca 0.62 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.90 1iti h LYS 65 Cb 2.19 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.79 1iti h LYS 65 CO -0.12 0.34 0.20 0.34 -3.45 0.00 0.00 179.45 176.76 1iti s ASP 66 N -6.13 7.41 0.00 4.20 -1.08 0.44 -4.91 116.67 116.60 1iti s ASP 66 Ca 0.02 1.67 -0.00 0.00 -0.52 0.00 0.00 52.55 53.71 1iti s ASP 66 Cb 0.08 -2.51 -0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1iti s ASP 66 CO 0.76 0.17 1.62 0.35 0.52 0.00 0.00 175.17 178.59 1iti n THR 67 N 1.75 1.61 -0.11 1.71 -2.24 -1.26 -3.92 114.28 111.83 1iti n THR 67 Ca -0.05 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 1iti n THR 67 Cb 0.49 -1.40 -0.07 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.60 0.54 -0.10 -0.78 5.12 -1.26 -4.36 116.66 117.42 1iti n ARG 68 Ca 0.00 0.34 0.07 0.00 -1.93 0.00 0.00 57.85 56.33 1iti n ARG 68 Cb 0.40 -1.55 0.27 0.00 -1.16 0.00 0.00 32.46 30.42 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti h LEU 70 N 1.60 0.09 0.00 0.00 3.38 -1.76 -3.47 115.31 115.16 1iti h LEU 70 Ca 0.00 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.11 1iti h LEU 70 Cb 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1iti h LEU 70 CO 0.00 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.36 1iti n GLY 71 N 1.59 0.04 0.00 0.83 0.00 -1.25 -4.38 105.19 102.01 1iti n GLY 71 Ca -0.17 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 5.24 0.95 -0.80 4.61 0.00 -1.26 -5.03 120.51 124.23 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 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -1.03 0.00 -0.02 0.00 -2.24 -1.26 -4.83 114.28 104.90 1iti n THR 73 Ca 0.00 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 1iti n THR 73 Cb 0.00 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.63 0.73 -0.26 6.98 0.00 -1.99 -2.90 119.26 120.20 1iti h ALA 74 Ca -0.47 -1.45 -0.20 0.00 0.00 0.00 0.00 54.91 52.80 1iti h ALA 74 Cb 1.32 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1iti h ALA 74 CO 0.33 1.55 -0.60 -0.56 0.00 0.00 0.00 179.25 179.97 1iti h GLN 75 N 0.01 0.86 0.00 0.00 3.07 -2.01 -2.99 115.11 114.05 1iti h GLN 75 Ca -0.29 -0.58 -0.12 0.00 0.09 0.00 0.00 58.65 57.74 1iti h GLN 75 Cb 2.01 0.08 -0.02 0.00 0.08 0.00 0.00 27.48 29.64 1iti h GLN 75 CO 0.08 1.21 -0.58 0.37 0.09 0.00 0.00 178.83 180.00 1iti h GLN 76 N 0.65 0.00 0.51 0.06 5.75 -1.94 -2.48 115.11 117.65 1iti h GLN 76 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1iti h GLN 76 Cb 1.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.77 1iti h GLN 76 CO 0.13 0.58 -0.24 0.35 -2.65 0.00 0.00 178.83 177.00 1iti h PHE 77 N 0.00 -0.63 0.22 3.99 3.04 -1.43 -1.01 116.94 121.12 1iti h PHE 77 Ca -0.01 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1iti h PHE 77 Cb 1.39 0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.11 1iti h PHE 77 CO 0.00 -0.35 -0.11 1.25 -2.02 0.00 0.00 178.31 177.09 1iti h HIS 78 N -0.79 -0.27 -0.88 0.41 2.76 -1.62 -2.61 115.15 112.15 1iti h HIS 78 Ca -0.07 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.35 1iti h HIS 78 Cb 0.57 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 1iti h HIS 78 CO -0.02 0.11 0.81 -0.09 -1.30 0.00 0.00 177.93 177.44 1iti h ARG 79 N -0.75 0.00 0.01 5.26 2.43 -1.50 0.13 114.38 119.96 1iti h ARG 79 Ca -0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1iti h ARG 79 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1iti h ARG 79 CO 0.05 0.00 -0.00 1.25 -1.51 0.00 0.00 179.97 179.76 1iti h HIS 80 N 0.00 -0.01 -0.25 2.20 2.76 -0.92 -3.14 115.15 115.79 1iti h HIS 80 Ca 0.42 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.64 1iti h HIS 80 Cb 2.03 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.94 1iti h HIS 80 CO 0.00 0.80 -0.11 0.87 -1.30 0.00 0.00 177.93 178.19 1iti h LYS 81 N -0.86 -0.07 -0.80 5.26 1.57 -0.42 -0.89 116.57 120.37 1iti h LYS 81 Ca -0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1iti h LYS 81 Cb 0.82 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.03 1iti h LYS 81 CO 0.00 -0.04 0.26 0.37 -0.57 0.00 0.00 179.45 179.47 1iti h GLN 82 N -0.07 0.32 0.25 3.15 4.15 -1.43 -0.77 115.11 120.71 1iti h GLN 82 Ca 0.13 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1iti h GLN 82 Cb 0.27 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1iti h GLN 82 CO -0.30 0.21 -0.36 1.25 -1.93 0.00 0.00 178.83 177.70 1iti h LEU 83 N 0.33 -1.02 -0.94 -2.39 6.46 -1.12 -1.22 115.31 115.41 1iti h LEU 83 Ca 0.47 0.10 0.25 0.00 -0.12 0.00 0.00 57.88 58.58 1iti h LEU 83 Cb 0.83 0.36 -0.13 0.00 -0.73 0.00 0.00 40.66 40.99 1iti h LEU 83 CO -0.51 -0.48 0.45 0.40 -0.62 0.00 0.00 178.44 177.67 1iti h ILE 84 N -0.68 0.42 -0.51 4.05 1.08 -0.79 0.32 117.51 121.40 1iti h ILE 84 Ca -0.00 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1iti h ILE 84 Cb 0.65 -0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.34 1iti h ILE 84 CO -0.13 0.07 0.21 -0.09 -0.69 0.00 0.00 178.15 177.51 1iti h ARG 85 N 0.39 0.39 -0.26 2.37 9.65 -0.58 0.75 114.38 127.10 1iti h ARG 85 Ca 0.61 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.47 1iti h ARG 85 Cb 1.24 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1iti h ARG 85 CO -0.56 0.26 0.15 0.74 2.80 0.00 0.00 179.97 183.36 1iti h PHE 86 N 0.40 0.34 -0.24 2.20 0.04 0.01 -0.43 116.94 119.25 1iti h PHE 86 Ca 0.24 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.03 1iti h PHE 86 Cb 0.23 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 1iti h PHE 86 CO -0.14 0.26 0.12 -0.07 -0.60 0.00 0.00 178.31 177.88 1iti h LEU 87 N 0.32 0.18 -0.99 1.54 3.38 -0.67 0.34 115.31 119.40 1iti h LEU 87 Ca 0.09 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iti h LEU 87 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iti h LEU 87 CO -0.02 0.14 0.00 1.17 0.09 0.00 0.00 178.44 179.82 1iti n LYS 88 N -4.98 0.18 -0.01 1.13 4.81 0.19 -1.10 118.16 118.38 1iti n LYS 88 Ca -0.02 0.51 -0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1iti n LYS 88 Cb 0.06 -1.92 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 1iti n LYS 88 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1iti h ARG 89 N 0.00 0.00 -0.16 1.64 2.43 0.77 -3.25 114.38 115.80 1iti h ARG 89 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1iti h ARG 89 Cb 0.24 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1iti h ARG 89 CO 0.00 0.00 0.12 1.37 -1.51 0.00 0.00 179.97 179.95 1iti h LEU 90 N -0.21 0.02 -1.60 3.80 8.10 -1.35 -0.31 115.31 123.76 1iti h LEU 90 Ca 0.00 -0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 1iti h LEU 90 Cb 0.03 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.22 1iti h LEU 90 CO 0.00 0.01 0.29 -0.78 -4.11 0.00 0.00 178.44 173.86 1iti h ASP 91 N 0.02 0.45 0.98 0.17 1.82 -1.26 -1.38 116.42 117.22 1iti h ASP 91 Ca 0.08 -0.01 -0.20 0.00 -0.39 0.00 0.00 57.03 56.51 1iti h ASP 91 Cb 0.28 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1iti h ASP 91 CO -0.00 0.32 -1.08 0.03 -1.61 0.00 0.00 179.24 176.90 1iti h ARG 92 N 0.53 0.00 0.11 0.28 2.47 -1.10 -3.26 114.38 113.41 1iti h ARG 92 Ca 0.17 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1iti h ARG 92 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1iti h ARG 92 CO -0.04 0.68 -0.05 -0.91 0.56 0.00 0.00 179.97 180.21 1iti h ASN 93 N 0.00 -0.13 0.00 7.04 4.21 -0.77 0.51 115.58 126.43 1iti h ASN 93 Ca -0.08 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.33 1iti h ASN 93 Cb 1.70 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.93 1iti h ASN 93 CO 0.09 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.43 1iti n LEU 94 N -5.10 0.00 0.21 1.61 4.77 -0.90 -1.64 117.00 115.94 1iti n LEU 94 Ca -0.08 0.80 0.05 0.00 -0.03 0.00 0.00 56.01 56.76 1iti n LEU 94 Cb 0.13 -0.30 0.29 0.00 -2.33 0.00 0.00 43.42 41.20 1iti n LEU 94 CO 0.34 -0.30 0.86 -0.25 -1.33 0.00 0.00 177.39 176.70 1iti h TRP 95 N 0.00 0.00 -0.12 -1.77 2.91 -1.65 0.44 115.95 115.75 1iti h TRP 95 Ca 0.00 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.90 1iti h TRP 95 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 1iti h TRP 95 CO 0.11 0.00 -0.38 0.78 -1.03 0.00 0.00 178.44 177.91 1iti h GLY 96 N 0.00 0.52 -0.30 2.65 0.00 0.07 -3.00 103.07 103.01 1iti h GLY 96 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1iti h GLY 96 CO 0.00 0.60 -0.09 1.47 0.00 0.00 0.00 176.54 178.53 1iti n LEU 97 N -4.33 1.41 -0.06 3.11 -0.00 0.14 -4.23 117.00 113.03 1iti n LEU 97 Ca -0.07 -0.44 -0.05 0.00 -0.00 0.00 0.00 56.01 55.45 1iti n LEU 97 Cb 0.53 -0.04 -0.03 0.00 -0.00 0.00 0.00 43.42 43.88 1iti n LEU 97 CO 0.44 0.24 -0.10 0.00 -0.00 0.00 0.00 177.39 177.97 1iti h ALA 98 N 4.15 0.02 -2.59 1.47 0.00 -1.22 -3.48 119.26 117.61 1iti h ALA 98 Ca 0.00 -0.31 -0.34 0.00 0.00 0.00 0.00 54.91 54.25 1iti h ALA 98 Cb 0.52 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1iti h ALA 98 CO 0.00 0.21 -0.45 0.41 0.00 0.00 0.00 179.25 179.43 1iti n GLY 99 N 1.68 -0.34 3.82 0.00 0.00 -1.14 -4.97 105.19 104.24 1iti n GLY 99 Ca -0.06 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.02 4.47 0.00 0.99 1.43 -1.26 -5.05 118.68 114.24 1iti s LEU 100 Ca 0.02 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1iti s LEU 100 Cb -0.01 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1iti s LEU 100 CO 0.03 0.29 0.00 0.59 0.23 0.00 0.00 176.35 177.49 1iti n ASN 101 N 1.95 0.00 -4.76 2.29 3.02 -1.26 -4.91 115.26 111.60 1iti n ASN 101 Ca -0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.02 1iti n ASN 101 Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.00 6.91 -0.44 6.41 0.15 -1.26 -4.95 113.70 119.52 1iti s SER 102 Ca 0.00 2.51 0.04 0.00 0.70 0.00 0.00 55.95 59.20 1iti s SER 102 Cb 0.00 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.94 1iti s SER 102 CO 0.00 -0.46 1.03 0.00 1.20 0.00 0.00 173.24 175.02 1iti s PRO 104 N 0.47 2.61 0.09 0.00 0.05 -1.26 -4.88 135.00 132.08 1iti s PRO 104 Ca 0.29 1.85 -0.12 0.00 0.05 0.00 0.00 61.00 63.07 1iti s PRO 104 Cb 0.24 -1.88 -0.06 0.00 0.05 0.00 0.00 34.50 32.84 1iti s PRO 104 CO -0.18 -1.49 0.45 0.54 0.05 0.00 0.00 177.00 176.37 1iti s VAL 105 N -1.68 5.01 0.00 -0.36 0.11 -1.26 -5.00 120.40 117.21 1iti s VAL 105 Ca 0.77 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.45 1iti s VAL 105 Cb -0.31 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1iti s VAL 105 CO 0.39 0.31 0.00 0.29 -3.33 0.00 0.00 175.10 172.76 1iti n LYS 106 N 0.99 0.00 -2.29 1.54 5.02 -1.26 -5.09 118.16 117.06 1iti n LYS 106 Ca -0.08 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.01 1iti n LYS 106 Cb 0.52 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.63 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iti n GLU 107 N 0.00 -0.01 0.00 1.97 1.02 -1.26 -5.11 120.64 117.25 1iti n GLU 107 Ca 0.00 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 54.80 1iti n GLU 107 Cb 0.00 -0.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 -2.92 0.00 -1.00 0.62 0.00 -1.26 -4.80 120.51 111.15 1iti n ALA 108 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1iti n ALA 108 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -3.83 0.00 8.00 -1.26 -4.76 116.55 114.70 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1iti n ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.00 0.79 0.11 -1.24 1.11 -1.26 -3.93 119.66 115.24 1iti s GLN 110 Ca 0.00 -0.78 -0.18 0.00 0.01 0.00 0.00 55.36 54.41 1iti s GLN 110 Cb 0.00 0.33 0.04 0.00 -1.01 0.00 0.00 33.01 32.37 1iti s GLN 110 CO 0.00 -0.25 0.44 -1.54 0.01 0.00 0.00 175.29 173.96 1iti s SER 111 N -2.48 -0.31 0.08 5.90 1.04 -0.28 -4.50 113.70 113.14 1iti s SER 111 Ca 0.00 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 1iti s SER 111 Cb 0.02 0.49 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 1iti s SER 111 CO -0.08 -0.83 0.46 0.42 0.98 0.00 0.00 173.24 174.19 1iti s THR 112 N -3.47 4.98 0.59 2.02 -4.23 -1.26 0.11 115.64 114.38 1iti s THR 112 Ca 0.01 0.71 0.29 0.00 -1.18 0.00 0.00 61.69 61.51 1iti s THR 112 Cb 0.01 -3.70 0.38 0.00 1.34 0.00 0.00 72.50 70.52 1iti s THR 112 CO -0.10 0.36 1.91 0.25 -0.54 0.00 0.00 174.62 176.50 1iti h LEU 113 N 3.96 0.00 0.00 4.79 5.85 -1.73 0.32 115.31 128.50 1iti h LEU 113 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 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 0.65 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.96 1iti n GLU 114 N -3.72 0.00 -0.34 1.25 2.13 -1.26 -2.17 120.64 116.52 1iti n GLU 114 Ca 0.08 0.18 0.30 0.00 0.66 0.00 0.00 57.16 58.38 1iti n GLU 114 Cb 0.65 -0.78 0.63 0.00 0.27 0.00 0.00 31.44 32.21 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 0.24 -0.41 4.31 2.35 -1.94 0.41 115.58 120.54 1iti h ASN 115 Ca 0.00 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1iti h ASN 115 Cb 0.00 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1iti h ASN 115 CO 0.00 0.02 0.18 0.15 -1.65 0.00 0.00 177.43 176.13 1iti h PHE 116 N 0.19 0.61 0.00 1.19 3.04 -0.47 -1.45 116.94 120.06 1iti h PHE 116 Ca 0.62 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.53 1iti h PHE 116 Cb 1.98 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 40.30 1iti h PHE 116 CO -0.00 0.53 0.00 -0.07 -2.02 0.00 0.00 178.31 176.74 1iti h LEU 117 N 0.52 0.00 0.00 0.59 3.38 0.30 -2.38 115.31 117.72 1iti h LEU 117 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iti h LEU 117 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1iti h LEU 117 CO -0.01 0.00 -0.00 -0.08 0.09 0.00 0.00 178.44 178.43 1iti h GLU 118 N 0.00 -0.00 -1.09 1.13 4.57 -0.49 -1.51 114.58 117.18 1iti h GLU 118 Ca 0.00 0.00 0.30 0.00 -1.18 0.00 0.00 59.36 58.48 1iti h GLU 118 Cb 0.41 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.90 1iti h GLU 118 CO 0.00 -0.00 0.70 0.07 -1.18 0.00 0.00 179.01 178.60 1iti h ARG 119 N -0.03 0.32 0.56 1.92 0.11 -1.42 0.15 114.38 115.99 1iti h ARG 119 Ca -0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1iti h ARG 119 Cb 0.00 -0.07 0.01 0.00 1.11 0.00 0.00 29.97 31.02 1iti h ARG 119 CO 0.00 0.21 -0.27 1.25 0.10 0.00 0.00 179.97 181.26 1iti h LEU 120 N 0.33 -0.64 -0.80 0.08 6.46 -1.53 -1.47 115.31 117.75 1iti h LEU 120 Ca 0.65 0.02 0.17 0.00 -0.12 0.00 0.00 57.88 58.60 1iti h LEU 120 Cb 1.72 0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 41.71 1iti h LEU 120 CO -0.34 -0.26 0.30 0.50 -0.62 0.00 0.00 178.44 178.02 1iti h LYS 121 N -1.16 0.38 0.32 1.25 3.64 -0.14 -0.61 116.57 120.27 1iti h LYS 121 Ca -0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1iti h LYS 121 Cb 0.58 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1iti h LYS 121 CO 0.13 0.25 -0.22 1.15 -2.27 0.00 0.00 179.45 178.49 1iti h THR 122 N 0.40 0.53 -0.51 1.00 2.02 -0.74 -2.24 112.91 113.36 1iti h THR 122 Ca 0.46 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.74 1iti h THR 122 Cb 0.77 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 67.63 1iti h THR 122 CO -0.47 0.00 0.02 0.40 0.37 0.00 0.00 175.52 175.85 1iti h ILE 123 N -0.54 0.62 -0.30 3.11 2.04 -0.08 -1.34 117.51 121.01 1iti h ILE 123 Ca -0.03 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1iti h ILE 123 Cb 0.46 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1iti h ILE 123 CO 0.01 0.03 -0.31 0.24 0.00 0.00 0.00 178.15 178.11 1iti h MET 124 N 0.14 -0.28 -0.09 2.37 2.86 -0.77 0.58 114.93 119.72 1iti h MET 124 Ca 0.26 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.95 1iti h MET 124 Cb 0.39 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1iti h MET 124 CO -0.41 -0.19 0.11 0.00 1.06 0.00 0.00 176.91 177.48 1iti h ARG 125 N -0.29 0.00 0.34 1.72 3.08 -0.71 0.12 114.38 118.63 1iti h ARG 125 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1iti h ARG 125 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1iti h ARG 125 CO -0.47 0.00 -0.16 1.49 -1.07 0.00 0.00 179.97 179.76 1iti h GLU 126 N 0.00 -0.44 0.00 0.04 4.81 0.12 -3.19 114.58 115.92 1iti h GLU 126 Ca 0.05 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1iti h GLU 126 Cb 0.26 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1iti h GLU 126 CO -0.00 -0.29 -0.05 0.87 -0.73 0.00 0.00 179.01 178.81 1iti h LYS 127 N -0.78 0.00 0.00 1.92 1.57 -1.04 -0.70 116.57 117.54 1iti h LYS 127 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1iti h LYS 127 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1iti h LYS 127 CO 0.08 0.05 0.00 0.98 -0.57 0.00 0.00 179.45 179.99 1iti n TYR 128 N -3.91 0.00 -1.56 -1.35 9.36 0.40 -3.79 117.16 116.31 1iti n TYR 128 Ca -0.03 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.91 1iti n TYR 128 Cb 0.14 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 38.80 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 -0.58 6.72 0.00 2.98 2.88 -0.27 -4.57 113.62 120.78 1iti n SER 129 Ca 0.02 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.40 1iti n SER 129 Cb 0.01 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 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 1.13 0.00 0.00 -1.46 0.00 -1.25 -4.67 118.16 111.91 1iti n LYS 130 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1iti n LYS 130 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.54 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iti n SER 132 N -0.34 5.09 0.00 0.00 2.88 -1.26 -5.09 113.62 114.89 1iti n SER 132 Ca 0.00 -3.74 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 1iti n SER 132 Cb 0.04 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1iti n SER 132 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61