#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 2.00 -1.73 -1.84 0.00 -1.26 -4.39 120.51 113.28 1iti n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1iti n ALA 2 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1iti n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iti n GLU 3 N -0.47 2.59 0.00 0.00 -0.58 -1.26 -4.80 120.64 116.11 1iti n GLU 3 Ca 0.00 -2.53 0.00 0.00 -0.42 0.00 0.00 57.16 54.21 1iti n GLU 3 Cb 0.00 -3.26 0.00 0.00 -0.57 0.00 0.00 31.44 27.62 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iti n ALA 4 N 6.94 0.00 -1.00 0.62 0.00 -1.26 -4.84 120.51 120.97 1iti n ALA 4 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1iti n ALA 4 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -0.52 -2.74 0.00 8.25 -1.26 -4.98 115.22 113.96 1iti n HIS 5 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1iti n HIS 5 Cb 0.00 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.17 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 1.41 -1.92 -0.41 5.02 -1.26 -5.10 118.16 115.90 1iti n LYS 6 Ca 0.00 -2.85 -0.41 0.00 -2.02 0.00 0.00 58.31 53.03 1iti n LYS 6 Cb 0.00 -0.99 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.00 7.29 -0.07 0.00 2.15 -1.26 -4.96 116.67 119.82 1iti s ASP 8 Ca 0.55 1.53 0.09 0.00 0.43 0.00 0.00 52.55 55.15 1iti s ASP 8 Cb -0.44 -2.48 -0.24 0.00 -0.30 0.00 0.00 42.92 39.46 1iti s ASP 8 CO 0.53 0.11 0.56 0.00 -0.17 0.00 0.00 175.17 176.20 1iti n ILE 9 N 2.21 1.64 -0.17 4.11 3.06 -1.26 -4.17 119.36 124.78 1iti n ILE 9 Ca -0.04 -0.77 -0.02 0.00 -2.50 0.00 0.00 62.75 59.42 1iti n ILE 9 Cb 0.49 -1.16 0.06 0.00 0.54 0.00 0.00 39.64 39.57 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 0.02 0.54 -0.30 9.51 2.02 -1.99 0.66 112.91 123.36 1iti h THR 10 Ca -0.33 -0.02 0.09 0.00 0.77 0.00 0.00 66.41 66.91 1iti h THR 10 Cb 2.03 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1iti h THR 10 CO 0.08 0.01 0.35 -0.07 0.37 0.00 0.00 175.52 176.26 1iti h LEU 11 N 0.07 0.00 0.00 2.58 3.38 -1.99 0.61 115.31 119.96 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 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iti h LEU 11 CO -0.48 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 177.44 1iti h GLN 12 N 0.00 -0.00 0.00 1.13 4.15 0.12 -2.75 115.11 117.76 1iti h GLN 12 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1iti h GLN 12 Cb 0.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1iti h GLN 12 CO -0.00 -0.00 0.40 1.05 -1.93 0.00 0.00 178.83 178.34 1iti h GLU 13 N -0.02 0.00 0.13 1.69 -0.00 -1.25 -0.89 114.58 114.25 1iti h GLU 13 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 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 -0.06 0.82 -0.00 0.00 0.00 179.01 179.77 1iti h ILE 14 N 0.00 0.78 -0.41 -1.06 2.04 -0.93 -2.52 117.51 115.40 1iti h ILE 14 Ca 0.00 -1.24 0.08 0.00 1.00 0.00 0.00 64.86 64.70 1iti h ILE 14 Cb 0.79 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 1iti h ILE 14 CO 0.00 0.22 -0.06 0.40 0.00 0.00 0.00 178.15 178.71 1iti h ILE 15 N -0.92 0.63 -0.73 -0.67 2.04 -0.85 -0.57 117.51 116.43 1iti h ILE 15 Ca -0.02 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1iti h ILE 15 Cb 0.50 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 1iti h ILE 15 CO 0.03 0.01 0.40 0.11 0.00 0.00 0.00 178.15 178.70 1iti h LYS 16 N 0.04 0.70 -0.68 2.37 1.57 -1.57 -1.34 116.57 117.66 1iti h LYS 16 Ca 0.20 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 1iti h LYS 16 Cb 0.30 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 1iti h LYS 16 CO -0.39 0.46 0.26 1.15 -0.57 0.00 0.00 179.45 180.36 1iti h THR 17 N 0.72 0.72 -0.49 -0.16 2.02 -0.65 -0.64 112.91 114.42 1iti h THR 17 Ca 0.34 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.40 1iti h THR 17 Cb 0.26 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1iti h THR 17 CO -0.21 0.08 0.28 -0.07 0.37 0.00 0.00 175.52 175.97 1iti h LEU 18 N 0.43 0.45 -0.97 2.58 3.38 -0.77 -1.60 115.31 118.81 1iti h LEU 18 Ca 0.36 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.49 1iti h LEU 18 Cb 0.49 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1iti h LEU 18 CO -0.35 0.32 0.58 0.78 0.09 0.00 0.00 178.44 179.86 1iti h ASN 19 N 0.57 0.79 -0.66 -0.43 4.21 -0.78 0.11 115.58 119.38 1iti h ASN 19 Ca 0.20 0.08 -0.06 0.00 1.21 0.00 0.00 56.30 57.73 1iti h ASN 19 Cb 0.03 -0.07 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 1iti h ASN 19 CO -0.10 0.34 0.19 0.28 -1.29 0.00 0.00 177.43 176.85 1iti h SER 20 N 0.82 0.99 -0.37 5.81 0.02 -0.82 -2.59 113.55 117.41 1iti h SER 20 Ca 0.53 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1iti h SER 20 Cb 0.71 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1iti h SER 20 CO -0.34 0.94 0.13 -0.07 -1.14 0.00 0.00 176.83 176.36 1iti h LEU 21 N 1.01 0.53 -0.97 5.07 3.38 -0.38 -2.63 115.31 121.32 1iti h LEU 21 Ca 0.22 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1iti h LEU 21 Cb 0.33 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 1iti h LEU 21 CO -0.00 0.57 0.62 0.71 0.09 0.00 0.00 178.44 180.42 1iti h THR 22 N 0.45 1.01 -0.57 0.22 1.35 -1.00 0.87 112.91 115.24 1iti h THR 22 Ca 0.12 -0.36 0.16 0.00 -0.55 0.00 0.00 66.41 65.78 1iti h THR 22 Cb 0.22 -0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.47 1iti h THR 22 CO -0.01 0.19 0.40 -0.33 -0.25 0.00 0.00 175.52 175.53 1iti h GLU 23 N 1.06 0.04 -6.38 4.72 5.08 -1.08 -3.40 114.58 114.61 1iti h GLU 23 Ca 0.45 -0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.28 1iti h GLU 23 Cb 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1iti h GLU 23 CO -0.21 0.02 -0.21 -0.65 -1.00 0.00 0.00 179.01 176.96 1iti s GLN 24 N -5.05 3.61 -0.45 2.33 -1.52 0.30 -5.06 119.66 113.82 1iti s GLN 24 Ca -0.05 -0.08 0.05 0.00 -1.95 0.00 0.00 55.36 53.33 1iti s GLN 24 Cb 0.20 -2.72 0.18 0.00 -0.22 0.00 0.00 33.01 30.45 1iti s GLN 24 CO 0.74 0.30 0.54 0.15 -0.25 0.00 0.00 175.29 176.76 1iti s LYS 25 N -3.33 0.94 0.60 2.91 1.02 -1.26 -4.95 119.74 115.66 1iti s LYS 25 Ca 0.42 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 55.07 1iti s LYS 25 Cb -0.11 -0.61 0.06 0.00 -0.52 0.00 0.00 37.83 36.65 1iti s LYS 25 CO 0.28 -1.32 0.84 0.95 -0.92 0.00 0.00 175.35 175.18 1iti s THR 26 N 0.73 2.49 -1.24 2.17 -4.23 -1.26 -4.94 115.64 109.37 1iti s THR 26 Ca 0.28 -0.64 0.13 0.00 -1.18 0.00 0.00 61.69 60.28 1iti s THR 26 Cb -0.01 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.15 1iti s THR 26 CO -0.10 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 175.37 1iti n LEU 27 N -2.49 0.00 0.00 4.79 -0.00 -1.26 -2.66 117.00 115.38 1iti n LEU 27 Ca 0.10 0.38 0.02 0.00 -0.00 0.00 0.00 56.01 56.52 1iti n LEU 27 Cb 0.60 -0.38 0.15 0.00 -0.00 0.00 0.00 43.42 43.78 1iti n LEU 27 CO 0.44 -0.21 0.33 0.00 -0.00 0.00 0.00 177.39 177.96 1iti h THR 29 N 0.00 0.87 0.00 0.00 1.35 -1.91 -3.27 112.91 109.95 1iti h THR 29 Ca 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1iti h THR 29 Cb 0.00 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1iti h THR 29 CO 0.00 0.87 0.17 -0.62 -0.25 0.00 0.00 175.52 175.69 1iti n GLU 30 N -3.58 0.05 -2.13 4.72 -0.58 -0.92 -3.80 120.64 114.41 1iti n GLU 30 Ca -0.26 0.47 -0.42 0.00 -0.42 0.00 0.00 57.16 56.52 1iti n GLU 30 Cb 1.07 -1.84 -0.03 0.00 -0.57 0.00 0.00 31.44 30.07 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 -3.44 4.30 -0.31 -4.62 1.43 -1.24 -4.95 118.68 109.86 1iti s LEU 31 Ca -0.01 2.14 -0.29 0.00 -1.03 0.00 0.00 54.13 54.94 1iti s LEU 31 Cb 0.02 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.71 1iti s LEU 31 CO 0.07 -0.84 1.08 0.42 0.23 0.00 0.00 176.35 177.31 1iti s THR 32 N 3.36 4.52 0.76 5.49 -4.23 -1.26 -3.27 115.64 121.01 1iti s THR 32 Ca 0.68 1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 62.92 1iti s THR 32 Cb -0.31 -4.41 0.15 0.00 1.34 0.00 0.00 72.50 69.26 1iti s THR 32 CO 0.26 -0.46 1.05 0.68 -0.54 0.00 0.00 174.62 175.61 1iti s VAL 33 N 3.63 2.07 -0.00 2.29 -7.23 0.18 -4.82 120.40 116.51 1iti s VAL 33 Ca 0.45 -0.54 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 1iti s VAL 33 Cb -0.12 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1iti s VAL 33 CO 0.15 0.00 0.45 -0.89 -0.31 0.00 0.00 175.10 174.50 1iti s THR 34 N -3.25 4.99 0.68 5.32 2.01 -1.26 -1.55 115.64 122.58 1iti s THR 34 Ca 0.68 0.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.52 1iti s THR 34 Cb -0.04 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1iti s THR 34 CO 0.46 0.54 1.03 -0.62 -0.69 0.00 0.00 174.62 175.34 1iti s ASP 35 N -0.83 5.37 0.00 3.53 -1.08 -1.26 -4.79 116.67 117.61 1iti s ASP 35 Ca 0.25 0.92 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1iti s ASP 35 Cb -0.17 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.55 1iti s ASP 35 CO 0.14 -1.32 0.00 2.30 0.52 0.00 0.00 175.17 176.81 1iti n ILE 36 N -2.89 0.00 1.38 4.11 -5.35 -1.26 -4.59 119.36 110.76 1iti n ILE 36 Ca 0.06 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.66 1iti n ILE 36 Cb 0.58 0.00 0.67 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.03 0.00 -0.05 4.28 3.72 -1.26 -2.99 117.46 120.14 1iti n PHE 37 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 1iti n PHE 37 Cb 0.00 -0.08 0.17 0.00 -0.94 0.00 0.00 39.48 38.63 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 3.56 -2.13 4.37 0.00 -1.26 -3.95 120.51 120.02 1iti n ALA 38 Ca 0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 53.44 52.37 1iti n ALA 38 Cb 0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 0.07 2.46 -2.69 0.00 0.00 -1.16 -4.92 120.51 114.28 1iti n ALA 39 Ca 0.21 -0.63 -0.39 0.00 0.00 0.00 0.00 53.44 52.63 1iti n ALA 39 Cb 0.88 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 1iti n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1iti s SER 40 N -0.83 6.70 0.00 0.00 0.01 -1.25 -4.89 113.70 113.44 1iti s SER 40 Ca 0.02 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.13 1iti s SER 40 Cb 0.11 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1iti s SER 40 CO -0.03 -0.13 0.00 0.29 0.41 0.00 0.00 173.24 173.78 1iti n LYS 41 N 4.28 0.00 0.15 12.44 5.02 -1.26 -4.94 118.16 133.85 1iti n LYS 41 Ca -0.04 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.37 1iti n LYS 41 Cb 0.51 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.66 1iti n LYS 41 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1iti h ASP 42 N 0.00 0.00 -2.84 4.39 2.03 -2.07 -3.45 116.42 114.48 1iti h ASP 42 Ca 0.00 -0.03 -0.54 0.00 -0.73 0.00 0.00 57.03 55.73 1iti h ASP 42 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 1iti h ASP 42 CO 0.00 0.01 0.88 0.42 -1.03 0.00 0.00 179.24 179.52 1iti s THR 43 N -3.24 3.39 0.00 1.15 -4.23 -1.26 -5.00 115.64 106.45 1iti s THR 43 Ca 0.05 0.84 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1iti s THR 43 Cb 0.08 -3.54 0.00 0.00 1.34 0.00 0.00 72.50 70.38 1iti s THR 43 CO 0.71 0.01 0.00 0.35 -0.54 0.00 0.00 174.62 175.15 1iti n THR 44 N 4.58 0.00 0.10 3.99 -2.24 -1.26 -4.86 114.28 114.58 1iti n THR 44 Ca 0.14 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 1iti n THR 44 Cb 0.42 -0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 67.80 1iti n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 45 N 0.00 0.00 0.73 -0.78 4.39 -1.99 -3.26 114.58 113.68 1iti h GLU 45 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1iti h GLU 45 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1iti h GLU 45 CO 0.00 0.62 -0.40 0.87 -1.16 0.00 0.00 179.01 178.93 1iti h LYS 46 N 0.00 -1.01 0.00 2.33 1.79 -2.00 -0.65 116.57 117.02 1iti h LYS 46 Ca -0.04 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1iti h LYS 46 Cb 1.55 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.43 1iti h LYS 46 CO 0.08 -0.67 0.13 0.93 -1.08 0.00 0.00 179.45 178.83 1iti h GLU 47 N -1.05 0.00 0.10 3.15 4.39 -1.92 -2.04 114.58 117.21 1iti h GLU 47 Ca -0.10 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1iti h GLU 47 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1iti h GLU 47 CO 0.13 0.00 -0.05 1.15 -1.16 0.00 0.00 179.01 179.08 1iti h THR 48 N 0.00 0.95 -0.12 1.13 2.02 -1.28 -2.76 112.91 112.85 1iti h THR 48 Ca 0.00 -1.38 0.04 0.00 0.77 0.00 0.00 66.41 65.84 1iti h THR 48 Cb 0.26 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1iti h THR 48 CO 0.00 0.28 0.11 -0.26 0.37 0.00 0.00 175.52 176.02 1iti h PHE 49 N -0.90 0.00 0.52 3.16 0.04 -0.47 -2.45 116.94 116.85 1iti h PHE 49 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1iti h PHE 49 Cb 0.55 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.71 1iti h PHE 49 CO 0.12 0.00 -0.25 0.00 -0.60 0.00 0.00 178.31 177.58 1iti h ARG 51 N -1.13 0.48 0.03 0.00 3.08 -1.19 0.15 114.38 115.80 1iti h ARG 51 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1iti h ARG 51 Cb 0.53 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1iti h ARG 51 CO 0.12 0.32 -0.02 0.00 -1.07 0.00 0.00 179.97 179.32 1iti h ALA 52 N 1.76 -0.04 -0.64 0.04 0.00 -1.41 -2.61 119.26 116.36 1iti h ALA 52 Ca 0.66 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.56 1iti h ALA 52 Cb 1.33 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1iti h ALA 52 CO -0.52 -0.48 0.38 0.00 0.00 0.00 0.00 179.25 178.63 1iti h ALA 53 N 0.83 0.85 -0.65 0.00 0.00 -0.08 -1.83 119.26 118.38 1iti h ALA 53 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1iti h ALA 53 Cb 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 1iti h ALA 53 CO 0.01 0.09 0.11 1.15 0.00 0.00 0.00 179.25 180.61 1iti h THR 54 N 0.72 0.56 0.58 0.00 2.02 -0.78 0.14 112.91 116.15 1iti h THR 54 Ca 0.27 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1iti h THR 54 Cb 0.10 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1iti h THR 54 CO -0.14 0.04 -0.31 0.58 0.37 0.00 0.00 175.52 176.06 1iti h VAL 55 N 0.23 0.00 -1.22 3.16 2.07 -0.98 -1.78 116.25 117.74 1iti h VAL 55 Ca 0.35 0.00 0.35 0.00 0.82 0.00 0.00 66.70 68.22 1iti h VAL 55 Cb 0.56 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1iti h VAL 55 CO -0.47 0.00 0.86 -0.07 0.02 0.00 0.00 177.57 177.91 1iti h LEU 56 N -0.82 0.09 0.53 2.57 3.38 -1.07 -0.23 115.31 119.76 1iti h LEU 56 Ca -0.08 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1iti h LEU 56 Cb 0.64 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1iti h LEU 56 CO 0.11 0.01 -0.26 -0.09 0.09 0.00 0.00 178.44 178.30 1iti h ARG 57 N 0.07 -0.69 0.00 1.13 2.43 0.10 -1.90 114.38 115.53 1iti h ARG 57 Ca 0.60 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 1iti h ARG 57 Cb 2.24 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.95 1iti h ARG 57 CO -0.08 -0.46 0.00 0.00 -1.51 0.00 0.00 179.97 177.92 1iti n GLN 58 N -4.14 0.16 0.00 0.20 10.64 -0.46 -1.55 117.38 122.24 1iti n GLN 58 Ca -0.09 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1iti n GLN 58 Cb 0.28 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.16 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 -1.12 0.00 1.05 2.61 7.35 -0.22 -2.96 117.46 124.17 1iti n PHE 59 Ca 0.04 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.83 1iti n PHE 59 Cb 0.03 -0.31 0.54 0.00 0.35 0.00 0.00 39.48 40.09 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 -1.89 0.00 -0.03 -5.13 0.18 -0.88 -1.66 117.16 107.75 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 -0.21 -0.13 0.00 -0.38 0.00 0.00 39.34 38.62 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 -1.21 2.08 -0.07 9.48 7.64 -0.59 -3.77 113.62 127.18 1iti n SER 61 Ca 0.11 0.16 -0.06 0.00 1.01 0.00 0.00 58.87 60.09 1iti n SER 61 Cb 0.14 -0.79 -0.02 0.00 -1.01 0.00 0.00 64.21 62.53 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 -3.51 0.94 -0.16 1.43 8.25 -1.16 -4.01 115.22 116.99 1iti n HIS 62 Ca -0.35 0.41 -0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1iti n HIS 62 Cb 1.01 -0.80 0.04 0.00 1.12 0.00 0.00 29.99 31.36 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 -0.30 -1.20 4.41 3.86 -1.49 0.42 115.15 119.85 1iti h HIS 63 Ca -0.03 0.05 0.34 0.00 -1.16 0.00 0.00 60.37 59.57 1iti h HIS 63 Cb 0.57 0.21 -0.07 0.00 1.06 0.00 0.00 27.41 29.18 1iti h HIS 63 CO -0.20 -0.23 0.83 1.49 0.86 0.00 0.00 177.93 180.68 1iti h GLU 64 N -0.01 0.14 0.00 2.45 4.81 -1.67 1.29 114.58 121.58 1iti h GLU 64 Ca 0.25 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1iti h GLU 64 Cb 0.39 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1iti h GLU 64 CO -0.54 0.09 -0.70 0.87 -0.73 0.00 0.00 179.01 178.01 1iti h LYS 65 N 0.14 0.00 -6.77 1.92 1.57 -0.33 -3.45 116.57 109.65 1iti h LYS 65 Ca 0.63 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.92 1iti h LYS 65 Cb 2.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.43 1iti h LYS 65 CO -0.15 0.43 0.19 0.34 -0.57 0.00 0.00 179.45 179.69 1iti s ASP 66 N -6.28 6.99 -0.51 0.86 -1.08 0.44 -4.96 116.67 112.14 1iti s ASP 66 Ca 0.02 1.49 -0.03 0.00 -0.52 0.00 0.00 52.55 53.52 1iti s ASP 66 Cb 0.08 -2.45 0.15 0.00 -1.46 0.00 0.00 42.92 39.23 1iti s ASP 66 CO 0.76 -0.14 2.51 0.35 0.52 0.00 0.00 175.17 179.18 1iti n THR 67 N 0.08 3.30 -0.10 1.71 -2.24 -1.26 -4.45 114.28 111.32 1iti n THR 67 Ca 0.02 -2.99 -0.16 0.00 -2.27 0.00 0.00 64.05 58.65 1iti n THR 67 Cb 0.52 -1.48 -0.07 0.00 -2.10 0.00 0.00 70.33 67.21 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 0.49 0.53 -0.41 -0.78 5.12 -1.26 -4.33 116.66 116.01 1iti n ARG 68 Ca 0.48 0.40 0.05 0.00 -1.93 0.00 0.00 57.85 56.85 1iti n ARG 68 Cb 0.51 -1.60 0.22 0.00 -1.16 0.00 0.00 32.46 30.43 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 0.48 1.58 0.00 0.00 4.77 -1.26 -4.75 117.00 117.83 1iti n LEU 70 Ca 0.15 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1iti n LEU 70 Cb 0.65 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1iti n LEU 70 CO 0.16 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1iti n GLY 71 N 1.82 1.66 0.00 -0.72 0.00 -1.25 -3.96 105.19 102.73 1iti n GLY 71 Ca -0.28 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 10.28 0.00 -0.23 4.61 0.00 -1.26 -5.01 120.51 128.90 1iti n ALA 72 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1iti n ALA 72 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1iti n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iti n THR 73 N -0.74 0.00 -0.02 0.00 -1.04 -1.26 -4.90 114.28 106.32 1iti n THR 73 Ca 0.00 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1iti n THR 73 Cb 0.00 -0.99 -0.14 0.00 -1.82 0.00 0.00 70.33 67.38 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iti h ALA 74 N -3.67 0.74 -0.08 2.41 0.00 -2.00 -3.27 119.26 113.39 1iti h ALA 74 Ca -0.40 -1.44 -0.16 0.00 0.00 0.00 0.00 54.91 52.91 1iti h ALA 74 Cb 1.34 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1iti h ALA 74 CO 0.24 1.56 -0.65 -0.56 0.00 0.00 0.00 179.25 179.84 1iti h GLN 75 N 0.00 0.31 0.00 0.00 3.07 -1.98 -2.96 115.11 113.55 1iti h GLN 75 Ca -0.28 -0.23 -0.11 0.00 0.09 0.00 0.00 58.65 58.13 1iti h GLN 75 Cb 2.00 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 29.59 1iti h GLN 75 CO 0.08 0.85 -0.52 0.37 0.09 0.00 0.00 178.83 179.70 1iti h GLN 76 N 0.22 0.00 0.18 0.06 -0.00 -1.86 -1.25 115.11 112.47 1iti h GLN 76 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1iti h GLN 76 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.66 1iti h GLN 76 CO 0.11 0.52 -0.09 0.35 0.00 0.00 0.00 178.83 179.72 1iti h PHE 77 N 0.00 -0.23 0.10 3.99 3.57 -1.57 -1.32 116.94 121.48 1iti h PHE 77 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1iti h PHE 77 Cb 0.98 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1iti h PHE 77 CO 0.00 0.12 -0.05 1.25 -2.23 0.00 0.00 178.31 177.41 1iti h HIS 78 N -0.61 -0.13 -0.96 0.41 2.76 -1.53 -2.24 115.15 112.84 1iti h HIS 78 Ca -0.02 -0.00 0.20 0.00 -2.20 0.00 0.00 60.37 58.34 1iti h HIS 78 Cb 0.45 0.04 -0.11 0.00 1.55 0.00 0.00 27.41 29.34 1iti h HIS 78 CO 0.04 0.19 0.55 -0.09 -1.30 0.00 0.00 177.93 177.31 1iti h ARG 79 N -0.44 0.63 -0.35 5.26 2.43 -1.29 0.78 114.38 121.40 1iti h ARG 79 Ca -0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1iti h ARG 79 Cb 0.37 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1iti h ARG 79 CO 0.02 0.41 0.11 1.25 -1.51 0.00 0.00 179.97 180.25 1iti h HIS 80 N 0.64 0.57 -0.81 2.20 2.76 -1.03 -2.72 115.15 116.77 1iti h HIS 80 Ca 0.58 -0.06 0.10 0.00 -2.20 0.00 0.00 60.37 58.79 1iti h HIS 80 Cb 0.97 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.69 1iti h HIS 80 CO -0.04 0.56 0.46 0.87 -1.30 0.00 0.00 177.93 178.48 1iti h LYS 81 N 0.42 0.73 -0.82 5.26 1.57 -0.26 -0.57 116.57 122.90 1iti h LYS 81 Ca 0.11 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1iti h LYS 81 Cb 0.26 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 1iti h LYS 81 CO -0.00 0.48 0.40 0.37 -0.57 0.00 0.00 179.45 180.13 1iti h GLN 82 N 0.75 0.55 0.80 3.15 5.75 -1.02 -1.17 115.11 123.93 1iti h GLN 82 Ca 0.40 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.83 1iti h GLN 82 Cb 0.39 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.83 1iti h GLN 82 CO -0.26 0.37 -0.38 1.25 -2.65 0.00 0.00 178.83 177.15 1iti h LEU 83 N 0.57 -0.91 -1.50 -2.39 6.46 -1.05 -1.57 115.31 114.92 1iti h LEU 83 Ca 0.45 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 58.25 1iti h LEU 83 Cb 0.65 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1iti h LEU 83 CO -0.37 -0.59 0.54 0.40 -0.62 0.00 0.00 178.44 177.80 1iti h ILE 84 N -1.18 0.04 0.06 4.05 1.08 -1.03 0.25 117.51 120.78 1iti h ILE 84 Ca -0.11 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.22 1iti h ILE 84 Cb 0.84 0.48 0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1iti h ILE 84 CO 0.18 0.00 -0.57 -0.09 -0.69 0.00 0.00 178.15 176.98 1iti h ARG 85 N 0.00 0.28 -0.15 2.37 2.43 -0.26 -2.61 114.38 116.43 1iti h ARG 85 Ca 0.05 -0.38 0.03 0.00 -0.81 0.00 0.00 59.98 58.86 1iti h ARG 85 Cb 1.12 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1iti h ARG 85 CO -0.00 1.12 -0.04 0.74 -1.51 0.00 0.00 179.97 180.28 1iti h PHE 86 N -0.38 -0.09 -0.28 2.20 0.04 0.05 -1.87 116.94 116.60 1iti h PHE 86 Ca -0.09 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1iti h PHE 86 Cb 1.38 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.58 1iti h PHE 86 CO 0.19 -0.07 0.17 -0.07 -0.60 0.00 0.00 178.31 177.93 1iti h LEU 87 N -0.01 0.30 -2.01 1.54 3.38 -1.59 -0.88 115.31 116.04 1iti h LEU 87 Ca 0.07 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1iti h LEU 87 Cb 0.12 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1iti h LEU 87 CO -0.16 0.22 0.42 0.11 0.09 0.00 0.00 178.44 179.11 1iti h LYS 88 N 0.36 0.00 0.00 1.13 1.79 -1.03 0.37 116.57 119.19 1iti h LYS 88 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1iti h LYS 88 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1iti h LYS 88 CO -0.03 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.21 1iti n ARG 89 N -3.95 0.00 0.00 3.15 0.63 -0.38 -3.59 116.66 112.52 1iti n ARG 89 Ca 0.08 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 1iti n ARG 89 Cb 0.61 -0.90 0.00 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 -1.65 0.00 -0.00 6.15 -0.00 -0.90 -1.42 117.00 119.18 1iti n LEU 90 Ca 0.00 0.24 -0.17 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 90 Cb 0.00 -0.24 -0.11 0.00 -0.00 0.00 0.00 43.42 43.07 1iti n LEU 90 CO 0.00 -0.24 0.27 -0.78 -0.00 0.00 0.00 177.39 176.64 1iti h ASP 91 N 0.00 0.49 1.05 1.45 3.58 -0.32 -2.70 116.42 119.97 1iti h ASP 91 Ca 0.00 -0.76 -0.19 0.00 0.42 0.00 0.00 57.03 56.50 1iti h ASP 91 Cb 0.07 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1iti h ASP 91 CO 0.00 1.19 -0.99 0.03 -2.88 0.00 0.00 179.24 176.59 1iti h ARG 92 N -0.16 0.00 0.43 0.28 2.47 -1.30 -3.11 114.38 113.00 1iti h ARG 92 Ca -0.07 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1iti h ARG 92 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1iti h ARG 92 CO 0.11 0.73 -0.21 -0.91 0.56 0.00 0.00 179.97 180.25 1iti h ASN 93 N 0.00 -0.49 -0.04 7.04 -0.26 -1.56 0.62 115.58 120.89 1iti h ASN 93 Ca -0.06 -0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1iti h ASN 93 Cb 1.68 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 39.03 1iti h ASN 93 CO 0.10 -0.14 -0.14 -0.07 -1.06 0.00 0.00 177.43 176.11 1iti h LEU 94 N -0.88 -0.41 0.00 1.61 3.38 -1.61 0.12 115.31 117.51 1iti h LEU 94 Ca -0.06 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1iti h LEU 94 Cb 0.56 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iti h LEU 94 CO 0.10 -0.19 0.00 1.87 0.09 0.00 0.00 178.44 180.31 1iti n TRP 95 N -5.28 0.00 0.02 1.13 -0.00 -1.17 -3.46 117.44 108.68 1iti n TRP 95 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.44 1iti n TRP 95 Cb 0.19 -0.38 -0.01 0.00 -0.00 0.00 0.00 31.31 31.12 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 3.21 -0.10 1.11 5.87 0.00 0.30 -3.21 103.07 110.25 1iti h GLY 96 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1iti h GLY 96 CO 0.00 -0.04 0.00 1.47 0.00 0.00 0.00 176.54 177.97 1iti n LEU 97 N -3.52 0.00 0.00 3.11 -0.00 -0.94 -3.08 117.00 112.57 1iti n LEU 97 Ca -0.01 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1iti n LEU 97 Cb 0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 1iti n LEU 97 CO 0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 177.39 177.35 1iti n ALA 98 N -1.06 0.00 -0.96 1.47 0.00 -1.21 -4.97 120.51 113.78 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 0.50 3.80 0.00 0.00 -1.18 -5.04 105.19 105.42 1iti n GLY 99 Ca 0.00 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 4.43 -0.06 0.99 1.43 -1.26 -5.01 118.68 119.20 1iti s LEU 100 Ca 0.00 0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 54.04 1iti s LEU 100 Cb 0.00 -2.68 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 1iti s LEU 100 CO 0.00 0.23 -0.09 -3.20 0.23 0.00 0.00 176.35 173.52 1iti n ASN 101 N 2.30 0.73 -4.70 2.29 4.05 -1.26 -4.89 115.26 113.79 1iti n ASN 101 Ca -0.11 0.33 -0.39 0.00 0.45 0.00 0.00 54.58 54.86 1iti n ASN 101 Cb 0.52 -0.63 -0.06 0.00 1.23 0.00 0.00 39.78 40.84 1iti n ASN 101 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1iti s SER 102 N -4.48 6.74 -0.47 1.20 0.15 -1.26 -4.97 113.70 110.61 1iti s SER 102 Ca -0.07 0.89 0.06 0.00 0.70 0.00 0.00 55.95 57.53 1iti s SER 102 Cb 0.01 -2.33 0.26 0.00 -1.71 0.00 0.00 66.02 62.25 1iti s SER 102 CO 0.11 -0.11 0.90 0.00 1.20 0.00 0.00 173.24 175.33 1iti s PRO 104 N 0.40 3.07 -0.04 0.00 0.05 -1.26 -4.92 135.00 132.30 1iti s PRO 104 Ca 0.31 2.01 -0.16 0.00 0.05 0.00 0.00 61.00 63.20 1iti s PRO 104 Cb 0.24 -2.10 -0.05 0.00 0.05 0.00 0.00 34.50 32.64 1iti s PRO 104 CO -0.20 -1.17 0.43 0.54 0.05 0.00 0.00 177.00 176.65 1iti s VAL 105 N -1.45 5.07 0.00 -0.36 0.11 -1.26 -5.04 120.40 117.48 1iti s VAL 105 Ca 0.74 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.67 1iti s VAL 105 Cb -0.35 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1iti s VAL 105 CO 0.40 0.50 0.00 1.17 -3.33 0.00 0.00 175.10 173.84 1iti n LYS 106 N 2.40 0.03 -2.10 1.54 4.81 -1.26 -5.09 118.16 118.49 1iti n LYS 106 Ca -0.12 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.16 1iti n LYS 106 Cb 0.52 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.65 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 0.16 0.00 1.64 1.02 -1.26 -5.12 120.64 117.09 1iti n GLU 107 Ca 0.00 -2.03 0.00 0.00 -0.02 0.00 0.00 57.16 55.11 1iti n GLU 107 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 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 -2.88 0.00 -1.00 0.62 0.00 -1.26 -4.99 120.51 111.00 1iti n ALA 108 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1iti n ALA 108 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -3.59 0.00 9.92 -1.26 -4.78 116.55 116.84 1iti n ASP 109 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1iti n ASP 109 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1iti s GLN 110 N 0.00 1.24 0.20 -1.24 0.74 -1.26 -4.01 119.66 115.32 1iti s GLN 110 Ca 0.00 -0.67 -0.23 0.00 0.05 0.00 0.00 55.36 54.51 1iti s GLN 110 Cb 0.00 0.53 0.05 0.00 1.10 0.00 0.00 33.01 34.69 1iti s GLN 110 CO 0.00 -0.52 0.74 -1.54 -0.55 0.00 0.00 175.29 173.42 1iti s SER 111 N -2.80 -0.35 0.02 6.67 1.04 -0.59 -4.65 113.70 113.03 1iti s SER 111 Ca 0.04 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 1iti s SER 111 Cb -0.00 0.62 -0.06 0.00 0.10 0.00 0.00 66.02 66.68 1iti s SER 111 CO -0.10 -1.09 0.44 0.42 0.98 0.00 0.00 173.24 173.89 1iti s THR 112 N -3.69 4.98 0.58 2.02 -4.23 -1.26 0.51 115.64 114.55 1iti s THR 112 Ca 0.08 0.88 0.32 0.00 -1.18 0.00 0.00 61.69 61.79 1iti s THR 112 Cb -0.03 -3.74 0.47 0.00 1.34 0.00 0.00 72.50 70.53 1iti s THR 112 CO -0.01 0.55 1.71 0.25 -0.54 0.00 0.00 174.62 176.58 1iti h LEU 113 N 4.60 0.00 0.41 4.79 5.85 -1.65 0.96 115.31 130.28 1iti h LEU 113 Ca -0.51 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1iti h LEU 113 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1iti h LEU 113 CO 0.62 0.00 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.44 1iti h GLU 114 N 0.00 -0.53 -0.70 1.25 4.57 -1.90 -1.41 114.58 115.86 1iti h GLU 114 Ca 0.44 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.68 1iti h GLU 114 Cb 2.10 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 30.77 1iti h GLU 114 CO -0.00 -0.35 0.44 -0.91 -1.18 0.00 0.00 179.01 177.00 1iti h ASN 115 N -0.76 0.73 0.18 1.04 -0.26 -1.61 -1.24 115.58 113.66 1iti h ASN 115 Ca -0.06 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1iti h ASN 115 Cb 0.42 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1iti h ASN 115 CO 0.09 0.51 -0.31 0.15 -1.06 0.00 0.00 177.43 176.81 1iti h PHE 116 N 0.87 -0.88 0.00 1.19 3.57 -0.91 0.24 116.94 121.02 1iti h PHE 116 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1iti h PHE 116 Cb 0.00 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1iti h PHE 116 CO -0.04 -0.38 0.15 -0.07 -2.23 0.00 0.00 178.31 175.74 1iti h LEU 117 N -0.52 0.00 0.08 0.59 3.38 -1.11 0.38 115.31 118.10 1iti h LEU 117 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iti h LEU 117 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1iti h LEU 117 CO -0.11 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.30 1iti h GLU 118 N 0.00 -0.10 0.00 1.13 4.81 0.60 -2.73 114.58 118.28 1iti h GLU 118 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1iti h GLU 118 Cb 0.30 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1iti h GLU 118 CO 0.00 -0.07 -0.05 0.07 -0.73 0.00 0.00 179.01 178.24 1iti h ARG 119 N -0.61 0.00 0.69 1.92 0.11 -0.53 -2.64 114.38 113.31 1iti h ARG 119 Ca -0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1iti h ARG 119 Cb 0.08 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.17 1iti h ARG 119 CO 0.02 0.05 -0.33 1.25 0.10 0.00 0.00 179.97 181.05 1iti h LEU 120 N 0.00 -0.79 -0.70 0.08 6.46 -1.02 0.14 115.31 119.48 1iti h LEU 120 Ca -0.00 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 57.92 1iti h LEU 120 Cb 0.10 0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 40.13 1iti h LEU 120 CO 0.01 -0.42 0.15 0.50 -0.62 0.00 0.00 178.44 178.06 1iti h LYS 121 N -1.21 0.25 0.15 1.25 3.64 -1.25 -0.79 116.57 118.61 1iti h LYS 121 Ca -0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1iti h LYS 121 Cb 0.73 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1iti h LYS 121 CO 0.16 0.17 -0.07 1.15 -2.27 0.00 0.00 179.45 178.58 1iti h THR 122 N 0.26 0.90 -0.88 1.00 2.02 -1.40 -2.52 112.91 112.28 1iti h THR 122 Ca 0.39 -0.23 0.22 0.00 0.77 0.00 0.00 66.41 67.56 1iti h THR 122 Cb 0.64 1.04 -0.13 0.00 -1.74 0.00 0.00 68.15 67.97 1iti h THR 122 CO -0.49 0.05 0.36 0.40 0.37 0.00 0.00 175.52 176.21 1iti h ILE 123 N -0.31 0.46 0.68 3.11 2.04 0.63 -0.88 117.51 123.23 1iti h ILE 123 Ca -0.02 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1iti h ILE 123 Cb 0.25 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1iti h ILE 123 CO 0.03 0.07 -0.48 0.24 0.00 0.00 0.00 178.15 178.01 1iti h MET 124 N 0.36 -1.07 -1.15 2.37 2.86 -0.81 0.10 114.93 117.60 1iti h MET 124 Ca 0.55 0.07 0.33 0.00 -2.06 0.00 0.00 59.70 58.60 1iti h MET 124 Cb 1.05 0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 1iti h MET 124 CO -0.54 -0.71 0.85 -0.09 1.06 0.00 0.00 176.91 177.48 1iti h ARG 125 N -1.11 0.00 0.04 1.72 9.65 -0.89 1.62 114.38 125.42 1iti h ARG 125 Ca -0.09 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1iti h ARG 125 Cb 0.91 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.49 1iti h ARG 125 CO 0.05 0.00 -0.02 1.49 2.80 0.00 0.00 179.97 184.29 1iti h GLU 126 N 0.00 -0.05 -0.06 0.20 4.81 -0.24 -3.21 114.58 116.03 1iti h GLU 126 Ca 0.55 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.78 1iti h GLU 126 Cb 2.25 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.64 1iti h GLU 126 CO -0.01 0.60 0.00 1.63 -0.73 0.00 0.00 179.01 180.50 1iti n LYS 127 N -4.76 1.24 0.00 1.92 5.02 0.21 -3.84 118.16 117.95 1iti n LYS 127 Ca -0.08 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1iti n LYS 127 Cb 0.33 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 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 -0.41 0.00 -1.87 2.13 9.36 0.53 -4.83 117.16 122.08 1iti n TYR 128 Ca 0.14 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.97 1iti n TYR 128 Cb 0.15 -0.04 0.03 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.70 5.47 0.00 2.98 1.04 -1.25 -4.95 113.70 116.29 1iti s SER 129 Ca 0.00 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.12 1iti s SER 129 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1iti s SER 129 CO 0.00 -1.42 0.00 2.29 0.98 0.00 0.00 173.24 175.09 1iti n LYS 130 N -0.87 0.00 0.16 4.02 2.85 -1.26 -4.94 118.16 118.12 1iti n LYS 130 Ca 0.09 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.40 1iti n LYS 130 Cb 0.45 0.00 0.25 0.00 -0.65 0.00 0.00 35.03 35.08 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 -1.93 5.07 -0.60 0.00 2.88 -1.26 -5.12 113.62 112.66 1iti n SER 132 Ca -0.01 -2.80 0.13 0.00 -1.33 0.00 0.00 58.87 54.87 1iti n SER 132 Cb 0.43 -0.90 0.42 0.00 -0.75 0.00 0.00 64.21 63.41 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57