#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 -2.69 0.00 0.62 0.00 -1.26 -4.99 120.51 112.19 1iti n ALA 2 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1iti n ALA 2 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.20 1.63 0.02 0.00 2.13 -1.26 -4.89 120.64 118.06 1iti n GLU 3 Ca -0.21 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.57 1iti n GLU 3 Cb 0.68 -0.15 -0.10 0.00 0.27 0.00 0.00 31.44 32.14 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iti h ALA 4 N 0.00 0.69 -2.33 4.31 0.00 -2.06 -3.44 119.26 116.44 1iti h ALA 4 Ca 0.00 -1.07 -0.41 0.00 0.00 0.00 0.00 54.91 53.44 1iti h ALA 4 Cb 0.00 0.34 -0.35 0.00 0.00 0.00 0.00 17.79 17.78 1iti h ALA 4 CO 0.00 1.17 -0.70 -3.38 0.00 0.00 0.00 179.25 176.34 1iti s HIS 5 N -2.80 -0.15 -1.56 0.00 -3.43 -1.26 -4.97 115.29 101.12 1iti s HIS 5 Ca -0.03 -0.54 0.13 0.00 -0.80 0.00 0.00 55.06 53.82 1iti s HIS 5 Cb 0.08 -0.61 0.45 0.00 -1.43 0.00 0.00 32.58 31.08 1iti s HIS 5 CO 0.81 -0.90 1.33 1.63 -2.00 0.00 0.00 174.74 175.62 1iti n LYS 6 N 5.09 2.51 -2.41 -0.38 5.02 -1.26 -4.90 118.16 121.83 1iti n LYS 6 Ca -0.01 -1.79 -0.42 0.00 -2.02 0.00 0.00 58.31 54.07 1iti n LYS 6 Cb 0.44 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 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 1.35 6.98 0.47 0.00 -1.08 -1.26 -4.91 116.67 118.22 1iti s ASP 8 Ca 0.58 1.20 0.29 0.00 -0.52 0.00 0.00 52.55 54.10 1iti s ASP 8 Cb -0.28 -2.45 1.03 0.00 -1.46 0.00 0.00 42.92 39.76 1iti s ASP 8 CO 0.26 -0.34 1.85 -0.29 0.52 0.00 0.00 175.17 177.16 1iti h ILE 9 N 5.10 0.00 0.70 4.11 2.10 -1.99 -3.26 117.51 124.27 1iti h ILE 9 Ca -0.32 -0.60 -0.03 0.00 1.08 0.00 0.00 64.86 64.98 1iti h ILE 9 Cb 1.15 1.57 0.01 0.00 -1.09 0.00 0.00 36.82 38.46 1iti h ILE 9 CO 0.82 0.00 -0.34 0.74 -1.08 0.00 0.00 178.15 178.29 1iti h THR 10 N 0.00 0.19 -0.04 2.19 2.02 -1.99 -1.82 112.91 113.45 1iti h THR 10 Ca 0.00 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.97 1iti h THR 10 Cb 0.63 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1iti h THR 10 CO 0.00 0.02 0.44 -0.07 0.37 0.00 0.00 175.52 176.28 1iti h LEU 11 N -1.12 0.00 0.01 2.58 3.38 -1.99 0.17 115.31 118.34 1iti h LEU 11 Ca -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 11 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iti h LEU 11 CO 0.16 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 178.07 1iti h GLN 12 N 0.00 -0.01 -0.40 1.13 -0.00 -1.47 -2.72 115.11 111.64 1iti h GLN 12 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.78 1iti h GLN 12 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.37 1iti h GLN 12 CO -0.00 -0.01 0.31 1.05 0.00 0.00 0.00 178.83 180.18 1iti h GLU 13 N -0.27 0.00 0.64 1.69 4.11 -0.87 -2.21 114.58 117.66 1iti h GLU 13 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1iti h GLU 13 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1iti h GLU 13 CO 0.00 0.00 -0.31 0.82 0.07 0.00 0.00 179.01 179.60 1iti h ILE 14 N 0.00 0.12 -0.62 -1.06 2.04 -0.79 -2.53 117.51 114.67 1iti h ILE 14 Ca 0.19 -0.35 0.13 0.00 1.00 0.00 0.00 64.86 65.83 1iti h ILE 14 Cb 0.81 0.17 -0.10 0.00 -0.74 0.00 0.00 36.82 36.95 1iti h ILE 14 CO -0.00 0.02 -0.00 0.40 0.00 0.00 0.00 178.15 178.56 1iti h ILE 15 N -1.16 0.49 -0.84 -0.67 2.04 -1.08 0.21 117.51 116.50 1iti h ILE 15 Ca -0.09 -0.04 0.16 0.00 1.00 0.00 0.00 64.86 65.90 1iti h ILE 15 Cb 0.68 0.36 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 1iti h ILE 15 CO 0.14 0.02 0.39 0.50 0.00 0.00 0.00 178.15 179.21 1iti h LYS 16 N 0.11 0.51 -0.89 2.37 1.63 -1.39 0.17 116.57 119.08 1iti h LYS 16 Ca 0.32 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.13 1iti h LYS 16 Cb 0.52 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.98 1iti h LYS 16 CO -0.53 0.34 0.57 1.15 -3.45 0.00 0.00 179.45 177.53 1iti h THR 17 N 0.52 1.13 -0.85 1.00 2.02 -0.14 -1.24 112.91 115.37 1iti h THR 17 Ca 0.48 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.31 1iti h THR 17 Cb 0.75 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 1iti h THR 17 CO -0.42 0.20 0.56 -0.07 0.37 0.00 0.00 175.52 176.16 1iti h LEU 18 N 1.10 0.91 -0.71 2.58 3.38 -0.24 -1.61 115.31 120.72 1iti h LEU 18 Ca 0.36 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1iti h LEU 18 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1iti h LEU 18 CO -0.13 0.63 0.28 0.78 0.09 0.00 0.00 178.44 180.09 1iti h ASN 19 N 1.06 0.99 -0.74 -0.43 4.21 -0.77 -2.18 115.58 117.72 1iti h ASN 19 Ca 0.33 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.65 1iti h ASN 19 Cb 0.02 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 36.92 1iti h ASN 19 CO -0.10 0.90 0.39 0.28 -1.29 0.00 0.00 177.43 177.61 1iti h SER 20 N 1.02 0.96 -0.08 5.81 0.02 -0.91 -2.60 113.55 117.77 1iti h SER 20 Ca 0.24 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1iti h SER 20 Cb 0.22 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1iti h SER 20 CO -0.02 0.79 0.03 -0.07 -1.14 0.00 0.00 176.83 176.41 1iti h LEU 21 N 1.06 0.11 -0.93 5.07 3.38 -0.92 -2.73 115.31 120.35 1iti h LEU 21 Ca 0.27 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.21 1iti h LEU 21 Cb 0.06 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 1iti h LEU 21 CO -0.04 0.27 0.53 0.71 0.09 0.00 0.00 178.44 180.00 1iti h THR 22 N -0.06 0.73 -0.60 0.22 1.35 -1.10 0.33 112.91 113.78 1iti h THR 22 Ca 0.02 -0.25 0.13 0.00 -0.55 0.00 0.00 66.41 65.77 1iti h THR 22 Cb 0.20 -0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 66.54 1iti h THR 22 CO -0.00 0.13 0.41 -0.33 -0.25 0.00 0.00 175.52 175.48 1iti h GLU 23 N 0.72 0.26 -5.86 4.72 5.08 -1.15 -3.39 114.58 114.95 1iti h GLU 23 Ca 0.52 -0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 58.26 1iti h GLU 23 Cb 0.75 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1iti h GLU 23 CO -0.36 0.17 -0.23 -0.65 -1.00 0.00 0.00 179.01 176.94 1iti s GLN 24 N -5.26 4.01 -0.02 2.33 -0.21 0.12 -5.08 119.66 115.55 1iti s GLN 24 Ca -0.07 0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.65 1iti s GLN 24 Cb 0.20 -3.29 0.02 0.00 1.00 0.00 0.00 33.01 30.94 1iti s GLN 24 CO 0.75 0.53 -0.00 0.15 -2.12 0.00 0.00 175.29 174.59 1iti s LYS 25 N -0.54 0.24 0.22 2.91 3.01 -1.26 -4.92 119.74 119.40 1iti s LYS 25 Ca 0.22 0.03 -0.07 0.00 -1.01 0.00 0.00 55.97 55.15 1iti s LYS 25 Cb -0.16 -0.37 -0.02 0.00 -1.01 0.00 0.00 37.83 36.27 1iti s LYS 25 CO 0.11 -0.08 0.30 0.95 0.51 0.00 0.00 175.35 177.14 1iti s THR 26 N 0.68 0.00 -0.56 2.17 -4.23 -1.26 -5.01 115.64 107.44 1iti s THR 26 Ca -0.07 -1.71 0.19 0.00 -1.18 0.00 0.00 61.69 58.92 1iti s THR 26 Cb -0.10 -2.34 0.19 0.00 1.34 0.00 0.00 72.50 71.59 1iti s THR 26 CO -0.01 -0.01 1.57 0.00 -0.54 0.00 0.00 174.62 175.63 1iti n LEU 27 N -0.32 0.44 0.00 4.79 -0.00 -1.26 -1.99 117.00 118.67 1iti n LEU 27 Ca 0.00 0.64 0.03 0.00 -0.00 0.00 0.00 56.01 56.68 1iti n LEU 27 Cb 0.64 -0.62 0.17 0.00 -0.00 0.00 0.00 43.42 43.60 1iti n LEU 27 CO 0.28 -0.61 0.47 0.00 -0.00 0.00 0.00 177.39 177.53 1iti h THR 29 N 0.00 1.01 0.00 0.00 1.35 -1.83 -3.28 112.91 110.16 1iti h THR 29 Ca 0.00 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1iti h THR 29 Cb 0.03 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1iti h THR 29 CO 0.00 0.57 0.00 -0.62 -0.25 0.00 0.00 175.52 175.22 1iti n GLU 30 N -3.10 0.11 -2.34 4.72 1.02 -0.47 -3.61 120.64 116.97 1iti n GLU 30 Ca -0.13 0.57 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 1iti n GLU 30 Cb 1.01 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.56 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iti s LEU 31 N -4.14 4.48 0.24 -4.62 1.43 -1.24 -4.94 118.68 109.90 1iti s LEU 31 Ca -0.01 2.37 -0.06 0.00 -1.03 0.00 0.00 54.13 55.41 1iti s LEU 31 Cb 0.05 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 1iti s LEU 31 CO 0.18 -0.33 0.50 0.42 0.23 0.00 0.00 176.35 177.35 1iti s THR 32 N -0.74 5.05 0.04 5.49 -4.23 -1.26 -3.26 115.64 116.72 1iti s THR 32 Ca 0.49 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 1iti s THR 32 Cb -0.34 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 69.78 1iti s THR 32 CO 0.42 -0.18 -0.05 0.68 -0.54 0.00 0.00 174.62 174.96 1iti s VAL 33 N -1.92 0.30 0.18 2.29 -7.23 -0.96 -4.94 120.40 108.12 1iti s VAL 33 Ca 0.44 -1.21 -0.32 0.00 -1.81 0.00 0.00 61.98 59.08 1iti s VAL 33 Cb -0.11 -0.71 -0.12 0.00 0.56 0.00 0.00 36.38 36.00 1iti s VAL 33 CO 0.27 -0.59 1.73 0.41 -0.31 0.00 0.00 175.10 176.61 1iti n THR 34 N 1.15 0.08 -1.55 5.32 -1.04 -1.26 -0.26 114.28 116.71 1iti n THR 34 Ca -0.21 -0.01 -0.16 0.00 -2.04 0.00 0.00 64.05 61.63 1iti n THR 34 Cb 0.56 -1.97 0.11 0.00 -1.82 0.00 0.00 70.33 67.22 1iti n THR 34 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1iti n ASP 35 N 4.26 0.09 0.00 8.00 2.03 -0.58 -4.71 116.55 125.64 1iti n ASP 35 Ca 0.17 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.19 1iti n ASP 35 Cb 0.35 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 1iti n ASP 35 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1iti n ILE 36 N -2.96 0.00 1.40 5.18 -5.35 -1.26 -4.66 119.36 111.71 1iti n ILE 36 Ca 0.09 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.69 1iti n ILE 36 Cb 0.32 0.00 0.69 0.00 -1.74 0.00 0.00 39.64 38.90 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 0.00 1.58 4.28 3.72 -1.26 -2.76 117.46 122.01 1iti n PHE 37 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 1iti n PHE 37 Cb 0.00 -0.09 0.25 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.09 2.52 -2.69 4.37 0.00 -1.26 -3.97 120.51 118.38 1iti n ALA 38 Ca 0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1iti n ALA 38 Cb 0.12 -1.09 0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.16 1.67 -2.30 0.00 0.00 -1.11 -4.85 120.51 113.75 1iti n ALA 39 Ca 0.09 -1.63 -0.42 0.00 0.00 0.00 0.00 53.44 51.48 1iti n ALA 39 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1iti n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iti n SER 40 N -0.52 5.40 0.00 0.00 2.88 -1.25 -4.71 113.62 115.41 1iti n SER 40 Ca -0.01 -3.12 0.00 0.00 -1.33 0.00 0.00 58.87 54.41 1iti n SER 40 Cb 0.84 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1iti n SER 40 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iti n LYS 41 N 3.61 0.00 0.01 -1.46 5.02 -1.26 -4.71 118.16 119.36 1iti n LYS 41 Ca 0.42 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1iti n LYS 41 Cb 0.35 -0.15 0.14 0.00 -0.02 0.00 0.00 35.03 35.35 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 -0.93 0.63 -4.73 4.39 5.68 -1.26 -4.90 116.55 115.43 1iti n ASP 42 Ca 0.00 -0.39 -0.42 0.00 -0.50 0.00 0.00 54.79 53.48 1iti n ASP 42 Cb 0.00 0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 40.42 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 -3.03 2.40 0.62 2.12 -4.23 -1.26 -4.99 115.64 107.27 1iti s THR 43 Ca 0.09 0.30 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 1iti s THR 43 Cb 0.17 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.87 1iti s THR 43 CO 0.75 0.03 0.87 -0.89 -0.54 0.00 0.00 174.62 174.84 1iti s THR 44 N 0.84 2.49 0.54 3.99 2.01 -1.26 -4.89 115.64 119.36 1iti s THR 44 Ca 0.69 -0.53 0.29 0.00 0.31 0.00 0.00 61.69 62.45 1iti s THR 44 Cb -0.46 -2.96 0.45 0.00 0.01 0.00 0.00 72.50 69.54 1iti s THR 44 CO 0.35 0.00 1.92 -0.33 -0.69 0.00 0.00 174.62 175.88 1iti h GLU 45 N -0.21 0.00 0.66 4.92 3.07 -1.99 -1.55 114.58 119.48 1iti h GLU 45 Ca -0.42 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.41 1iti h GLU 45 Cb 1.30 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1iti h GLU 45 CO 0.53 0.00 -0.32 0.87 -1.40 0.00 0.00 179.01 178.70 1iti h LYS 46 N 0.00 -0.85 0.00 2.33 1.57 -2.00 -2.40 116.57 115.22 1iti h LYS 46 Ca 0.35 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1iti h LYS 46 Cb 1.43 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.94 1iti h LYS 46 CO -0.00 -0.57 0.02 0.39 -0.57 0.00 0.00 179.45 178.72 1iti n GLU 47 N -5.09 0.05 -0.04 3.15 4.71 -0.77 -1.98 120.64 120.68 1iti n GLU 47 Ca -0.11 0.53 -0.11 0.00 -0.01 0.00 0.00 57.16 57.46 1iti n GLU 47 Cb 0.35 -1.69 -0.10 0.00 -1.01 0.00 0.00 31.44 29.00 1iti n GLU 47 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1iti h THR 48 N 0.00 1.30 -0.12 2.62 2.02 -0.83 -2.72 112.91 115.19 1iti h THR 48 Ca 0.00 -1.79 -0.04 0.00 0.77 0.00 0.00 66.41 65.34 1iti h THR 48 Cb 0.05 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1iti h THR 48 CO 0.00 0.41 -0.12 -0.26 0.37 0.00 0.00 175.52 175.92 1iti h PHE 49 N -0.92 0.19 0.49 3.16 0.04 -1.00 -2.42 116.94 116.47 1iti h PHE 49 Ca -0.00 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1iti h PHE 49 Cb 0.70 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1iti h PHE 49 CO 0.18 0.30 -0.24 0.00 -0.60 0.00 0.00 178.31 177.95 1iti h ARG 51 N -0.88 0.42 -0.24 0.00 3.08 -1.44 1.01 114.38 116.34 1iti h ARG 51 Ca -0.07 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1iti h ARG 51 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1iti h ARG 51 CO 0.11 0.28 -0.07 0.00 -1.07 0.00 0.00 179.97 179.22 1iti h ALA 52 N 1.72 1.44 -0.01 0.04 0.00 -1.31 -2.69 119.26 118.45 1iti h ALA 52 Ca 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.34 1iti h ALA 52 Cb 1.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1iti h ALA 52 CO -0.46 0.39 -0.13 0.00 0.00 0.00 0.00 179.25 179.06 1iti h ALA 53 N 1.57 0.03 -0.82 0.00 0.00 0.18 -2.76 119.26 117.45 1iti h ALA 53 Ca 0.07 -0.41 0.20 0.00 0.00 0.00 0.00 54.91 54.77 1iti h ALA 53 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.03 1iti h ALA 53 CO 0.02 -0.01 0.26 1.15 0.00 0.00 0.00 179.25 180.66 1iti h THR 54 N -0.59 0.45 0.82 0.00 2.02 -1.01 0.71 112.91 115.32 1iti h THR 54 Ca -0.01 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1iti h THR 54 Cb 0.87 0.13 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1iti h THR 54 CO 0.03 0.06 -0.39 0.58 0.37 0.00 0.00 175.52 176.16 1iti h VAL 55 N 0.30 0.00 -1.28 3.16 2.07 -1.51 -2.44 116.25 116.56 1iti h VAL 55 Ca 0.49 -0.19 0.37 0.00 0.82 0.00 0.00 66.70 68.20 1iti h VAL 55 Cb 0.91 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1iti h VAL 55 CO -0.55 0.00 0.92 -0.07 0.02 0.00 0.00 177.57 177.88 1iti h LEU 56 N -1.28 0.01 0.50 2.57 3.38 -1.02 -0.70 115.31 118.77 1iti h LEU 56 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1iti h LEU 56 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1iti h LEU 56 CO 0.18 0.00 -0.24 -0.09 0.09 0.00 0.00 178.44 178.38 1iti h ARG 57 N 0.01 -0.65 0.00 1.13 2.43 -0.42 -2.44 114.38 114.43 1iti h ARG 57 Ca 0.61 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 1iti h ARG 57 Cb 2.43 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 32.13 1iti h ARG 57 CO -0.02 -0.44 0.00 0.00 -1.51 0.00 0.00 179.97 178.01 1iti n GLN 58 N -4.27 0.09 0.00 0.20 10.64 -0.45 -1.48 117.38 122.12 1iti n GLN 58 Ca -0.08 0.17 0.00 0.00 -1.83 0.00 0.00 57.00 55.26 1iti n GLN 58 Cb 0.27 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 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 -1.20 0.00 1.37 2.61 7.35 -0.40 -3.04 117.46 124.15 1iti n PHE 59 Ca 0.03 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.84 1iti n PHE 59 Cb 0.03 -0.37 0.68 0.00 0.35 0.00 0.00 39.48 40.17 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 -2.01 0.00 -0.04 -5.13 0.18 -1.01 -1.50 117.16 107.64 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 -0.13 0.00 -0.38 0.00 0.00 39.34 38.73 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 2.08 -0.03 9.48 7.64 -0.55 -3.49 113.62 127.65 1iti n SER 61 Ca 0.16 0.12 -0.22 0.00 1.01 0.00 0.00 58.87 59.94 1iti n SER 61 Cb 0.12 -0.74 -0.13 0.00 -1.01 0.00 0.00 64.21 62.45 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 -3.45 1.18 0.09 1.43 8.25 -1.17 -4.13 115.22 117.42 1iti n HIS 62 Ca -0.36 0.33 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1iti n HIS 62 Cb 1.02 -1.14 -0.08 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.32 -0.20 0.00 4.41 3.86 -1.46 -1.94 115.15 119.51 1iti h HIS 63 Ca -0.40 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1iti h HIS 63 Cb 1.78 0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.31 1iti h HIS 63 CO 0.08 0.07 0.49 1.49 0.86 0.00 0.00 177.93 180.93 1iti h GLU 64 N -0.47 0.00 0.05 2.45 4.81 -1.70 0.77 114.58 120.49 1iti h GLU 64 Ca -0.02 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.86 1iti h GLU 64 Cb 0.37 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1iti h GLU 64 CO 0.04 0.00 -2.07 1.63 -0.73 0.00 0.00 179.01 177.87 1iti n LYS 65 N -2.04 0.69 -1.59 1.92 4.01 -0.76 -4.92 118.16 115.46 1iti n LYS 65 Ca -0.01 0.21 -0.32 0.00 -0.51 0.00 0.00 58.31 57.68 1iti n LYS 65 Cb 0.51 -1.67 0.06 0.00 -0.51 0.00 0.00 35.03 33.42 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1iti s ASP 66 N -6.43 4.87 -0.80 4.39 -1.08 0.27 -4.94 116.67 112.94 1iti s ASP 66 Ca -0.18 1.97 -0.02 0.00 -0.52 0.00 0.00 52.55 53.80 1iti s ASP 66 Cb 0.07 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.36 1iti s ASP 66 CO 0.76 -1.79 2.02 0.35 0.52 0.00 0.00 175.17 177.03 1iti n THR 67 N -2.76 3.59 0.00 1.71 -2.24 -1.26 -4.68 114.28 108.64 1iti n THR 67 Ca 0.10 -3.97 0.00 0.00 -2.27 0.00 0.00 64.05 57.91 1iti n THR 67 Cb 0.52 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 1iti n THR 67 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1iti n ARG 68 N -0.63 0.00 0.00 -0.78 1.85 -1.26 -3.94 116.66 111.90 1iti n ARG 68 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.41 1iti n ARG 68 Cb 0.34 -0.14 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1iti h LEU 70 N 0.00 0.00 0.00 0.00 3.38 -1.84 -3.46 115.31 113.39 1iti h LEU 70 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1iti h LEU 70 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1iti h LEU 70 CO 0.00 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1iti n GLY 71 N 1.67 0.07 0.00 0.83 0.00 -0.59 -4.35 105.19 102.81 1iti n GLY 71 Ca -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 6.65 0.16 -1.92 4.61 0.00 -1.26 -4.98 120.51 123.76 1iti n ALA 72 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1iti n ALA 72 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1iti n ALA 72 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iti s THR 73 N -0.00 4.59 -1.43 0.00 -4.23 -1.26 -4.95 115.64 108.36 1iti s THR 73 Ca 0.00 1.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.86 1iti s THR 73 Cb 0.00 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1iti s THR 73 CO 0.00 -0.65 1.72 0.00 -0.54 0.00 0.00 174.62 175.15 1iti n ALA 74 N -1.51 2.93 -0.05 3.99 0.00 -1.26 -3.42 120.51 121.18 1iti n ALA 74 Ca 0.06 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1iti n ALA 74 Cb 0.54 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 1iti n ALA 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1iti h GLN 75 N 0.47 0.12 0.00 0.00 3.07 -1.97 -3.36 115.11 113.45 1iti h GLN 75 Ca 0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 58.65 58.48 1iti h GLN 75 Cb 0.44 0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 1iti h GLN 75 CO 0.00 1.10 -0.27 0.37 0.09 0.00 0.00 178.83 180.12 1iti h GLN 76 N -0.54 0.00 0.12 0.06 5.75 -1.87 -2.29 115.11 116.35 1iti h GLN 76 Ca -0.38 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1iti h GLN 76 Cb 1.62 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.17 1iti h GLN 76 CO -0.08 0.27 -0.09 0.35 -2.65 0.00 0.00 178.83 176.63 1iti h PHE 77 N 0.00 -0.24 -0.49 3.99 3.57 -1.70 0.17 116.94 122.24 1iti h PHE 77 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1iti h PHE 77 Cb 0.53 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1iti h PHE 77 CO 0.00 -0.12 0.33 1.25 -2.23 0.00 0.00 178.31 177.54 1iti h HIS 78 N -0.20 0.40 0.00 0.41 2.76 -1.70 0.39 115.15 117.21 1iti h HIS 78 Ca -0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1iti h HIS 78 Cb 0.16 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1iti h HIS 78 CO 0.01 0.21 0.00 -2.13 -1.30 0.00 0.00 177.93 174.72 1iti n ARG 79 N -4.47 0.11 -0.06 5.26 0.63 -0.86 -2.85 116.66 114.42 1iti n ARG 79 Ca 0.07 0.36 -0.22 0.00 -0.92 0.00 0.00 57.85 57.14 1iti n ARG 79 Cb 0.27 -1.72 -0.12 0.00 0.45 0.00 0.00 32.46 31.34 1iti n ARG 79 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1iti h HIS 80 N 0.00 0.19 -0.85 -0.14 2.76 0.28 -3.32 115.15 114.06 1iti h HIS 80 Ca 0.00 -0.14 0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1iti h HIS 80 Cb 0.31 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.20 1iti h HIS 80 CO 0.00 1.61 0.55 0.87 -1.30 0.00 0.00 177.93 179.66 1iti h LYS 81 N -0.60 0.84 -0.83 5.26 6.56 -1.37 -0.04 116.57 126.40 1iti h LYS 81 Ca -0.38 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 1iti h LYS 81 Cb 1.58 -0.19 -0.04 0.00 -0.57 0.00 0.00 32.23 33.01 1iti h LYS 81 CO -0.10 0.56 0.53 1.96 -2.06 0.00 0.00 179.45 180.34 1iti h GLN 82 N 0.87 1.10 0.68 3.15 4.20 -1.68 -1.13 115.11 122.30 1iti h GLN 82 Ca 0.39 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1iti h GLN 82 Cb 0.35 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 27.90 1iti h GLN 82 CO -0.15 0.74 -0.33 1.25 -0.67 0.00 0.00 178.83 179.67 1iti h LEU 83 N 1.13 -0.78 -0.90 1.46 6.46 -1.12 -2.67 115.31 118.89 1iti h LEU 83 Ca 0.30 0.01 0.22 0.00 -0.12 0.00 0.00 57.88 58.29 1iti h LEU 83 Cb -0.10 0.20 -0.12 0.00 -0.73 0.00 0.00 40.66 39.91 1iti h LEU 83 CO -0.06 -0.40 0.40 0.40 -0.62 0.00 0.00 178.44 178.16 1iti h ILE 84 N -1.20 0.48 -0.32 4.05 1.08 -1.28 0.12 117.51 120.44 1iti h ILE 84 Ca -0.09 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.30 1iti h ILE 84 Cb 0.72 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 1iti h ILE 84 CO 0.15 0.07 -0.06 0.03 -0.69 0.00 0.00 178.15 177.66 1iti h ARG 85 N 0.41 0.02 -0.02 2.37 2.47 -1.08 0.35 114.38 118.90 1iti h ARG 85 Ca 0.56 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.31 1iti h ARG 85 Cb 1.06 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.34 1iti h ARG 85 CO -0.52 0.01 -0.17 0.74 0.56 0.00 0.00 179.97 180.59 1iti h PHE 86 N 0.02 -0.44 -0.37 3.04 0.04 -0.43 0.03 116.94 118.83 1iti h PHE 86 Ca 0.15 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1iti h PHE 86 Cb 0.23 0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1iti h PHE 86 CO -0.28 -0.24 0.20 -0.07 -0.60 0.00 0.00 178.31 177.32 1iti h LEU 87 N -0.27 0.45 -0.38 1.54 3.38 -0.88 0.72 115.31 119.87 1iti h LEU 87 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1iti h LEU 87 Cb 0.35 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1iti h LEU 87 CO -0.18 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.00 1iti n LYS 88 N -4.44 0.18 0.00 1.13 4.76 0.12 -1.92 118.16 117.98 1iti n LYS 88 Ca 0.02 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1iti n LYS 88 Cb 0.10 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.50 1iti n LYS 88 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1iti n ARG 89 N -2.12 0.00 -0.12 1.97 0.63 0.20 -4.16 116.66 113.07 1iti n ARG 89 Ca 0.04 0.25 0.22 0.00 -0.92 0.00 0.00 57.85 57.43 1iti n ARG 89 Cb 0.29 -0.75 0.64 0.00 0.45 0.00 0.00 32.46 33.09 1iti n ARG 89 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1iti h LEU 90 N 0.00 0.14 -1.32 6.15 8.10 -1.56 0.95 115.31 127.77 1iti h LEU 90 Ca 0.00 0.01 0.20 0.00 0.11 0.00 0.00 57.88 58.20 1iti h LEU 90 Cb 0.00 -0.02 -0.08 0.00 -0.44 0.00 0.00 40.66 40.12 1iti h LEU 90 CO 0.00 0.06 0.61 -0.78 -4.11 0.00 0.00 178.44 174.22 1iti h ASP 91 N 0.14 0.55 0.51 0.17 3.58 -1.57 -0.04 116.42 119.77 1iti h ASP 91 Ca 0.36 0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.58 1iti h ASP 91 Cb 1.20 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 1iti h ASP 91 CO -0.05 0.21 -1.51 0.03 -2.88 0.00 0.00 179.24 175.03 1iti h ARG 92 N 0.54 0.18 0.28 0.28 2.47 -0.98 -3.25 114.38 113.90 1iti h ARG 92 Ca 0.51 -0.30 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1iti h ARG 92 Cb 1.08 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1iti h ARG 92 CO -0.25 1.00 -0.25 -0.91 0.56 0.00 0.00 179.97 180.12 1iti h ASN 93 N 0.05 -0.66 0.08 7.04 4.21 -0.70 0.30 115.58 125.89 1iti h ASN 93 Ca -0.23 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1iti h ASN 93 Cb 1.98 0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 39.40 1iti h ASN 93 CO 0.14 -0.37 -0.07 -0.07 -1.29 0.00 0.00 177.43 175.77 1iti h LEU 94 N -0.55 -0.19 -0.58 1.61 3.38 -1.37 0.46 115.31 118.07 1iti h LEU 94 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iti h LEU 94 Cb 0.50 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1iti h LEU 94 CO -0.04 -0.09 0.45 1.87 0.09 0.00 0.00 178.44 180.72 1iti n TRP 95 N -2.67 0.30 0.03 1.13 -0.00 -1.21 -1.77 117.44 113.24 1iti n TRP 95 Ca -0.02 0.16 -0.01 0.00 -0.00 0.00 0.00 57.50 57.63 1iti n TRP 95 Cb 0.06 -0.45 -0.01 0.00 -0.00 0.00 0.00 31.31 30.92 1iti n TRP 95 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1iti h GLY 96 N 0.00 -0.09 1.15 5.87 0.00 0.13 -3.09 103.07 107.05 1iti h GLY 96 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1iti h GLY 96 CO 0.00 -0.03 0.00 1.47 0.00 0.00 0.00 176.54 177.98 1iti n LEU 97 N -2.55 0.00 0.00 3.11 -0.00 -0.73 -2.96 117.00 113.87 1iti n LEU 97 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1iti n LEU 97 CO 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.34 1iti n ALA 98 N -1.08 0.00 -1.04 1.47 0.00 -1.01 -4.95 120.51 113.90 1iti n ALA 98 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 1iti n ALA 98 Cb 0.00 0.00 -0.01 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 1.96 0.50 3.79 0.00 0.00 -1.16 -5.01 105.19 105.27 1iti n GLY 99 Ca 0.00 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.28 4.52 -0.01 0.99 1.43 -1.26 -5.01 118.68 119.06 1iti s LEU 100 Ca 0.00 1.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1iti s LEU 100 Cb 0.00 -3.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.88 1iti s LEU 100 CO 0.00 0.17 -0.01 0.59 0.23 0.00 0.00 176.35 177.33 1iti n ASN 101 N 1.36 0.08 -4.82 2.29 5.03 -1.26 -4.93 115.26 113.01 1iti n ASN 101 Ca -0.05 0.20 -0.38 0.00 0.87 0.00 0.00 54.58 55.22 1iti n ASN 101 Cb 0.50 -0.52 -0.06 0.00 -1.02 0.00 0.00 39.78 38.68 1iti n ASN 101 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1iti s SER 102 N -3.73 6.99 -0.44 6.41 0.01 -1.26 -5.00 113.70 116.68 1iti s SER 102 Ca -0.01 1.21 0.04 0.00 1.31 0.00 0.00 55.95 58.50 1iti s SER 102 Cb 0.00 -2.34 0.26 0.00 0.21 0.00 0.00 66.02 64.16 1iti s SER 102 CO 0.01 0.22 1.02 0.00 0.41 0.00 0.00 173.24 174.90 1iti s PRO 104 N 0.48 2.62 0.58 0.00 0.05 -1.26 -4.93 135.00 132.53 1iti s PRO 104 Ca 0.29 1.83 0.01 0.00 0.05 0.00 0.00 61.00 63.18 1iti s PRO 104 Cb 0.24 -1.88 0.05 0.00 0.05 0.00 0.00 34.50 32.95 1iti s PRO 104 CO -0.18 -1.48 0.81 0.54 0.05 0.00 0.00 177.00 176.73 1iti s VAL 105 N -1.71 2.58 0.00 -0.36 0.11 -1.26 -5.04 120.40 114.72 1iti s VAL 105 Ca 0.77 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1iti s VAL 105 Cb -0.31 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1iti s VAL 105 CO 0.39 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.33 1iti n LYS 106 N -2.42 0.00 -2.87 1.54 4.81 -1.26 -5.15 118.16 112.81 1iti n LYS 106 Ca 0.09 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.29 1iti n LYS 106 Cb 0.60 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.66 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 4.00 3.07 0.00 1.64 2.02 -1.26 -5.09 118.70 123.08 1iti s GLU 107 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1iti s GLU 107 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1iti s GLU 107 CO 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 175.26 174.94 1iti n ALA 108 N -2.17 0.00 -1.00 5.21 0.00 -1.26 -5.00 120.51 116.29 1iti n ALA 108 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1iti n ALA 108 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.84 0.00 9.92 -1.26 -4.54 116.55 116.83 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1iti n ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1iti n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iti s GLN 110 N 0.00 0.76 -0.08 -1.24 0.00 -1.26 -1.53 119.66 116.31 1iti s GLN 110 Ca 0.00 -0.73 -0.09 0.00 -0.00 0.00 0.00 55.36 54.54 1iti s GLN 110 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 33.01 33.35 1iti s GLN 110 CO 0.00 -0.23 0.25 -1.54 0.00 0.00 0.00 175.29 173.77 1iti s SER 111 N -2.35 -0.24 0.41 12.60 1.04 0.64 -4.64 113.70 121.15 1iti s SER 111 Ca -0.02 0.42 -0.26 0.00 0.48 0.00 0.00 55.95 56.57 1iti s SER 111 Cb 0.01 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.52 1iti s SER 111 CO -0.06 -0.14 1.37 0.42 0.98 0.00 0.00 173.24 175.81 1iti s THR 112 N -0.09 2.38 0.57 2.02 -4.23 -1.26 -2.26 115.64 112.77 1iti s THR 112 Ca -0.02 0.35 0.33 0.00 -1.18 0.00 0.00 61.69 61.17 1iti s THR 112 Cb -0.02 -3.21 0.48 0.00 1.34 0.00 0.00 72.50 71.09 1iti s THR 112 CO 0.01 0.06 1.71 0.25 -0.54 0.00 0.00 174.62 176.11 1iti h LEU 113 N 2.68 0.00 0.00 4.79 5.85 -1.61 0.21 115.31 127.24 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 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1iti h LEU 113 CO 0.63 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.94 1iti n GLU 114 N -3.82 0.00 -0.34 1.25 2.13 -1.26 -1.55 120.64 117.04 1iti n GLU 114 Ca 0.21 0.12 0.22 0.00 0.66 0.00 0.00 57.16 58.37 1iti n GLU 114 Cb 1.19 -0.86 0.46 0.00 0.27 0.00 0.00 31.44 32.50 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 0.55 -0.48 4.31 2.35 -1.85 0.36 115.58 120.81 1iti h ASN 115 Ca 0.00 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1iti h ASN 115 Cb 0.00 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1iti h ASN 115 CO 0.00 0.03 0.28 0.15 -1.65 0.00 0.00 177.43 176.24 1iti h PHE 116 N 0.44 0.53 0.00 1.19 3.04 -0.67 0.38 116.94 121.85 1iti h PHE 116 Ca 0.66 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.63 1iti h PHE 116 Cb 1.49 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.83 1iti h PHE 116 CO -0.01 0.30 0.00 -0.07 -2.02 0.00 0.00 178.31 176.51 1iti h LEU 117 N 0.56 0.00 0.01 0.59 3.38 0.73 -2.47 115.31 118.12 1iti h LEU 117 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1iti h LEU 117 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1iti h LEU 117 CO -0.10 0.00 -0.00 -0.08 0.09 0.00 0.00 178.44 178.35 1iti h GLU 118 N 0.00 -0.01 -1.18 1.13 4.57 -0.16 -2.76 114.58 116.17 1iti h GLU 118 Ca 0.00 0.00 0.34 0.00 -1.18 0.00 0.00 59.36 58.52 1iti h GLU 118 Cb 0.33 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.87 1iti h GLU 118 CO 0.00 -0.01 0.84 0.07 -1.18 0.00 0.00 179.01 178.73 1iti h ARG 119 N -0.09 0.05 0.70 1.92 0.11 -1.40 -0.12 114.38 115.55 1iti h ARG 119 Ca -0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 1iti h ARG 119 Cb 0.01 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.08 1iti h ARG 119 CO 0.00 0.03 -0.33 1.25 0.10 0.00 0.00 179.97 181.02 1iti h LEU 120 N 0.05 -0.79 -0.79 0.08 6.46 -1.53 -0.83 115.31 117.96 1iti h LEU 120 Ca 0.58 0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.44 1iti h LEU 120 Cb 2.19 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 42.25 1iti h LEU 120 CO -0.05 -0.42 0.44 0.50 -0.62 0.00 0.00 178.44 178.29 1iti h LYS 121 N -1.22 0.74 -0.36 1.25 3.64 -0.82 -1.50 116.57 118.30 1iti h LYS 121 Ca -0.10 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1iti h LYS 121 Cb 0.73 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1iti h LYS 121 CO 0.16 0.49 0.15 1.15 -2.27 0.00 0.00 179.45 179.12 1iti h THR 122 N 0.76 0.93 -0.35 1.00 2.02 -1.03 -2.27 112.91 113.97 1iti h THR 122 Ca 0.37 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.52 1iti h THR 122 Cb 0.33 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.26 1iti h THR 122 CO -0.24 0.06 -0.08 0.40 0.37 0.00 0.00 175.52 176.03 1iti h ILE 123 N 0.31 0.66 -0.06 3.11 2.04 -0.11 -1.78 117.51 121.68 1iti h ILE 123 Ca 0.16 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1iti h ILE 123 Cb 0.10 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1iti h ILE 123 CO -0.14 0.00 -0.36 0.24 0.00 0.00 0.00 178.15 177.89 1iti h MET 124 N 0.00 -0.40 -0.57 2.37 2.86 -0.97 0.64 114.93 118.87 1iti h MET 124 Ca 0.17 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.00 1iti h MET 124 Cb 0.25 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1iti h MET 124 CO -0.36 -0.27 0.70 0.00 1.06 0.00 0.00 176.91 178.05 1iti h ARG 125 N -0.41 0.00 0.01 1.72 3.08 -1.14 0.92 114.38 118.56 1iti h ARG 125 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1iti h ARG 125 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1iti h ARG 125 CO -0.27 0.00 -0.00 1.49 -1.07 0.00 0.00 179.97 180.11 1iti h GLU 126 N 0.00 -0.01 0.00 0.04 4.81 0.99 -3.27 114.58 117.14 1iti h GLU 126 Ca 0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1iti h GLU 126 Cb 1.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.05 1iti h GLU 126 CO -0.00 0.79 0.00 1.63 -0.73 0.00 0.00 179.01 180.70 1iti n LYS 127 N -4.67 0.09 0.00 1.92 5.02 0.49 -2.85 118.16 118.16 1iti n LYS 127 Ca -0.09 0.06 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 1iti n LYS 127 Cb 0.39 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.39 1iti n LYS 127 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iti n TYR 128 N -1.45 0.00 -2.25 2.13 9.36 0.30 -4.74 117.16 120.51 1iti n TYR 128 Ca 0.08 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.87 1iti n TYR 128 Cb 0.27 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.96 1iti n TYR 128 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iti s SER 129 N -1.59 6.14 0.00 2.98 0.15 -1.13 -4.64 113.70 115.61 1iti s SER 129 Ca 0.25 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1iti s SER 129 Cb 0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1iti s SER 129 CO 0.19 -1.59 0.00 2.29 1.20 0.00 0.00 173.24 175.33 1iti n LYS 130 N 8.31 0.00 0.16 5.44 2.85 -1.26 -4.94 118.16 128.72 1iti n LYS 130 Ca 0.18 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.61 1iti n LYS 130 Cb 0.48 0.00 0.62 0.00 -0.65 0.00 0.00 35.03 35.48 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 -3.19 5.04 -0.60 0.00 2.88 -1.26 -5.11 113.62 111.38 1iti n SER 132 Ca 0.06 -2.77 0.13 0.00 -1.33 0.00 0.00 58.87 54.96 1iti n SER 132 Cb 0.73 -0.90 0.42 0.00 -0.75 0.00 0.00 64.21 63.71 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57