#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti s ALA 2 N 0.00 1.82 -2.00 0.62 0.00 -1.26 -4.70 121.76 116.23 1iti s ALA 2 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 51.96 50.01 1iti s ALA 2 Cb 0.00 -4.64 0.29 0.00 0.00 0.00 0.00 23.12 18.77 1iti s ALA 2 CO 0.00 -5.05 0.68 0.39 0.00 0.00 0.00 175.76 171.78 1iti n GLU 3 N 8.45 0.21 0.03 0.00 1.02 -1.26 -1.44 120.64 127.64 1iti n GLU 3 Ca 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.57 1iti n GLU 3 Cb 0.47 -1.36 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iti n ALA 4 N -0.86 1.90 -2.34 0.62 0.00 -1.26 -4.90 120.51 113.67 1iti n ALA 4 Ca 0.04 -0.57 -0.24 0.00 0.00 0.00 0.00 53.44 52.67 1iti n ALA 4 Cb 0.02 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.53 1iti n ALA 4 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1iti s HIS 5 N -2.90 3.27 -0.32 0.00 3.76 -0.52 -4.97 115.29 113.60 1iti s HIS 5 Ca -0.03 0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.23 1iti s HIS 5 Cb 0.09 -2.30 0.43 0.00 1.11 0.00 0.00 32.58 31.91 1iti s HIS 5 CO 0.81 -0.34 1.52 1.63 -0.85 0.00 0.00 174.74 177.51 1iti n LYS 6 N -2.10 2.08 -1.68 1.40 5.02 -1.26 -4.96 118.16 116.67 1iti n LYS 6 Ca 0.01 -1.89 -0.57 0.00 -2.02 0.00 0.00 58.31 53.84 1iti n LYS 6 Cb 0.57 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 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 2.59 6.96 0.18 0.00 -1.08 -1.26 -4.92 116.67 119.14 1iti s ASP 8 Ca 0.95 1.18 0.17 0.00 -0.52 0.00 0.00 52.55 54.32 1iti s ASP 8 Cb -1.07 -2.45 -0.03 0.00 -1.46 0.00 0.00 42.92 37.92 1iti s ASP 8 CO 0.61 -0.34 1.12 -0.29 0.52 0.00 0.00 175.17 176.79 1iti h ILE 9 N 5.11 0.58 -0.65 4.11 2.10 -2.02 -3.33 117.51 123.42 1iti h ILE 9 Ca -0.32 -1.96 0.03 0.00 1.08 0.00 0.00 64.86 63.69 1iti h ILE 9 Cb 1.15 2.14 -0.04 0.00 -1.09 0.00 0.00 36.82 38.97 1iti h ILE 9 CO 0.82 0.33 0.40 0.74 -1.08 0.00 0.00 178.15 179.36 1iti h THR 10 N 0.00 1.08 -0.19 2.19 2.02 -1.99 0.09 112.91 116.10 1iti h THR 10 Ca -0.08 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1iti h THR 10 Cb 1.43 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1iti h THR 10 CO 0.05 0.14 0.19 -0.07 0.37 0.00 0.00 175.52 176.20 1iti h LEU 11 N 0.78 0.00 0.02 2.58 3.38 -1.99 0.61 115.31 120.69 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 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1iti h LEU 11 CO -0.11 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.80 1iti h GLN 12 N 0.00 -0.03 -0.53 1.13 4.15 -1.16 -2.77 115.11 115.90 1iti h GLN 12 Ca 0.09 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.67 1iti h GLN 12 Cb 0.47 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1iti h GLN 12 CO -0.00 -0.02 0.57 1.05 -1.93 0.00 0.00 178.83 178.50 1iti h GLU 13 N -0.15 0.00 0.54 1.69 4.11 -1.34 -1.27 114.58 118.16 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 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1iti h GLU 13 CO 0.01 0.00 -0.26 0.82 0.07 0.00 0.00 179.01 179.65 1iti h ILE 14 N 0.00 0.16 -0.22 -1.06 2.04 -0.93 -2.37 117.51 115.12 1iti h ILE 14 Ca 0.25 -0.46 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1iti h ILE 14 Cb 1.39 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1iti h ILE 14 CO -0.00 0.03 -0.40 0.40 0.00 0.00 0.00 178.15 178.18 1iti h ILE 15 N -1.12 0.17 -1.01 -0.67 2.04 -0.94 0.19 117.51 116.17 1iti h ILE 15 Ca -0.07 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.05 1iti h ILE 15 Cb 0.60 0.17 -0.13 0.00 -0.74 0.00 0.00 36.82 36.72 1iti h ILE 15 CO 0.12 0.00 0.59 0.50 0.00 0.00 0.00 178.15 179.37 1iti h LYS 16 N -0.42 0.51 -0.00 2.37 3.64 -1.53 0.11 116.57 121.25 1iti h LYS 16 Ca 0.10 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1iti h LYS 16 Cb 0.60 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1iti h LYS 16 CO -0.45 0.33 -0.08 1.15 -2.27 0.00 0.00 179.45 178.14 1iti h THR 17 N 0.52 0.79 -0.91 1.00 2.02 -0.09 -1.24 112.91 115.00 1iti h THR 17 Ca 0.66 0.00 0.19 0.00 0.77 0.00 0.00 66.41 68.03 1iti h THR 17 Cb 1.34 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 68.46 1iti h THR 17 CO -0.50 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 175.91 1iti h LEU 18 N -0.14 0.51 -0.49 2.58 3.38 -0.24 0.80 115.31 121.71 1iti h LEU 18 Ca 0.03 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1iti h LEU 18 Cb 0.18 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1iti h LEU 18 CO -0.09 0.21 -0.02 0.78 0.09 0.00 0.00 178.44 179.42 1iti h ASN 19 N 0.51 0.86 0.12 -0.43 4.21 -0.83 -0.65 115.58 119.37 1iti h ASN 19 Ca 0.48 -0.32 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1iti h ASN 19 Cb 1.04 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.01 1iti h ASN 19 CO -0.21 0.97 -0.07 0.28 -1.29 0.00 0.00 177.43 177.12 1iti h SER 20 N 0.73 0.00 0.71 5.81 0.02 -0.13 -1.74 113.55 118.95 1iti h SER 20 Ca 0.14 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.83 1iti h SER 20 Cb 0.54 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1iti h SER 20 CO 0.03 0.07 -1.38 -0.07 -1.14 0.00 0.00 176.83 174.33 1iti h LEU 21 N 0.00 0.03 0.63 5.07 3.38 -0.86 -3.34 115.31 120.22 1iti h LEU 21 Ca -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1iti h LEU 21 Cb 0.14 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1iti h LEU 21 CO 0.01 1.04 -0.30 0.71 0.09 0.00 0.00 178.44 179.99 1iti h THR 22 N 0.01 0.33 -1.08 0.22 1.35 -0.23 -2.11 112.91 111.40 1iti h THR 22 Ca -0.16 -0.16 0.31 0.00 -0.55 0.00 0.00 66.41 65.85 1iti h THR 22 Cb 1.91 0.39 -0.04 0.00 -1.73 0.00 0.00 68.15 68.67 1iti h THR 22 CO 0.11 0.02 0.86 1.05 -0.25 0.00 0.00 175.52 177.31 1iti h GLU 23 N -0.96 0.00 -6.38 4.72 -0.00 -1.64 -3.38 114.58 106.94 1iti h GLU 23 Ca -0.09 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.73 1iti h GLU 23 Cb 0.68 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.40 1iti h GLU 23 CO 0.14 0.00 -0.04 -0.65 -0.00 0.00 0.00 179.01 178.46 1iti s GLN 24 N -4.83 4.03 -0.39 1.06 -0.21 -0.79 -5.05 119.66 113.48 1iti s GLN 24 Ca -0.05 0.56 0.04 0.00 0.02 0.00 0.00 55.36 55.94 1iti s GLN 24 Cb 0.21 -2.90 0.16 0.00 1.00 0.00 0.00 33.01 31.48 1iti s GLN 24 CO 0.73 0.45 0.45 0.15 -2.12 0.00 0.00 175.29 174.95 1iti s LYS 25 N -2.02 0.73 0.39 2.91 1.02 -1.26 -4.92 119.74 116.59 1iti s LYS 25 Ca 0.39 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.53 1iti s LYS 25 Cb -0.15 -0.56 0.08 0.00 -0.52 0.00 0.00 37.83 36.68 1iti s LYS 25 CO 0.19 -1.22 0.53 0.25 -0.92 0.00 0.00 175.35 174.19 1iti n THR 26 N 4.08 0.00 1.17 2.17 -2.24 -1.26 -4.96 114.28 113.24 1iti n THR 26 Ca 0.13 -0.79 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1iti n THR 26 Cb 0.48 -1.18 0.66 0.00 -2.10 0.00 0.00 70.33 68.19 1iti n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n LEU 27 N 0.00 0.00 0.00 3.22 -0.00 -1.26 -3.11 117.00 115.85 1iti n LEU 27 Ca 0.09 0.37 0.05 0.00 -0.00 0.00 0.00 56.01 56.51 1iti n LEU 27 Cb 0.31 -0.37 0.23 0.00 -0.00 0.00 0.00 43.42 43.59 1iti n LEU 27 CO 0.21 -0.03 0.63 0.00 -0.00 0.00 0.00 177.39 178.20 1iti h THR 29 N 0.00 1.54 0.00 0.00 1.35 -1.94 -3.16 112.91 110.70 1iti h THR 29 Ca 0.00 -3.24 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 1iti h THR 29 Cb 0.14 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1iti h THR 29 CO 0.00 0.88 0.00 -0.62 -0.25 0.00 0.00 175.52 175.53 1iti n GLU 30 N -3.30 0.07 -3.26 4.72 1.02 -0.76 -3.93 120.64 115.21 1iti n GLU 30 Ca -0.02 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 1iti n GLU 30 Cb 0.94 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.03 4.10 -0.25 -4.62 1.43 -1.20 -5.03 118.68 111.08 1iti s LEU 31 Ca 0.03 0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 53.45 1iti s LEU 31 Cb 0.02 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1iti s LEU 31 CO 0.03 -0.22 0.99 0.42 0.23 0.00 0.00 176.35 177.80 1iti s THR 32 N 1.91 4.68 0.37 5.49 -4.23 -1.26 -3.60 115.64 118.99 1iti s THR 32 Ca 0.22 1.84 0.00 0.00 -1.18 0.00 0.00 61.69 62.58 1iti s THR 32 Cb -0.15 -4.29 0.07 0.00 1.34 0.00 0.00 72.50 69.47 1iti s THR 32 CO 0.09 -0.23 0.50 1.33 -0.54 0.00 0.00 174.62 175.78 1iti n VAL 33 N 5.43 0.00 -3.23 2.29 0.24 0.23 -4.72 118.33 118.57 1iti n VAL 33 Ca 0.10 -0.83 -0.39 0.00 -2.04 0.00 0.00 64.34 61.19 1iti n VAL 33 Cb 0.47 -1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 31.69 1iti n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iti s THR 34 N -1.40 4.91 0.92 3.34 2.01 -1.26 -0.66 115.64 123.50 1iti s THR 34 Ca 0.34 1.21 -0.14 0.00 0.31 0.00 0.00 61.69 63.40 1iti s THR 34 Cb -0.02 -3.91 0.18 0.00 0.01 0.00 0.00 72.50 68.76 1iti s THR 34 CO 0.22 0.44 1.27 -0.62 -0.69 0.00 0.00 174.62 175.25 1iti s ASP 35 N -0.32 3.40 0.00 3.53 2.15 -1.26 -4.78 116.67 119.40 1iti s ASP 35 Ca 0.30 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.55 1iti s ASP 35 Cb -0.18 -0.40 0.00 0.00 -0.30 0.00 0.00 42.92 42.04 1iti s ASP 35 CO 0.17 -2.55 0.00 2.30 -0.17 0.00 0.00 175.17 174.92 1iti n ILE 36 N -3.62 0.00 0.75 4.11 -5.35 -1.26 -4.72 119.36 109.27 1iti n ILE 36 Ca 0.14 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.74 1iti n ILE 36 Cb 0.60 0.00 0.48 0.00 -1.74 0.00 0.00 39.64 38.98 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 0.16 1.83 4.28 3.72 -1.26 -2.64 117.46 122.54 1iti n PHE 37 Ca 0.00 0.05 0.15 0.00 -0.05 0.00 0.00 57.45 57.60 1iti n PHE 37 Cb 0.00 -0.58 0.87 0.00 -0.94 0.00 0.00 39.48 38.82 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 -1.55 2.59 -2.49 4.37 0.00 -1.26 -3.49 120.51 118.68 1iti n ALA 38 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1iti n ALA 38 Cb 0.28 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.00 2.85 -2.88 0.00 0.00 -1.08 -5.00 120.51 113.39 1iti n ALA 39 Ca 0.22 -1.81 -0.44 0.00 0.00 0.00 0.00 53.44 51.42 1iti n ALA 39 Cb 0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.04 6.75 0.00 0.00 0.15 -1.22 -4.87 113.70 112.47 1iti s SER 40 Ca 0.20 -2.27 0.00 0.00 0.70 0.00 0.00 55.95 54.58 1iti s SER 40 Cb 0.29 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 1iti s SER 40 CO -0.09 -1.02 0.00 0.29 1.20 0.00 0.00 173.24 173.62 1iti n LYS 41 N 6.61 0.00 -0.02 5.44 5.02 -1.26 -4.67 118.16 129.28 1iti n LYS 41 Ca 0.29 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1iti n LYS 41 Cb 0.47 -0.00 0.41 0.00 -0.02 0.00 0.00 35.03 35.89 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iti n ASP 42 N -0.01 1.91 -4.71 4.39 8.00 -1.26 -4.92 116.55 119.95 1iti n ASP 42 Ca 0.00 -1.65 -0.43 0.00 0.71 0.00 0.00 54.79 53.42 1iti n ASP 42 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1iti n THR 43 N 0.49 0.88 -2.53 -3.53 -2.24 -1.26 -4.99 114.28 101.10 1iti n THR 43 Ca 0.18 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 1iti n THR 43 Cb 0.41 -1.76 0.09 0.00 -2.10 0.00 0.00 70.33 66.97 1iti n THR 43 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1iti n THR 44 N 2.24 0.00 -0.19 4.28 -1.04 -1.26 -4.91 114.28 113.40 1iti n THR 44 Ca 0.11 -1.16 -0.00 0.00 -2.04 0.00 0.00 64.05 60.96 1iti n THR 44 Cb 0.34 -1.01 0.24 0.00 -1.82 0.00 0.00 70.33 68.08 1iti n THR 44 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iti h GLU 45 N 0.00 0.94 0.41 -2.82 5.08 -1.99 -2.11 114.58 114.09 1iti h GLU 45 Ca -0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1iti h GLU 45 Cb 0.89 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1iti h GLU 45 CO 0.26 0.67 -0.34 0.87 -1.00 0.00 0.00 179.01 179.47 1iti h LYS 46 N 0.96 -0.72 0.00 2.33 1.79 -2.00 0.47 116.57 119.39 1iti h LYS 46 Ca 0.25 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1iti h LYS 46 Cb -0.02 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1iti h LYS 46 CO -0.05 -0.48 0.00 0.39 -1.08 0.00 0.00 179.45 178.23 1iti n GLU 47 N -5.46 0.12 -0.04 3.15 4.71 -1.08 -2.22 120.64 119.83 1iti n GLU 47 Ca -0.10 0.54 -0.16 0.00 -0.01 0.00 0.00 57.16 57.43 1iti n GLU 47 Cb 0.36 -1.84 -0.13 0.00 -1.01 0.00 0.00 31.44 28.82 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 1.71 0.00 2.62 2.02 -0.26 -2.69 112.91 116.30 1iti h THR 48 Ca 0.00 -2.35 -0.04 0.00 0.77 0.00 0.00 66.41 64.79 1iti h THR 48 Cb 0.10 3.29 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 1iti h THR 48 CO 0.00 0.63 -0.20 -0.26 0.37 0.00 0.00 175.52 176.06 1iti h PHE 49 N -0.80 0.00 0.20 3.16 0.04 -0.81 -2.63 116.94 116.10 1iti h PHE 49 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1iti h PHE 49 Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1iti h PHE 49 CO 0.25 0.20 -0.10 0.00 -0.60 0.00 0.00 178.31 178.06 1iti h ARG 51 N -0.77 0.45 -0.28 0.00 3.08 -1.51 0.29 114.38 115.63 1iti h ARG 51 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1iti h ARG 51 Cb 0.21 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1iti h ARG 51 CO 0.05 0.30 0.17 0.00 -1.07 0.00 0.00 179.97 179.41 1iti h ALA 52 N 1.77 0.36 -0.60 0.04 0.00 -1.53 -2.58 119.26 116.72 1iti h ALA 52 Ca 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1iti h ALA 52 Cb 1.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1iti h ALA 52 CO -0.53 -0.14 0.38 0.00 0.00 0.00 0.00 179.25 178.96 1iti h ALA 53 N 1.06 0.77 -0.60 0.00 0.00 -0.09 -2.37 119.26 118.03 1iti h ALA 53 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1iti h ALA 53 Cb 0.01 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.47 1iti h ALA 53 CO -0.02 0.23 0.05 1.15 0.00 0.00 0.00 179.25 180.66 1iti h THR 54 N 0.82 0.56 0.88 0.00 2.02 -0.81 0.73 112.91 117.10 1iti h THR 54 Ca 0.22 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 1iti h THR 54 Cb -0.05 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1iti h THR 54 CO -0.04 0.03 -0.46 0.58 0.37 0.00 0.00 175.52 176.00 1iti h VAL 55 N 0.17 0.00 -1.18 3.16 2.07 -1.10 -1.69 116.25 117.68 1iti h VAL 55 Ca 0.31 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.17 1iti h VAL 55 Cb 0.49 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 1iti h VAL 55 CO -0.47 0.00 0.83 -0.07 0.02 0.00 0.00 177.57 177.88 1iti h LEU 56 N -1.23 0.11 0.00 2.57 3.38 -1.00 -0.55 115.31 118.59 1iti h LEU 56 Ca -0.12 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 56 Cb 0.96 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1iti h LEU 56 CO 0.17 0.01 0.00 -1.14 0.09 0.00 0.00 178.44 177.57 1iti n ARG 57 N -4.30 0.00 0.00 1.13 0.63 0.20 -2.14 116.66 112.18 1iti n ARG 57 Ca 0.27 0.49 0.01 0.00 -0.92 0.00 0.00 57.85 57.70 1iti n ARG 57 Cb 1.20 -1.44 0.07 0.00 0.45 0.00 0.00 32.46 32.73 1iti n ARG 57 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iti n GLN 58 N -1.97 0.06 0.00 -0.14 -0.00 -0.84 -1.63 117.38 112.85 1iti n GLN 58 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 1iti n GLN 58 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 30.24 28.74 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1iti n PHE 59 N -1.08 0.00 0.79 2.61 7.35 -0.27 -3.06 117.46 123.79 1iti n PHE 59 Ca 0.02 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.78 1iti n PHE 59 Cb 0.01 -0.13 0.41 0.00 0.35 0.00 0.00 39.48 40.12 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 -1.22 0.00 -0.03 -5.13 0.18 -0.95 -1.15 117.16 108.86 1iti n TYR 60 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 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 2.04 0.03 9.48 7.64 -0.65 -2.90 113.62 128.05 1iti n SER 61 Ca 0.08 0.28 0.12 0.00 1.01 0.00 0.00 58.87 60.36 1iti n SER 61 Cb 0.10 -0.89 0.17 0.00 -1.01 0.00 0.00 64.21 62.58 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 -3.81 0.28 -0.11 1.43 8.25 -1.12 -3.99 115.22 116.14 1iti n HIS 62 Ca -0.33 0.08 -0.23 0.00 -0.26 0.00 0.00 57.72 56.98 1iti n HIS 62 Cb 0.92 -0.45 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 1iti n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1iti n HIS 63 N -1.84 0.70 -0.29 4.41 8.25 -0.30 -3.47 115.22 122.68 1iti n HIS 63 Ca 0.04 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 57.92 1iti n HIS 63 Cb 0.40 -1.04 0.28 0.00 1.12 0.00 0.00 29.99 30.74 1iti n HIS 63 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1iti h GLU 64 N -1.00 0.31 0.00 -0.41 4.57 -1.71 1.23 114.58 117.57 1iti h GLU 64 Ca -0.43 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 1iti h GLU 64 Cb 1.35 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 1iti h GLU 64 CO -0.26 0.20 -0.19 0.87 -1.18 0.00 0.00 179.01 178.45 1iti h LYS 65 N 0.32 0.00 -6.78 1.92 1.57 -1.74 -3.43 116.57 108.42 1iti h LYS 65 Ca 0.53 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.83 1iti h LYS 65 Cb 1.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1iti h LYS 65 CO -0.57 0.19 0.19 0.34 -0.57 0.00 0.00 179.45 179.04 1iti s ASP 66 N -6.13 6.98 -0.40 0.86 -1.08 0.42 -4.95 116.67 112.38 1iti s ASP 66 Ca 0.01 1.50 -0.02 0.00 -0.52 0.00 0.00 52.55 53.51 1iti s ASP 66 Cb 0.10 -2.45 0.14 0.00 -1.46 0.00 0.00 42.92 39.25 1iti s ASP 66 CO 0.62 -0.15 2.41 0.35 0.52 0.00 0.00 175.17 178.93 1iti n THR 67 N 0.04 3.08 -0.08 1.71 -2.24 -1.26 -4.41 114.28 111.12 1iti n THR 67 Ca 0.02 -2.37 -0.07 0.00 -2.27 0.00 0.00 64.05 59.37 1iti n THR 67 Cb 0.52 -1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 67.26 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 0.58 0.49 -0.49 -0.78 5.12 -1.26 -4.41 116.66 115.91 1iti n ARG 68 Ca 0.41 0.34 0.03 0.00 -1.93 0.00 0.00 57.85 56.71 1iti n ARG 68 Cb 0.57 -1.53 0.22 0.00 -1.16 0.00 0.00 32.46 30.56 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 0.32 2.33 0.00 0.00 4.77 -1.26 -4.75 117.00 118.40 1iti n LEU 70 Ca 0.15 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1iti n LEU 70 Cb 0.77 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1iti n LEU 70 CO 0.18 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1iti n GLY 71 N 1.74 -0.24 0.00 -0.72 0.00 -1.26 -3.85 105.19 100.86 1iti n GLY 71 Ca -0.36 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 5.10 0.93 -0.38 4.61 0.00 -1.26 -4.99 120.51 124.52 1iti n ALA 72 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1iti n ALA 72 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.09 0.00 0.04 0.00 -1.04 -1.26 -4.88 114.28 106.05 1iti n THR 73 Ca 0.00 -0.17 0.01 0.00 -2.04 0.00 0.00 64.05 61.85 1iti n THR 73 Cb 0.00 -0.87 -0.07 0.00 -1.82 0.00 0.00 70.33 67.57 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 -3.11 0.65 0.10 2.41 0.00 -1.99 -3.24 119.26 114.07 1iti h ALA 74 Ca -0.45 -0.78 -0.26 0.00 0.00 0.00 0.00 54.91 53.42 1iti h ALA 74 Cb 1.24 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1iti h ALA 74 CO 0.31 0.85 -1.17 -0.56 0.00 0.00 0.00 179.25 178.68 1iti h GLN 75 N 0.00 0.25 0.00 0.00 3.07 -1.99 -3.16 115.11 113.28 1iti h GLN 75 Ca -0.15 -0.40 -0.11 0.00 0.09 0.00 0.00 58.65 58.08 1iti h GLN 75 Cb 1.54 0.14 -0.02 0.00 0.08 0.00 0.00 27.48 29.23 1iti h GLN 75 CO 0.04 1.17 -0.53 0.37 0.09 0.00 0.00 178.83 179.98 1iti h GLN 76 N 0.08 0.00 0.13 0.06 5.75 -1.88 -2.10 115.11 117.16 1iti h GLN 76 Ca -0.11 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1iti h GLN 76 Cb 1.89 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.44 1iti h GLN 76 CO 0.19 0.53 -0.06 0.35 -2.65 0.00 0.00 178.83 177.18 1iti h PHE 77 N 0.00 -0.17 0.35 3.99 3.57 -1.58 -2.06 116.94 121.05 1iti h PHE 77 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1iti h PHE 77 Cb 1.02 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1iti h PHE 77 CO 0.00 0.19 -0.17 1.25 -2.23 0.00 0.00 178.31 177.35 1iti h HIS 78 N -0.56 -0.44 -1.13 0.41 2.76 -1.56 -1.48 115.15 113.16 1iti h HIS 78 Ca -0.02 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.46 1iti h HIS 78 Cb 0.43 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 29.45 1iti h HIS 78 CO 0.04 -0.17 0.76 -0.09 -1.30 0.00 0.00 177.93 177.17 1iti h ARG 79 N -0.66 0.23 0.13 5.26 2.43 -1.44 0.36 114.38 120.69 1iti h ARG 79 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1iti h ARG 79 Cb 0.47 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1iti h ARG 79 CO 0.08 0.15 -0.06 1.25 -1.51 0.00 0.00 179.97 179.88 1iti h HIS 80 N 0.23 -0.16 -0.71 2.20 2.76 -0.86 -3.05 115.15 115.55 1iti h HIS 80 Ca 0.62 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.94 1iti h HIS 80 Cb 1.90 0.05 -0.10 0.00 1.55 0.00 0.00 27.41 30.81 1iti h HIS 80 CO -0.00 0.30 0.20 0.87 -1.30 0.00 0.00 177.93 178.00 1iti h LYS 81 N -0.77 0.30 -0.73 5.26 1.79 0.05 0.12 116.57 122.59 1iti h LYS 81 Ca -0.02 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.56 1iti h LYS 81 Cb 0.54 -0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.04 1iti h LYS 81 CO 0.03 0.20 0.31 0.37 -1.08 0.00 0.00 179.45 179.28 1iti h GLN 82 N 0.31 0.47 0.87 3.15 5.75 -1.19 -1.97 115.11 122.50 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 0.64 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1iti h GLN 82 CO -0.46 0.31 -0.46 1.25 -2.65 0.00 0.00 178.83 176.82 1iti h LEU 83 N 0.49 -1.12 -1.23 -2.39 6.46 -0.67 -0.70 115.31 116.14 1iti h LEU 83 Ca 0.38 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.26 1iti h LEU 83 Cb 0.52 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1iti h LEU 83 CO -0.35 -0.75 0.70 0.40 -0.62 0.00 0.00 178.44 177.81 1iti h ILE 84 N -1.23 0.06 0.07 4.05 1.08 -0.87 0.41 117.51 121.09 1iti h ILE 84 Ca -0.12 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.22 1iti h ILE 84 Cb 0.96 0.35 0.01 0.00 -3.07 0.00 0.00 36.82 35.08 1iti h ILE 84 CO 0.17 0.00 -0.56 -0.09 -0.69 0.00 0.00 178.15 176.98 1iti h ARG 85 N 0.00 0.25 -0.40 2.37 9.65 -0.42 -2.38 114.38 123.44 1iti h ARG 85 Ca 0.11 -0.36 0.06 0.00 -1.10 0.00 0.00 59.98 58.68 1iti h ARG 85 Cb 1.51 0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 30.16 1iti h ARG 85 CO -0.00 1.13 0.11 0.74 2.80 0.00 0.00 179.97 184.75 1iti h PHE 86 N -0.46 0.18 0.41 2.20 0.04 0.41 -0.68 116.94 119.04 1iti h PHE 86 Ca -0.09 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1iti h PHE 86 Cb 1.39 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.52 1iti h PHE 86 CO 0.20 0.05 -0.20 -0.07 -0.60 0.00 0.00 178.31 177.69 1iti h LEU 87 N 0.25 -0.47 -1.11 1.54 3.38 -1.58 -1.75 115.31 115.58 1iti h LEU 87 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iti h LEU 87 Cb 0.21 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1iti h LEU 87 CO -0.23 -0.16 0.27 0.11 0.09 0.00 0.00 178.44 178.52 1iti h LYS 88 N -0.78 0.00 0.00 1.13 1.57 -1.16 0.25 116.57 117.57 1iti h LYS 88 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1iti h LYS 88 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1iti h LYS 88 CO 0.09 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.84 1iti n ARG 89 N -2.20 0.00 -0.29 3.15 0.63 -0.28 -4.06 116.66 113.59 1iti n ARG 89 Ca -0.01 0.06 0.22 0.00 -0.92 0.00 0.00 57.85 57.20 1iti n ARG 89 Cb 0.29 -0.37 0.52 0.00 0.45 0.00 0.00 32.46 33.35 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 0.42 -1.44 6.15 8.10 -1.28 0.35 115.31 127.61 1iti h LEU 90 Ca 0.00 0.06 0.24 0.00 0.11 0.00 0.00 57.88 58.30 1iti h LEU 90 Cb 0.00 -0.01 -0.08 0.00 -0.44 0.00 0.00 40.66 40.13 1iti h LEU 90 CO 0.00 0.12 0.65 -0.78 -4.11 0.00 0.00 178.44 174.32 1iti h ASP 91 N 0.39 0.42 0.72 0.17 3.58 -0.71 0.26 116.42 121.26 1iti h ASP 91 Ca 0.55 0.06 -0.25 0.00 0.42 0.00 0.00 57.03 57.81 1iti h ASP 91 Cb 1.41 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.42 1iti h ASP 91 CO -0.24 0.12 -1.37 0.03 -2.88 0.00 0.00 179.24 174.91 1iti h ARG 92 N 0.39 0.02 0.09 0.28 2.47 -0.46 -3.23 114.38 113.94 1iti h ARG 92 Ca 0.55 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1iti h ARG 92 Cb 1.39 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.73 1iti h ARG 92 CO -0.24 0.78 -0.04 -0.91 0.56 0.00 0.00 179.97 180.11 1iti h ASN 93 N 0.01 -0.10 0.02 7.04 4.21 -0.13 0.29 115.58 126.91 1iti h ASN 93 Ca -0.15 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 57.26 1iti h ASN 93 Cb 1.90 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 39.11 1iti h ASN 93 CO 0.11 0.05 -0.10 -0.07 -1.29 0.00 0.00 177.43 176.12 1iti h LEU 94 N -0.25 -0.30 0.00 1.61 3.38 -1.30 0.90 115.31 119.36 1iti h LEU 94 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iti h LEU 94 Cb 0.21 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1iti h LEU 94 CO 0.02 -0.15 0.00 1.87 0.09 0.00 0.00 178.44 180.27 1iti n TRP 95 N -5.23 0.00 -0.01 1.13 -0.00 -1.16 -3.01 117.44 109.16 1iti n TRP 95 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.44 1iti n TRP 95 Cb 0.15 -0.31 -0.00 0.00 -0.00 0.00 0.00 31.31 31.15 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 2.69 0.00 1.16 5.87 0.00 0.21 -3.20 103.07 109.80 1iti h GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iti h GLY 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.01 1iti n LEU 97 N -2.65 0.00 -0.00 3.11 -0.00 -0.86 -2.91 117.00 113.69 1iti n LEU 97 Ca -0.00 0.09 -0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1iti n LEU 97 Cb 0.02 -0.09 -0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1iti n LEU 97 CO 0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 177.39 177.29 1iti h ALA 98 N 1.95 0.00 0.00 1.47 0.00 -1.63 -3.49 119.26 117.56 1iti h ALA 98 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1iti h ALA 98 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1iti h ALA 98 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1iti n GLY 99 N 1.82 0.46 3.80 0.00 0.00 -1.15 -5.03 105.19 105.09 1iti n GLY 99 Ca -0.00 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.75 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 4.47 0.00 0.99 1.43 -1.26 -5.04 118.68 119.27 1iti s LEU 100 Ca 0.00 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1iti s LEU 100 Cb 0.00 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1iti s LEU 100 CO 0.00 0.15 0.00 0.59 0.23 0.00 0.00 176.35 177.32 1iti n ASN 101 N 1.23 0.00 -4.74 2.29 5.03 -1.26 -4.93 115.26 112.87 1iti n ASN 101 Ca -0.05 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.99 1iti n ASN 101 Cb 0.50 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.23 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 -1.00 7.07 -0.44 6.41 0.01 -1.26 -4.95 113.70 119.53 1iti s SER 102 Ca 0.00 2.31 0.04 0.00 1.31 0.00 0.00 55.95 59.61 1iti s SER 102 Cb 0.00 -2.62 0.26 0.00 0.21 0.00 0.00 66.02 63.88 1iti s SER 102 CO 0.00 -0.36 1.03 0.00 0.41 0.00 0.00 173.24 174.32 1iti s PRO 104 N 0.47 2.36 -0.04 0.00 0.05 -1.26 -4.90 135.00 131.68 1iti s PRO 104 Ca 0.29 1.75 -0.15 0.00 0.05 0.00 0.00 61.00 62.93 1iti s PRO 104 Cb 0.24 -1.86 -0.05 0.00 0.05 0.00 0.00 34.50 32.87 1iti s PRO 104 CO -0.18 -1.66 0.41 0.54 0.05 0.00 0.00 177.00 176.16 1iti s VAL 105 N -1.92 5.08 0.00 -0.36 0.11 -1.26 -5.01 120.40 117.04 1iti s VAL 105 Ca 0.75 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 60.63 1iti s VAL 105 Cb -0.29 -3.73 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1iti s VAL 105 CO 0.43 0.51 0.00 1.17 -3.33 0.00 0.00 175.10 173.87 1iti n LYS 106 N 2.37 0.00 -4.02 1.54 4.81 -1.26 -5.10 118.16 116.49 1iti n LYS 106 Ca -0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.22 1iti n LYS 106 Cb 0.52 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.50 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 0.49 1.28 0.16 1.64 2.02 -1.26 -5.18 118.70 117.85 1iti s GLU 107 Ca 0.00 -1.29 -0.23 0.00 0.02 0.00 0.00 54.97 53.47 1iti s GLU 107 Cb 0.00 0.38 0.08 0.00 0.10 0.00 0.00 34.13 34.69 1iti s GLU 107 CO 0.00 -0.48 1.06 0.00 0.02 0.00 0.00 175.26 175.87 1iti s ALA 108 N -4.02 -1.68 0.00 5.21 0.00 -1.26 -4.91 121.76 115.09 1iti s ALA 108 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1iti s ALA 108 Cb 0.03 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.92 1iti s ALA 108 CO 0.05 -1.07 0.00 -0.25 0.00 0.00 0.00 175.76 174.49 1iti n ASP 109 N -1.20 0.00 -3.49 0.00 9.92 -1.26 -4.88 116.55 115.64 1iti n ASP 109 Ca -0.02 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.08 1iti n ASP 109 Cb 0.59 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.03 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 1.27 1.13 0.08 -1.24 2.00 -1.26 -4.35 119.66 117.29 1iti s GLN 110 Ca 0.00 -0.00 -0.15 0.00 -2.00 0.00 0.00 55.36 53.20 1iti s GLN 110 Cb 0.00 0.53 0.03 0.00 0.80 0.00 0.00 33.01 34.37 1iti s GLN 110 CO 0.00 -0.41 0.36 -1.54 -0.50 0.00 0.00 175.29 173.20 1iti s SER 111 N -1.74 -0.19 0.05 6.67 1.04 0.17 -4.67 113.70 115.04 1iti s SER 111 Ca -0.07 -0.25 -0.23 0.00 0.48 0.00 0.00 55.95 55.89 1iti s SER 111 Cb -0.00 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 1iti s SER 111 CO 0.02 -0.74 0.68 0.42 0.98 0.00 0.00 173.24 174.60 1iti s THR 112 N -3.22 4.73 0.58 2.02 -4.23 -1.26 0.77 115.64 115.04 1iti s THR 112 Ca -0.00 1.45 0.31 0.00 -1.18 0.00 0.00 61.69 62.27 1iti s THR 112 Cb 0.01 -4.03 0.44 0.00 1.34 0.00 0.00 72.50 70.27 1iti s THR 112 CO -0.08 0.44 1.69 0.25 -0.54 0.00 0.00 174.62 176.38 1iti h LEU 113 N 5.27 0.00 0.00 4.79 5.85 -1.68 0.23 115.31 129.77 1iti h LEU 113 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1iti h LEU 113 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iti h LEU 113 CO 0.69 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 180.00 1iti n GLU 114 N -3.69 0.00 -0.35 1.25 2.13 -1.26 -1.45 120.64 117.27 1iti n GLU 114 Ca 0.18 0.16 0.31 0.00 0.66 0.00 0.00 57.16 58.47 1iti n GLU 114 Cb 1.12 -0.83 0.65 0.00 0.27 0.00 0.00 31.44 32.65 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 0.19 -0.36 4.31 2.35 -1.88 0.45 115.58 120.64 1iti h ASN 115 Ca 0.00 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 1iti h ASN 115 Cb 0.00 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1iti h ASN 115 CO 0.00 0.01 0.02 0.15 -1.65 0.00 0.00 177.43 175.97 1iti h PHE 116 N 0.16 0.66 0.00 1.19 3.04 -0.63 -1.88 116.94 119.48 1iti h PHE 116 Ca 0.62 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 62.46 1iti h PHE 116 Cb 2.07 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.40 1iti h PHE 116 CO -0.00 0.70 0.00 1.28 -2.02 0.00 0.00 178.31 178.27 1iti n LEU 117 N -4.53 0.59 -0.06 0.59 4.77 0.15 -1.97 117.00 116.55 1iti n LEU 117 Ca -0.02 0.65 -0.04 0.00 -0.03 0.00 0.00 56.01 56.57 1iti n LEU 117 Cb 0.26 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1iti n LEU 117 CO 0.39 -0.55 -0.01 -0.08 -1.33 0.00 0.00 177.39 175.81 1iti h GLU 118 N 0.00 0.00 0.00 3.23 4.81 -0.55 -2.70 114.58 119.37 1iti h GLU 118 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1iti h GLU 118 Cb 0.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1iti h GLU 118 CO 0.00 0.23 -0.04 0.07 -0.73 0.00 0.00 179.01 178.54 1iti h ARG 119 N -1.00 0.00 0.14 1.92 0.11 -1.39 -2.31 114.38 111.85 1iti h ARG 119 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 1iti h ARG 119 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1iti h ARG 119 CO -0.01 0.04 -0.07 1.25 0.10 0.00 0.00 179.97 181.28 1iti h LEU 120 N 0.00 -0.16 -0.79 0.08 6.46 -1.50 -2.25 115.31 117.15 1iti h LEU 120 Ca -0.00 -0.03 0.17 0.00 -0.12 0.00 0.00 57.88 57.89 1iti h LEU 120 Cb 0.20 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.06 1iti h LEU 120 CO 0.00 0.33 0.30 0.50 -0.62 0.00 0.00 178.44 178.95 1iti h LYS 121 N -1.05 0.39 -0.07 1.25 3.64 -1.36 -0.49 116.57 118.88 1iti h LYS 121 Ca -0.02 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1iti h LYS 121 Cb 0.19 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1iti h LYS 121 CO 0.03 0.26 0.03 1.15 -2.27 0.00 0.00 179.45 178.65 1iti h THR 122 N 0.40 1.10 -0.87 1.00 2.02 -1.52 -2.40 112.91 112.63 1iti h THR 122 Ca 0.45 -0.28 0.21 0.00 0.77 0.00 0.00 66.41 67.57 1iti h THR 122 Cb 0.75 1.16 -0.13 0.00 -1.74 0.00 0.00 68.15 68.20 1iti h THR 122 CO -0.46 0.08 0.35 0.40 0.37 0.00 0.00 175.52 176.26 1iti h ILE 123 N -0.00 0.46 -0.02 3.11 2.04 -0.47 0.18 117.51 122.80 1iti h ILE 123 Ca 0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1iti h ILE 123 Cb 0.10 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1iti h ILE 123 CO -0.00 0.07 0.01 0.24 0.00 0.00 0.00 178.15 178.47 1iti h MET 124 N 0.36 0.03 -0.30 2.37 2.86 -0.91 -0.90 114.93 118.43 1iti h MET 124 Ca 0.54 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.27 1iti h MET 124 Cb 1.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 1iti h MET 124 CO -0.54 0.03 0.23 -0.09 1.06 0.00 0.00 176.91 177.60 1iti h ARG 125 N 0.02 0.00 -0.07 1.72 9.65 -0.31 1.44 114.38 126.82 1iti h ARG 125 Ca 0.01 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.68 1iti h ARG 125 Cb 0.01 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1iti h ARG 125 CO -0.00 0.00 -0.78 1.49 2.80 0.00 0.00 179.97 183.48 1iti h GLU 126 N 0.00 0.66 -0.00 0.20 4.81 0.12 -3.18 114.58 117.18 1iti h GLU 126 Ca 0.14 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1iti h GLU 126 Cb 0.60 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1iti h GLU 126 CO -0.00 1.22 -0.36 1.63 -0.73 0.00 0.00 179.01 180.76 1iti n LYS 127 N -4.02 0.45 0.00 1.92 5.02 -0.35 -3.89 118.16 117.30 1iti n LYS 127 Ca -0.09 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 1iti n LYS 127 Cb 0.75 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.05 0.00 -2.16 2.13 9.36 0.48 -4.73 117.16 121.19 1iti n TYR 128 Ca 0.09 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.89 1iti n TYR 128 Cb 0.34 -0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.02 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 -1.54 6.78 0.00 2.98 0.15 -1.25 -4.82 113.70 116.00 1iti s SER 129 Ca 0.00 2.09 0.00 0.00 0.70 0.00 0.00 55.95 58.74 1iti s SER 129 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1iti s SER 129 CO 0.00 -0.83 0.00 2.29 1.20 0.00 0.00 173.24 175.90 1iti n LYS 130 N 6.48 0.00 0.03 5.44 2.85 -1.26 -4.94 118.16 126.75 1iti n LYS 130 Ca 0.15 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.42 1iti n LYS 130 Cb 0.43 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.87 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 -1.39 0.00 0.00 0.00 2.88 -1.26 -5.17 113.62 108.67 1iti n SER 132 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1iti n SER 132 Cb 0.25 0.00 0.00 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