#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 1.31 -2.23 -1.84 0.00 -1.26 -5.12 120.51 111.38 1iti n ALA 2 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 1iti n ALA 2 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 1iti n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iti s GLU 3 N 0.00 4.06 -0.30 0.00 2.12 -1.26 -5.06 118.70 118.27 1iti s GLU 3 Ca 0.00 0.63 -0.04 0.00 0.36 0.00 0.00 54.97 55.93 1iti s GLU 3 Cb 0.00 -2.78 0.19 0.00 0.26 0.00 0.00 34.13 31.79 1iti s GLU 3 CO 0.00 0.37 0.76 0.00 -0.54 0.00 0.00 175.26 175.85 1iti s ALA 4 N -1.62 -2.76 -0.66 6.30 0.00 -1.26 -5.10 121.76 116.65 1iti s ALA 4 Ca 0.44 1.56 -0.24 0.00 0.00 0.00 0.00 51.96 53.72 1iti s ALA 4 Cb -0.14 -2.38 0.06 0.00 0.00 0.00 0.00 23.12 20.66 1iti s ALA 4 CO 0.20 -1.52 1.03 -3.38 0.00 0.00 0.00 175.76 172.09 1iti s HIS 5 N 2.89 2.60 -0.86 0.00 -3.43 -1.26 -4.84 115.29 110.39 1iti s HIS 5 Ca 0.14 -0.37 0.11 0.00 -0.80 0.00 0.00 55.06 54.13 1iti s HIS 5 Cb -0.12 -4.34 0.49 0.00 -1.43 0.00 0.00 32.58 27.19 1iti s HIS 5 CO -0.19 -1.71 1.35 1.63 -2.00 0.00 0.00 174.74 173.82 1iti n LYS 6 N 8.04 0.04 -1.69 -0.38 4.76 -1.26 -4.74 118.16 122.93 1iti n LYS 6 Ca -0.02 0.40 -0.57 0.00 -2.87 0.00 0.00 58.31 55.25 1iti n LYS 6 Cb 0.46 -1.59 -0.07 0.00 -1.84 0.00 0.00 35.03 31.99 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iti n ASP 8 N 4.79 2.08 0.07 0.00 2.03 -1.26 -4.87 116.55 119.39 1iti n ASP 8 Ca 0.25 1.18 0.11 0.00 0.52 0.00 0.00 54.79 56.85 1iti n ASP 8 Cb 0.13 -1.37 0.02 0.00 -0.72 0.00 0.00 41.12 39.17 1iti n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iti n ILE 9 N 0.78 0.45 -0.20 5.18 3.06 -1.26 -4.03 119.36 123.34 1iti n ILE 9 Ca 0.09 -0.45 -0.09 0.00 -2.50 0.00 0.00 62.75 59.80 1iti n ILE 9 Cb 0.32 -0.18 0.03 0.00 0.54 0.00 0.00 39.64 40.35 1iti n ILE 9 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 1iti h THR 10 N 0.00 1.27 0.00 9.51 2.02 -1.97 -2.07 112.91 121.67 1iti h THR 10 Ca 0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1iti h THR 10 Cb 0.91 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1iti h THR 10 CO 0.00 0.43 -0.07 -0.07 0.37 0.00 0.00 175.52 176.18 1iti h LEU 11 N 0.94 0.00 0.00 2.58 3.38 -1.96 -2.05 115.31 118.21 1iti h LEU 11 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1iti h LEU 11 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1iti h LEU 11 CO 0.04 0.07 -0.01 -0.61 0.09 0.00 0.00 178.44 178.02 1iti h GLN 12 N 0.00 0.00 -1.15 1.13 4.15 -1.56 -2.57 115.11 115.12 1iti h GLN 12 Ca -0.00 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.74 1iti h GLN 12 Cb 0.39 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.00 1iti h GLN 12 CO 0.01 0.00 0.77 1.05 -1.93 0.00 0.00 178.83 178.73 1iti h GLU 13 N -0.30 0.21 0.39 1.69 4.11 -1.45 -0.29 114.58 118.93 1iti h GLU 13 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1iti h GLU 13 Cb 0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1iti h GLU 13 CO 0.00 0.14 -0.19 0.82 0.07 0.00 0.00 179.01 179.85 1iti h ILE 14 N 0.21 0.46 -0.65 -1.06 2.04 -1.48 -2.23 117.51 114.82 1iti h ILE 14 Ca 0.62 -0.60 0.13 0.00 1.00 0.00 0.00 64.86 66.01 1iti h ILE 14 Cb 1.95 0.69 -0.12 0.00 -0.74 0.00 0.00 36.82 38.60 1iti h ILE 14 CO -0.21 0.09 -0.13 0.40 0.00 0.00 0.00 178.15 178.29 1iti h ILE 15 N -0.94 0.37 -0.62 -0.67 2.04 -0.64 0.64 117.51 117.69 1iti h ILE 15 Ca -0.05 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1iti h ILE 15 Cb 0.55 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1iti h ILE 15 CO 0.09 0.00 0.41 0.11 0.00 0.00 0.00 178.15 178.76 1iti h LYS 16 N 0.02 0.63 -0.10 2.37 1.57 -1.35 -2.07 116.57 117.64 1iti h LYS 16 Ca 0.32 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1iti h LYS 16 Cb 0.49 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1iti h LYS 16 CO -0.65 0.42 0.01 1.15 -0.57 0.00 0.00 179.45 179.81 1iti h THR 17 N 0.65 1.23 -0.96 -0.16 2.02 0.86 -2.56 112.91 114.00 1iti h THR 17 Ca 0.26 -0.73 0.16 0.00 0.77 0.00 0.00 66.41 66.88 1iti h THR 17 Cb 0.20 1.53 -0.10 0.00 -1.74 0.00 0.00 68.15 68.04 1iti h THR 17 CO -0.08 0.21 0.56 -0.07 0.37 0.00 0.00 175.52 176.51 1iti h LEU 18 N -0.08 0.74 -0.63 2.58 3.38 -0.48 0.71 115.31 121.53 1iti h LEU 18 Ca 0.03 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 18 Cb 0.31 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1iti h LEU 18 CO 0.00 0.30 0.29 0.78 0.09 0.00 0.00 178.44 179.90 1iti h ASN 19 N 0.77 0.83 -0.68 -0.43 4.21 -1.22 0.15 115.58 119.21 1iti h ASN 19 Ca 0.53 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.86 1iti h ASN 19 Cb 0.75 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.70 1iti h ASN 19 CO -0.35 0.74 0.27 0.28 -1.29 0.00 0.00 177.43 177.08 1iti h SER 20 N 0.87 0.94 -0.21 5.81 0.02 -0.52 -2.74 113.55 117.71 1iti h SER 20 Ca 0.21 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1iti h SER 20 Cb 0.14 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1iti h SER 20 CO -0.02 0.86 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.33 1iti h LEU 21 N 0.97 0.48 -0.50 5.07 3.38 -0.75 -2.90 115.31 121.06 1iti h LEU 21 Ca 0.23 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.87 1iti h LEU 21 Cb 0.21 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 1iti h LEU 21 CO -0.02 0.80 -0.28 0.71 0.09 0.00 0.00 178.44 179.74 1iti h THR 22 N 0.16 0.26 -0.83 0.22 1.35 -0.52 0.40 112.91 113.95 1iti h THR 22 Ca 0.04 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.99 1iti h THR 22 Cb 0.63 0.26 -0.06 0.00 -1.73 0.00 0.00 68.15 67.25 1iti h THR 22 CO 0.04 0.00 0.54 -0.33 -0.25 0.00 0.00 175.52 175.52 1iti h GLU 23 N -0.16 0.80 -6.27 4.72 5.08 -1.46 -3.38 114.58 113.90 1iti h GLU 23 Ca 0.22 -0.05 -0.57 0.00 -1.00 0.00 0.00 59.36 57.96 1iti h GLU 23 Cb 0.51 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1iti h GLU 23 CO -0.59 0.53 0.97 -0.65 -1.00 0.00 0.00 179.01 178.27 1iti s GLN 24 N -5.75 4.01 -0.38 2.33 -0.21 0.14 -4.96 119.66 114.84 1iti s GLN 24 Ca -0.10 1.45 0.01 0.00 0.02 0.00 0.00 55.36 56.74 1iti s GLN 24 Cb 0.20 -3.86 0.14 0.00 1.00 0.00 0.00 33.01 30.48 1iti s GLN 24 CO 0.79 -1.00 0.22 0.15 -2.12 0.00 0.00 175.29 173.32 1iti s LYS 25 N 4.01 0.82 0.00 2.91 1.02 -1.26 -4.90 119.74 122.35 1iti s LYS 25 Ca 0.58 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1iti s LYS 25 Cb -0.20 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1iti s LYS 25 CO 0.21 -1.18 0.00 0.25 -0.92 0.00 0.00 175.35 173.71 1iti n THR 26 N 3.91 0.00 1.14 2.17 -2.24 -1.26 -4.95 114.28 113.05 1iti n THR 26 Ca 0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1iti n THR 26 Cb 0.36 -0.35 0.35 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.80 -0.45 3.22 -0.00 -1.26 -3.70 117.00 116.62 1iti n LEU 27 Ca 0.00 -0.76 0.13 0.00 -0.00 0.00 0.00 56.01 55.38 1iti n LEU 27 Cb 0.00 -0.12 0.51 0.00 -0.00 0.00 0.00 43.42 43.81 1iti n LEU 27 CO 0.00 0.38 0.86 0.00 -0.00 0.00 0.00 177.39 178.63 1iti n THR 29 N 0.09 0.00 0.44 0.00 -2.24 -1.24 -3.50 114.28 107.83 1iti n THR 29 Ca 0.18 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 1iti n THR 29 Cb 0.32 0.03 0.29 0.00 -2.10 0.00 0.00 70.33 68.87 1iti n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 30 N 0.05 0.00 0.00 -0.78 4.39 -1.85 -3.37 114.58 113.03 1iti h GLU 30 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1iti h GLU 30 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1iti h GLU 30 CO 0.00 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.13 1iti n LEU 31 N -2.65 0.00 -3.63 1.33 4.77 -1.23 -4.97 117.00 110.63 1iti n LEU 31 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.87 1iti n LEU 31 Cb 0.48 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1iti n LEU 31 CO 0.32 -1.41 -0.20 0.42 -1.33 0.00 0.00 177.39 175.19 1iti s THR 32 N -0.99 -0.32 0.68 -5.08 -4.23 -1.26 -4.25 115.64 100.19 1iti s THR 32 Ca 0.00 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1iti s THR 32 Cb 0.00 -0.42 0.11 0.00 1.34 0.00 0.00 72.50 73.53 1iti s THR 32 CO 0.00 0.06 0.94 0.68 -0.54 0.00 0.00 174.62 175.76 1iti s VAL 33 N 2.34 2.18 -0.09 2.29 -7.23 0.28 -4.86 120.40 115.32 1iti s VAL 33 Ca 0.03 -0.68 -0.17 0.00 -1.81 0.00 0.00 61.98 59.36 1iti s VAL 33 Cb -0.13 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1iti s VAL 33 CO -0.08 0.00 0.43 -0.89 -0.31 0.00 0.00 175.10 174.25 1iti s THR 34 N -3.02 5.15 -0.12 5.32 2.01 -1.26 -1.80 115.64 121.91 1iti s THR 34 Ca 0.65 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 63.23 1iti s THR 34 Cb -0.06 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 1iti s THR 34 CO 0.43 0.41 0.96 -0.62 -0.69 0.00 0.00 174.62 175.12 1iti s ASP 35 N 0.08 7.17 0.06 3.53 2.15 -1.26 -4.83 116.67 123.57 1iti s ASP 35 Ca 0.24 1.44 0.23 0.00 0.43 0.00 0.00 52.55 54.89 1iti s ASP 35 Cb -0.15 -2.53 0.19 0.00 -0.30 0.00 0.00 42.92 40.13 1iti s ASP 35 CO 0.10 -0.44 1.16 2.30 -0.17 0.00 0.00 175.17 178.13 1iti n ILE 36 N 4.61 0.18 1.31 4.11 -5.35 -1.26 -3.75 119.36 119.21 1iti n ILE 36 Ca 0.08 -0.20 0.13 0.00 -0.27 0.00 0.00 62.75 62.49 1iti n ILE 36 Cb 0.49 0.16 0.38 0.00 -1.74 0.00 0.00 39.64 38.92 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 -1.91 0.00 1.69 4.28 3.72 -1.26 -3.90 117.46 120.08 1iti n PHE 37 Ca 0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.49 1iti n PHE 37 Cb 0.42 -0.03 0.33 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.14 2.41 -2.69 4.37 0.00 -1.25 -3.62 120.51 119.88 1iti n ALA 38 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.48 1iti n ALA 38 Cb 0.40 -1.18 0.12 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.71 1.96 -2.98 0.00 0.00 -1.25 -4.74 120.51 112.79 1iti n ALA 39 Ca 0.08 -1.18 -0.44 0.00 0.00 0.00 0.00 53.44 51.90 1iti n ALA 39 Cb 0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.19 7.02 -0.02 0.00 0.15 -1.24 -4.83 113.70 113.59 1iti s SER 40 Ca 0.16 -2.89 -0.15 0.00 0.70 0.00 0.00 55.95 53.77 1iti s SER 40 Cb 0.42 -2.38 -0.08 0.00 -1.71 0.00 0.00 66.02 62.27 1iti s SER 40 CO -0.11 -0.76 0.72 0.11 1.20 0.00 0.00 173.24 174.41 1iti h LYS 41 N 7.38 -0.52 0.00 5.44 1.57 -1.95 -3.42 116.57 125.06 1iti h LYS 41 Ca 0.28 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.02 1iti h LYS 41 Cb 0.90 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.21 1iti h LYS 41 CO 1.20 -0.35 -0.45 -0.25 -0.57 0.00 0.00 179.45 179.03 1iti n ASP 42 N -4.54 0.02 -4.76 0.86 8.00 -1.26 -5.11 116.55 109.76 1iti n ASP 42 Ca -0.07 -1.73 -0.39 0.00 0.71 0.00 0.00 54.79 53.31 1iti n ASP 42 Cb 0.21 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1iti s THR 43 N 0.00 2.02 0.52 -3.53 -4.23 -1.26 -4.98 115.64 104.17 1iti s THR 43 Ca 0.08 0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 60.54 1iti s THR 43 Cb 0.09 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1iti s THR 43 CO -0.04 0.00 0.85 -0.89 -0.54 0.00 0.00 174.62 174.00 1iti s THR 44 N -1.24 4.85 0.40 3.99 2.01 -1.26 -4.89 115.64 119.50 1iti s THR 44 Ca 0.66 0.38 0.19 0.00 0.31 0.00 0.00 61.69 63.24 1iti s THR 44 Cb -0.43 -3.86 0.40 0.00 0.01 0.00 0.00 72.50 68.62 1iti s THR 44 CO 0.53 -0.93 1.77 -0.33 -0.69 0.00 0.00 174.62 174.97 1iti h GLU 45 N 0.07 0.36 0.35 4.92 5.08 -1.99 -0.21 114.58 123.16 1iti h GLU 45 Ca -0.46 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1iti h GLU 45 Cb 1.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1iti h GLU 45 CO 0.62 0.24 -0.32 0.87 -1.00 0.00 0.00 179.01 179.41 1iti h LYS 46 N 0.37 -0.66 0.00 2.33 1.57 -1.98 0.55 116.57 118.75 1iti h LYS 46 Ca 0.60 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1iti h LYS 46 Cb 1.57 0.15 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1iti h LYS 46 CO -0.29 -0.44 0.00 0.39 -0.57 0.00 0.00 179.45 178.53 1iti n GLU 47 N -5.44 0.16 -0.01 3.15 1.02 -0.18 -2.27 120.64 117.08 1iti n GLU 47 Ca -0.10 0.55 -0.17 0.00 -0.02 0.00 0.00 57.16 57.42 1iti n GLU 47 Cb 0.34 -1.92 -0.13 0.00 -0.02 0.00 0.00 31.44 29.71 1iti n GLU 47 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1iti h THR 48 N 0.00 1.61 0.00 2.62 2.02 -0.02 -2.69 112.91 116.45 1iti h THR 48 Ca 0.00 -2.33 -0.06 0.00 0.77 0.00 0.00 66.41 64.78 1iti h THR 48 Cb 0.15 3.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1iti h THR 48 CO 0.00 0.64 -0.31 -0.26 0.37 0.00 0.00 175.52 175.96 1iti h PHE 49 N -0.59 0.00 0.25 3.16 0.04 -0.77 -2.37 116.94 116.66 1iti h PHE 49 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1iti h PHE 49 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1iti h PHE 49 CO 0.22 0.31 -0.12 0.00 -0.60 0.00 0.00 178.31 178.11 1iti h ARG 51 N -0.71 0.34 -0.48 0.00 3.08 -1.52 0.30 114.38 115.39 1iti h ARG 51 Ca -0.03 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1iti h ARG 51 Cb 0.26 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1iti h ARG 51 CO 0.06 0.22 0.23 0.00 -1.07 0.00 0.00 179.97 179.41 1iti h ALA 52 N 1.71 0.60 -0.54 0.04 0.00 -1.47 -2.00 119.26 117.60 1iti h ALA 52 Ca 0.54 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.41 1iti h ALA 52 Cb 1.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1iti h ALA 52 CO -0.55 -0.13 0.08 0.00 0.00 0.00 0.00 179.25 178.65 1iti h ALA 53 N 1.27 0.72 -0.88 0.00 0.00 -0.02 -2.53 119.26 117.82 1iti h ALA 53 Ca 0.21 -0.25 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1iti h ALA 53 Cb 0.14 -0.20 -0.12 0.00 0.00 0.00 0.00 17.79 17.61 1iti h ALA 53 CO -0.16 0.47 0.40 1.15 0.00 0.00 0.00 179.25 181.11 1iti h THR 54 N 0.79 0.54 0.30 0.00 2.02 -0.22 0.45 112.91 116.80 1iti h THR 54 Ca 0.16 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1iti h THR 54 Cb 0.42 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1iti h THR 54 CO 0.01 0.08 -0.15 0.58 0.37 0.00 0.00 175.52 176.42 1iti h VAL 55 N 0.46 0.00 -1.09 3.16 2.07 -1.14 -2.74 116.25 116.97 1iti h VAL 55 Ca 0.53 -0.28 0.32 0.00 0.82 0.00 0.00 66.70 68.09 1iti h VAL 55 Cb 0.95 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1iti h VAL 55 CO -0.48 0.00 0.87 -0.07 0.02 0.00 0.00 177.57 177.91 1iti h LEU 56 N -0.68 0.00 0.43 2.57 3.38 -1.07 -0.63 115.31 119.31 1iti h LEU 56 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1iti h LEU 56 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1iti h LEU 56 CO 0.07 0.00 -0.21 -0.09 0.09 0.00 0.00 178.44 178.30 1iti h ARG 57 N 0.00 -0.56 0.00 1.13 2.43 0.02 -2.50 114.38 114.90 1iti h ARG 57 Ca 0.52 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1iti h ARG 57 Cb 2.26 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.94 1iti h ARG 57 CO -0.01 -0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.08 1iti n GLN 58 N -3.98 0.13 0.00 0.20 10.64 -0.45 -1.51 117.38 122.41 1iti n GLN 58 Ca -0.07 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1iti n GLN 58 Cb 0.23 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 1iti n GLN 58 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1iti n PHE 59 N -1.15 0.00 1.58 2.61 7.35 -0.37 -3.13 117.46 124.35 1iti n PHE 59 Ca 0.04 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.86 1iti n PHE 59 Cb 0.03 -0.40 0.78 0.00 0.35 0.00 0.00 39.48 40.24 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 -2.09 0.00 -0.04 -5.13 0.18 -1.02 -1.93 117.16 107.14 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 2.07 -0.09 9.48 7.64 -0.57 -3.81 113.62 127.24 1iti n SER 61 Ca 0.18 0.17 -0.15 0.00 1.01 0.00 0.00 58.87 60.08 1iti n SER 61 Cb 0.14 -0.79 -0.07 0.00 -1.01 0.00 0.00 64.21 62.48 1iti n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1iti n HIS 62 N -3.55 0.96 -0.19 1.43 8.25 -1.18 -4.20 115.22 116.74 1iti n HIS 62 Ca -0.35 0.42 -0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1iti n HIS 62 Cb 1.00 -0.96 0.09 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.05 -1.02 4.41 3.86 -1.56 0.48 115.15 120.26 1iti h HIS 63 Ca -0.21 0.04 0.30 0.00 -1.16 0.00 0.00 60.37 59.34 1iti h HIS 63 Cb 0.98 0.11 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 1iti h HIS 63 CO -0.04 -0.15 0.90 1.49 0.86 0.00 0.00 177.93 180.99 1iti h GLU 64 N 0.11 0.00 0.00 2.45 4.22 -1.71 1.33 114.58 120.97 1iti h GLU 64 Ca 0.30 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.58 1iti h GLU 64 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1iti h GLU 64 CO -0.50 0.00 -1.27 0.87 -2.18 0.00 0.00 179.01 175.93 1iti h LYS 65 N 0.00 0.00 -6.56 1.92 1.79 -0.22 -3.46 116.57 110.04 1iti h LYS 65 Ca 0.49 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.44 1iti h LYS 65 Cb 2.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.91 1iti h LYS 65 CO -0.01 0.35 0.38 0.34 -1.08 0.00 0.00 179.45 179.43 1iti s ASP 66 N -5.93 7.46 0.00 0.86 -1.08 0.46 -4.90 116.67 113.54 1iti s ASP 66 Ca -0.02 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.83 1iti s ASP 66 Cb 0.08 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1iti s ASP 66 CO 0.80 -0.10 1.42 0.35 0.52 0.00 0.00 175.17 178.16 1iti n THR 67 N 2.83 1.42 -0.11 1.71 -2.24 -1.26 -3.86 114.28 112.76 1iti n THR 67 Ca 0.03 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.31 1iti n THR 67 Cb 0.49 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.37 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iti n ARG 68 N 1.28 0.55 -0.54 -0.78 5.12 -1.26 -4.36 116.66 116.67 1iti n ARG 68 Ca 0.00 0.38 0.05 0.00 -1.93 0.00 0.00 57.85 56.35 1iti n ARG 68 Cb 0.42 -1.58 0.26 0.00 -1.16 0.00 0.00 32.46 30.40 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 0.51 2.03 0.00 0.00 4.77 -1.26 -4.90 117.00 118.15 1iti n LEU 70 Ca 0.18 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1iti n LEU 70 Cb 0.81 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1iti n LEU 70 CO 0.20 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1iti n GLY 71 N 1.90 -0.70 0.00 -0.72 0.00 -1.26 -4.14 105.19 100.27 1iti n GLY 71 Ca -0.30 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 2.64 0.96 -0.58 4.61 0.00 -1.26 -4.97 120.51 121.91 1iti n ALA 72 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1iti n ALA 72 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1iti n ALA 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -1.01 0.00 0.78 0.00 -2.24 -1.26 -4.84 114.28 105.70 1iti n THR 73 Ca 0.00 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1iti n THR 73 Cb 0.00 -0.72 0.19 0.00 -2.10 0.00 0.00 70.33 67.70 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n ALA 74 N -4.69 3.30 -0.00 6.98 0.00 -1.26 -3.12 120.51 121.71 1iti n ALA 74 Ca 0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 1iti n ALA 74 Cb 0.58 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 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 0.00 0.14 0.00 0.00 -0.00 -2.00 -3.32 115.11 109.93 1iti h GLN 75 Ca 0.00 -0.24 -0.17 0.00 -0.00 0.00 0.00 58.65 58.24 1iti h GLN 75 Cb 0.62 0.09 -0.02 0.00 -0.00 0.00 0.00 27.48 28.17 1iti h GLN 75 CO 0.00 0.87 -0.83 0.37 -0.00 0.00 0.00 178.83 179.24 1iti h GLN 76 N 0.04 0.00 -0.16 0.06 4.15 -1.91 -2.60 115.11 114.68 1iti h GLN 76 Ca -0.34 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 1iti h GLN 76 Cb 2.02 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.71 1iti h GLN 76 CO 0.09 0.83 0.08 0.35 -1.93 0.00 0.00 178.83 178.25 1iti h PHE 77 N 0.00 0.24 0.21 3.99 3.57 -1.69 -0.64 116.94 122.62 1iti h PHE 77 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1iti h PHE 77 Cb 1.63 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.30 1iti h PHE 77 CO 0.00 0.28 -0.10 1.25 -2.23 0.00 0.00 178.31 177.50 1iti h HIS 78 N 0.13 -0.27 -1.10 0.41 2.76 -1.66 -2.70 115.15 112.72 1iti h HIS 78 Ca 0.06 -0.01 0.32 0.00 -2.20 0.00 0.00 60.37 58.54 1iti h HIS 78 Cb 0.13 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 1iti h HIS 78 CO -0.02 0.12 0.82 -0.09 -1.30 0.00 0.00 177.93 177.45 1iti h ARG 79 N -0.89 0.00 0.07 5.26 2.43 -1.49 0.53 114.38 120.29 1iti h ARG 79 Ca -0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1iti h ARG 79 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1iti h ARG 79 CO 0.05 0.00 -0.04 1.25 -1.51 0.00 0.00 179.97 179.72 1iti h HIS 80 N 0.00 -0.09 -0.73 2.20 2.76 -1.00 -2.98 115.15 115.31 1iti h HIS 80 Ca 0.52 -0.00 0.15 0.00 -2.20 0.00 0.00 60.37 58.84 1iti h HIS 80 Cb 2.15 0.03 -0.11 0.00 1.55 0.00 0.00 27.41 31.04 1iti h HIS 80 CO 0.00 0.44 0.18 0.87 -1.30 0.00 0.00 177.93 178.13 1iti h LYS 81 N -0.72 0.27 -0.23 5.26 1.79 -0.58 -0.09 116.57 122.28 1iti h LYS 81 Ca -0.01 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.49 1iti h LYS 81 Cb 0.58 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.12 1iti h LYS 81 CO 0.02 0.18 -0.08 1.96 -1.08 0.00 0.00 179.45 180.45 1iti h GLN 82 N 0.28 -0.04 -0.07 3.15 4.20 -1.44 -1.55 115.11 119.65 1iti h GLN 82 Ca 0.41 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.15 1iti h GLN 82 Cb 0.68 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 1iti h GLN 82 CO -0.49 -0.03 -0.53 1.25 -0.67 0.00 0.00 178.83 178.36 1iti h LEU 83 N -0.04 -1.65 -1.49 1.46 6.46 -0.86 0.29 115.31 119.48 1iti h LEU 83 Ca 0.12 0.19 0.26 0.00 -0.12 0.00 0.00 57.88 58.33 1iti h LEU 83 Cb 0.21 0.64 -0.08 0.00 -0.73 0.00 0.00 40.66 40.70 1iti h LEU 83 CO -0.26 -0.50 0.67 0.40 -0.62 0.00 0.00 178.44 178.13 1iti h ILE 84 N -0.62 0.55 -0.12 4.05 1.08 -1.06 0.83 117.51 122.23 1iti h ILE 84 Ca 0.03 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 1iti h ILE 84 Cb 0.70 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1iti h ILE 84 CO -0.40 0.06 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.00 1iti h ARG 85 N 0.34 0.24 -0.01 2.37 9.65 0.49 -0.12 114.38 127.34 1iti h ARG 85 Ca 0.55 -0.10 0.03 0.00 -1.10 0.00 0.00 59.98 59.36 1iti h ARG 85 Cb 1.50 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.03 1iti h ARG 85 CO -0.23 0.55 -0.17 0.74 2.80 0.00 0.00 179.97 183.66 1iti h PHE 86 N -0.08 -0.45 0.25 2.20 0.04 0.14 -1.10 116.94 117.94 1iti h PHE 86 Ca 0.03 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1iti h PHE 86 Cb 0.46 0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.82 1iti h PHE 86 CO 0.06 -0.25 -0.12 -0.07 -0.60 0.00 0.00 178.31 177.33 1iti h LEU 87 N -0.28 -0.28 -1.79 1.54 3.38 -1.32 -0.75 115.31 115.82 1iti h LEU 87 Ca 0.06 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 87 Cb 0.35 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1iti h LEU 87 CO -0.17 -0.19 0.44 0.11 0.09 0.00 0.00 178.44 178.72 1iti h LYS 88 N -0.35 0.00 0.00 1.13 1.57 -0.70 0.53 116.57 118.76 1iti h LYS 88 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 88 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1iti h LYS 88 CO 0.06 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.81 1iti n ARG 89 N -3.04 0.00 0.32 3.15 0.63 -0.33 -3.59 116.66 113.80 1iti n ARG 89 Ca 0.01 0.39 0.19 0.00 -0.92 0.00 0.00 57.85 57.52 1iti n ARG 89 Cb 0.52 -0.89 1.02 0.00 0.45 0.00 0.00 32.46 33.55 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 0.00 -0.73 6.15 8.10 -1.18 -0.89 115.31 126.76 1iti h LEU 90 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1iti h LEU 90 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.19 1iti h LEU 90 CO 0.00 0.00 0.32 -0.78 -4.11 0.00 0.00 178.44 173.87 1iti h ASP 91 N 0.00 0.98 0.91 0.17 3.58 -0.05 -1.60 116.42 120.41 1iti h ASP 91 Ca 0.00 -0.15 -0.22 0.00 0.42 0.00 0.00 57.03 57.07 1iti h ASP 91 Cb 0.24 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1iti h ASP 91 CO 0.00 0.86 -1.13 0.03 -2.88 0.00 0.00 179.24 176.12 1iti h ARG 92 N 1.03 0.00 -0.37 0.28 2.47 -1.23 -3.18 114.38 113.39 1iti h ARG 92 Ca 0.25 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.91 1iti h ARG 92 Cb 0.17 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1iti h ARG 92 CO -0.03 0.87 -0.00 -0.91 0.56 0.00 0.00 179.97 180.47 1iti h ASN 93 N 0.00 0.54 -0.02 7.04 -0.26 -1.16 0.67 115.58 122.38 1iti h ASN 93 Ca -0.07 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.55 1iti h ASN 93 Cb 1.80 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 1iti h ASN 93 CO 0.12 0.61 -0.04 -0.07 -1.06 0.00 0.00 177.43 176.99 1iti h LEU 94 N 0.55 0.07 0.00 1.61 3.38 -1.35 -2.86 115.31 116.71 1iti h LEU 94 Ca 0.12 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1iti h LEU 94 Cb 0.36 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1iti h LEU 94 CO 0.01 0.62 0.00 1.87 0.09 0.00 0.00 178.44 181.03 1iti n TRP 95 N -4.76 0.00 0.00 1.13 -0.00 -1.13 -3.31 117.44 109.37 1iti n TRP 95 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.42 1iti n TRP 95 Cb 0.31 -0.35 -0.00 0.00 -0.00 0.00 0.00 31.31 31.27 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 3.06 -0.00 1.13 5.87 0.00 -0.62 -3.19 103.07 109.31 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 -2.04 0.00 0.02 3.11 -0.00 -1.21 -2.62 117.00 114.27 1iti n LEU 97 Ca -0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 56.01 56.06 1iti n LEU 97 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 43.42 43.34 1iti n LEU 97 CO 0.00 -0.07 0.06 0.00 -0.00 0.00 0.00 177.39 177.39 1iti h ALA 98 N 1.98 -0.15 -0.33 1.47 0.00 -1.54 -3.47 119.26 117.22 1iti h ALA 98 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1iti h ALA 98 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1iti h ALA 98 CO 0.00 -0.14 -0.13 0.41 0.00 0.00 0.00 179.25 179.39 1iti n GLY 99 N 1.42 0.80 3.76 0.00 0.00 -1.08 -4.96 105.19 105.14 1iti n GLY 99 Ca -0.02 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.58 4.51 -0.10 0.99 1.43 -1.26 -4.99 118.68 117.68 1iti s LEU 100 Ca 0.00 1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 54.53 1iti s LEU 100 Cb 0.00 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1iti s LEU 100 CO 0.00 0.12 -0.14 0.59 0.23 0.00 0.00 176.35 177.15 1iti n ASN 101 N 2.23 1.18 -4.73 2.29 5.03 -1.26 -4.89 115.26 115.11 1iti n ASN 101 Ca -0.04 0.43 -0.40 0.00 0.87 0.00 0.00 54.58 55.44 1iti n ASN 101 Cb 0.50 -0.72 -0.05 0.00 -1.02 0.00 0.00 39.78 38.49 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 -5.00 7.07 -0.44 6.41 0.01 -1.26 -4.96 113.70 115.52 1iti s SER 102 Ca -0.12 1.28 0.04 0.00 1.31 0.00 0.00 55.95 58.46 1iti s SER 102 Cb 0.02 -2.43 0.26 0.00 0.21 0.00 0.00 66.02 64.08 1iti s SER 102 CO 0.17 -0.08 1.03 0.00 0.41 0.00 0.00 173.24 174.78 1iti s PRO 104 N 0.47 1.18 0.66 0.00 0.05 -1.26 -4.93 135.00 131.17 1iti s PRO 104 Ca 0.29 1.36 0.01 0.00 0.05 0.00 0.00 61.00 62.71 1iti s PRO 104 Cb 0.23 -1.76 0.10 0.00 0.05 0.00 0.00 34.50 33.12 1iti s PRO 104 CO -0.18 -2.45 0.91 0.54 0.05 0.00 0.00 177.00 175.87 1iti s VAL 105 N -2.71 2.27 0.00 -0.36 0.11 -1.26 -4.99 120.40 113.46 1iti s VAL 105 Ca 0.65 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1iti s VAL 105 Cb -0.21 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1iti s VAL 105 CO 0.58 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.52 1iti n LYS 106 N -2.64 0.00 -4.07 1.54 4.81 -1.26 -5.19 118.16 111.36 1iti n LYS 106 Ca 0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.47 1iti n LYS 106 Cb 0.60 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.58 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 3.76 1.35 0.00 1.64 2.02 -1.26 -5.17 118.70 121.04 1iti s GLU 107 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1iti s GLU 107 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1iti s GLU 107 CO 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 175.26 174.77 1iti n ALA 108 N -0.31 0.00 -1.00 5.21 0.00 -1.26 -4.83 120.51 118.32 1iti n ALA 108 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 108 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.03 0.00 -3.90 0.00 9.92 -1.26 -4.88 116.55 116.46 1iti n ASP 109 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1iti n ASP 109 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 1.32 -0.19 -1.24 0.74 -1.26 -4.03 119.66 115.00 1iti s GLN 110 Ca 0.00 -1.09 -0.28 0.00 0.05 0.00 0.00 55.36 54.04 1iti s GLN 110 Cb 0.00 0.44 0.08 0.00 1.10 0.00 0.00 33.01 34.64 1iti s GLN 110 CO 0.00 -0.53 0.78 -1.54 -0.55 0.00 0.00 175.29 173.46 1iti s SER 111 N -2.95 -0.63 0.50 6.67 1.04 -0.75 -4.62 113.70 112.96 1iti s SER 111 Ca 0.16 1.01 -0.20 0.00 0.48 0.00 0.00 55.95 57.40 1iti s SER 111 Cb 0.01 0.95 -0.08 0.00 0.10 0.00 0.00 66.02 67.00 1iti s SER 111 CO 0.01 -0.36 1.05 0.42 0.98 0.00 0.00 173.24 175.34 1iti s THR 112 N -0.32 3.68 0.56 2.02 -4.23 -1.26 -0.55 115.64 115.54 1iti s THR 112 Ca -0.03 1.04 0.30 0.00 -1.18 0.00 0.00 61.69 61.82 1iti s THR 112 Cb -0.03 -3.42 0.43 0.00 1.34 0.00 0.00 72.50 70.82 1iti s THR 112 CO 0.03 -0.23 1.88 0.25 -0.54 0.00 0.00 174.62 176.01 1iti h LEU 113 N 1.47 0.00 0.00 4.79 5.85 -1.74 0.23 115.31 125.91 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 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1iti h LEU 113 CO 0.59 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.90 1iti n GLU 114 N -3.97 0.00 -0.32 1.25 2.13 -1.26 -2.23 120.64 116.24 1iti n GLU 114 Ca 0.13 0.37 0.16 0.00 0.66 0.00 0.00 57.16 58.48 1iti n GLU 114 Cb 0.82 -1.01 0.35 0.00 0.27 0.00 0.00 31.44 31.88 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 0.43 -0.52 4.31 -0.26 -1.88 0.34 115.58 118.00 1iti h ASN 115 Ca 0.00 0.16 0.07 0.00 -0.56 0.00 0.00 56.30 55.97 1iti h ASN 115 Cb 0.00 0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 37.32 1iti h ASN 115 CO 0.00 -0.00 0.20 0.15 -1.06 0.00 0.00 177.43 176.72 1iti h PHE 116 N 0.43 0.36 0.00 1.19 3.04 -0.65 0.16 116.94 121.46 1iti h PHE 116 Ca 0.61 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.56 1iti h PHE 116 Cb 1.20 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.62 1iti h PHE 116 CO -0.09 0.13 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.15 1iti h LEU 117 N 0.39 0.00 0.25 0.59 3.38 0.09 -1.39 115.31 118.62 1iti h LEU 117 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1iti h LEU 117 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1iti h LEU 117 CO -0.24 0.10 -0.12 -0.08 0.09 0.00 0.00 178.44 178.19 1iti h GLU 118 N 0.00 -0.33 -0.62 1.13 4.57 0.71 -0.45 114.58 119.59 1iti h GLU 118 Ca -0.00 0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1iti h GLU 118 Cb 0.56 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1iti h GLU 118 CO 0.01 -0.01 0.15 0.07 -1.18 0.00 0.00 179.01 178.05 1iti h ARG 119 N -0.97 0.98 0.74 1.92 0.11 -1.21 -1.30 114.38 114.65 1iti h ARG 119 Ca -0.03 -0.22 -0.04 0.00 0.10 0.00 0.00 59.98 59.79 1iti h ARG 119 Cb 0.47 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.41 1iti h ARG 119 CO 0.06 0.87 -0.36 1.25 0.10 0.00 0.00 179.97 181.89 1iti h LEU 120 N 0.93 -0.84 -0.71 0.08 6.46 -1.32 0.76 115.31 120.67 1iti h LEU 120 Ca 0.20 0.02 0.15 0.00 -0.12 0.00 0.00 57.88 58.13 1iti h LEU 120 Cb 0.33 0.22 -0.10 0.00 -0.73 0.00 0.00 40.66 40.37 1iti h LEU 120 CO -0.00 -0.47 0.18 0.50 -0.62 0.00 0.00 178.44 178.02 1iti h LYS 121 N -1.24 0.27 0.19 1.25 3.64 -1.04 0.09 116.57 119.73 1iti h LYS 121 Ca -0.10 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1iti h LYS 121 Cb 0.77 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1iti h LYS 121 CO 0.17 0.18 -0.09 1.15 -2.27 0.00 0.00 179.45 178.59 1iti h THR 122 N 0.28 0.84 -0.98 1.00 2.02 -1.15 -2.04 112.91 112.89 1iti h THR 122 Ca 0.40 -0.12 0.16 0.00 0.77 0.00 0.00 66.41 67.62 1iti h THR 122 Cb 0.65 0.91 -0.10 0.00 -1.74 0.00 0.00 68.15 67.88 1iti h THR 122 CO -0.48 0.03 0.59 0.40 0.37 0.00 0.00 175.52 176.42 1iti h ILE 123 N -0.31 0.77 -0.31 3.11 2.04 0.46 -0.17 117.51 123.10 1iti h ILE 123 Ca -0.03 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1iti h ILE 123 Cb 0.24 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1iti h ILE 123 CO 0.04 0.15 0.18 0.24 0.00 0.00 0.00 178.15 178.76 1iti h MET 124 N 0.80 0.42 0.00 2.37 2.86 -0.53 -1.32 114.93 119.53 1iti h MET 124 Ca 0.54 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.13 1iti h MET 124 Cb 0.75 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1iti h MET 124 CO -0.35 0.32 -0.07 -0.09 1.06 0.00 0.00 176.91 177.78 1iti h ARG 125 N 0.39 0.00 0.56 1.72 9.65 -0.38 0.16 114.38 126.48 1iti h ARG 125 Ca 0.11 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 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 -0.02 0.07 -0.27 1.49 2.80 0.00 0.00 179.97 184.04 1iti h GLU 126 N 0.00 -0.72 0.00 0.20 4.81 -0.09 -3.10 114.58 115.68 1iti h GLU 126 Ca -0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1iti h GLU 126 Cb 0.17 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1iti h GLU 126 CO 0.01 -0.43 -0.26 0.87 -0.73 0.00 0.00 179.01 178.47 1iti h LYS 127 N -1.10 0.00 0.00 1.92 1.57 -1.28 -1.82 116.57 115.85 1iti h LYS 127 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1iti h LYS 127 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1iti h LYS 127 CO 0.13 0.26 0.00 0.98 -0.57 0.00 0.00 179.45 180.24 1iti n TYR 128 N -3.90 0.00 0.72 -1.35 9.36 0.03 -3.26 117.16 118.76 1iti n TYR 128 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1iti n TYR 128 Cb 0.34 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.05 1iti n TYR 128 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1iti n SER 129 N -0.76 1.03 0.00 2.98 3.41 -0.69 -3.92 113.62 115.68 1iti n SER 129 Ca 0.05 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 1iti n SER 129 Cb 0.02 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 1iti n SER 129 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1iti n LYS 130 N 0.25 0.00 -0.09 4.33 2.85 -1.20 -4.45 118.16 119.84 1iti n LYS 130 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1iti n LYS 130 Cb 0.22 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.63 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 0.15 0.00 0.00 0.00 3.41 -1.25 -5.11 113.62 110.82 1iti n SER 132 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1iti n SER 132 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64