#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 3.03 0.00 -1.84 0.00 -1.26 -5.02 121.76 116.67 1iti s ALA 2 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1iti s ALA 2 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1iti s ALA 2 CO 0.00 -1.92 0.00 -0.85 0.00 0.00 0.00 175.76 172.99 1iti n GLU 3 N -3.27 4.94 0.12 0.00 0.28 -1.26 -4.81 120.64 116.64 1iti n GLU 3 Ca 0.15 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.34 1iti n GLU 3 Cb 0.60 -0.48 0.76 0.00 1.43 0.00 0.00 31.44 33.75 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1iti h ALA 4 N 0.00 2.09 -2.85 -1.84 0.00 -2.04 -3.39 119.26 111.23 1iti h ALA 4 Ca 0.00 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 1iti h ALA 4 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1iti h ALA 4 CO 0.00 -0.47 -0.08 -1.01 0.00 0.00 0.00 179.25 177.69 1iti s HIS 5 N -4.76 3.54 -2.15 0.00 3.76 -1.26 -4.94 115.29 109.47 1iti s HIS 5 Ca -0.05 0.99 0.17 0.00 -0.15 0.00 0.00 55.06 56.03 1iti s HIS 5 Cb 0.17 -2.62 0.52 0.00 1.11 0.00 0.00 32.58 31.76 1iti s HIS 5 CO 0.61 0.16 1.41 1.17 -0.85 0.00 0.00 174.74 177.24 1iti n LYS 6 N 3.65 1.97 -1.64 1.40 0.00 -1.26 -4.94 118.16 117.34 1iti n LYS 6 Ca -0.06 -1.48 -0.55 0.00 0.00 0.00 0.00 58.31 56.22 1iti n LYS 6 Cb 0.52 -1.38 -0.07 0.00 0.00 0.00 0.00 35.03 34.10 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iti s ASP 8 N 1.77 7.29 0.11 0.00 -1.08 -1.26 -4.95 116.67 118.55 1iti s ASP 8 Ca 0.91 1.54 0.22 0.00 -0.52 0.00 0.00 52.55 54.69 1iti s ASP 8 Cb -1.04 -2.48 -0.11 0.00 -1.46 0.00 0.00 42.92 37.83 1iti s ASP 8 CO 0.56 0.12 0.84 0.00 0.52 0.00 0.00 175.17 177.22 1iti n ILE 9 N 2.15 0.53 -0.00 4.11 3.06 -1.26 -4.03 119.36 123.92 1iti n ILE 9 Ca -0.04 -0.56 0.01 0.00 -2.50 0.00 0.00 62.75 59.66 1iti n ILE 9 Cb 0.49 -0.29 0.33 0.00 0.54 0.00 0.00 39.64 40.71 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 1.17 0.00 9.51 2.02 -2.00 -0.69 112.91 122.93 1iti h THR 10 Ca -0.03 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1iti h THR 10 Cb 1.09 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1iti h THR 10 CO 0.01 0.23 0.00 -0.07 0.37 0.00 0.00 175.52 176.05 1iti h LEU 11 N 0.53 0.00 0.02 2.58 3.38 -2.00 -1.95 115.31 117.88 1iti h LEU 11 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1iti h LEU 11 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1iti h LEU 11 CO -0.00 0.00 -0.01 -0.61 0.09 0.00 0.00 178.44 177.91 1iti h GLN 12 N 0.00 -0.03 0.00 1.13 4.15 -1.32 -2.76 115.11 116.28 1iti h GLN 12 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1iti h GLN 12 Cb 0.51 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1iti h GLN 12 CO 0.00 0.16 -0.03 1.05 -1.93 0.00 0.00 178.83 178.08 1iti h GLU 13 N -1.00 0.00 0.34 1.69 -0.00 -1.50 -2.73 114.58 111.37 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1iti h GLU 13 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.96 1iti h GLU 13 CO 0.01 0.03 -0.16 0.82 -0.00 0.00 0.00 179.01 179.70 1iti h ILE 14 N 0.00 0.19 -0.74 -1.06 2.04 -1.42 -2.19 117.51 114.33 1iti h ILE 14 Ca -0.00 -0.73 0.17 0.00 1.00 0.00 0.00 64.86 65.30 1iti h ILE 14 Cb 0.10 0.32 -0.12 0.00 -0.74 0.00 0.00 36.82 36.37 1iti h ILE 14 CO 0.00 0.05 0.07 0.40 0.00 0.00 0.00 178.15 178.67 1iti h ILE 15 N -1.07 0.40 -0.84 -0.67 2.04 -1.28 0.34 117.51 116.43 1iti h ILE 15 Ca -0.05 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1iti h ILE 15 Cb 0.43 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1iti h ILE 15 CO 0.08 0.03 0.56 0.11 0.00 0.00 0.00 178.15 178.92 1iti h LYS 16 N 0.16 1.10 -0.28 2.37 1.57 -1.54 -2.41 116.57 117.53 1iti h LYS 16 Ca 0.41 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.16 1iti h LYS 16 Cb 0.73 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1iti h LYS 16 CO -0.60 0.73 0.07 1.15 -0.57 0.00 0.00 179.45 180.22 1iti h THR 17 N 1.13 0.89 -0.36 -0.16 2.02 0.30 -2.23 112.91 114.51 1iti h THR 17 Ca 0.31 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.50 1iti h THR 17 Cb -0.13 0.69 -0.07 0.00 -1.74 0.00 0.00 68.15 66.90 1iti h THR 17 CO -0.07 0.03 -0.08 -0.07 0.37 0.00 0.00 175.52 175.71 1iti h LEU 18 N 0.18 -0.30 -1.02 2.58 3.38 -0.82 0.18 115.31 119.49 1iti h LEU 18 Ca 0.13 0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.39 1iti h LEU 18 Cb 0.12 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 1iti h LEU 18 CO -0.16 -0.11 0.61 0.78 0.09 0.00 0.00 178.44 179.66 1iti h ASN 19 N 0.01 0.78 -0.52 -0.43 -0.26 -1.07 0.76 115.58 114.85 1iti h ASN 19 Ca 0.17 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 1iti h ASN 19 Cb 0.26 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.45 1iti h ASN 19 CO -0.36 0.27 0.30 0.28 -1.06 0.00 0.00 177.43 176.86 1iti h SER 20 N 0.76 0.64 -0.50 5.81 0.02 -0.55 -2.54 113.55 117.19 1iti h SER 20 Ca 0.58 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.49 1iti h SER 20 Cb 0.91 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1iti h SER 20 CO -0.38 0.53 0.26 -0.07 -1.14 0.00 0.00 176.83 176.03 1iti h LEU 21 N 0.70 0.38 -0.51 5.07 3.38 -0.36 -2.09 115.31 121.87 1iti h LEU 21 Ca 0.19 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1iti h LEU 21 Cb 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 1iti h LEU 21 CO -0.03 0.26 0.12 0.71 0.09 0.00 0.00 178.44 179.59 1iti h THR 22 N 0.51 0.73 -0.96 0.22 1.35 -1.00 0.20 112.91 113.96 1iti h THR 22 Ca 0.22 -0.09 0.28 0.00 -0.55 0.00 0.00 66.41 66.27 1iti h THR 22 Cb 0.12 0.45 -0.04 0.00 -1.73 0.00 0.00 68.15 66.95 1iti h THR 22 CO -0.15 0.05 0.70 -0.33 -0.25 0.00 0.00 175.52 175.53 1iti h GLU 23 N 0.26 0.00 -6.30 4.72 4.39 -1.04 -3.39 114.58 113.22 1iti h GLU 23 Ca 0.26 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.40 1iti h GLU 23 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1iti h GLU 23 CO -0.32 0.00 -0.22 -0.65 -1.16 0.00 0.00 179.01 176.67 1iti s GLN 24 N -4.96 3.70 -0.11 2.33 -0.21 0.70 -5.09 119.66 116.03 1iti s GLN 24 Ca -0.05 0.08 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 1iti s GLN 24 Cb 0.22 -2.75 0.04 0.00 1.00 0.00 0.00 33.01 31.51 1iti s GLN 24 CO 0.77 0.39 0.28 0.15 -2.12 0.00 0.00 175.29 174.77 1iti s LYS 25 N -2.76 0.30 0.23 2.91 1.02 -1.26 -4.94 119.74 115.23 1iti s LYS 25 Ca 0.44 0.46 -0.07 0.00 0.02 0.00 0.00 55.97 56.82 1iti s LYS 25 Cb -0.12 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1iti s LYS 25 CO 0.23 -0.09 0.32 0.95 -0.92 0.00 0.00 175.35 175.85 1iti s THR 26 N 0.58 0.00 -1.41 2.17 -4.23 -1.26 -5.00 115.64 106.49 1iti s THR 26 Ca -0.04 -1.68 0.13 0.00 -1.18 0.00 0.00 61.69 58.92 1iti s THR 26 Cb -0.05 -2.34 0.21 0.00 1.34 0.00 0.00 72.50 71.66 1iti s THR 26 CO -0.03 0.00 1.32 0.00 -0.54 0.00 0.00 174.62 175.37 1iti n LEU 27 N -0.33 0.00 0.00 4.79 -0.00 -1.26 -2.35 117.00 117.84 1iti n LEU 27 Ca 0.00 0.30 0.05 0.00 -0.00 0.00 0.00 56.01 56.35 1iti n LEU 27 Cb 0.64 -0.30 0.21 0.00 -0.00 0.00 0.00 43.42 43.97 1iti n LEU 27 CO 0.27 -0.17 0.64 0.00 -0.00 0.00 0.00 177.39 178.13 1iti h THR 29 N 0.00 1.36 -0.57 0.00 1.35 -1.90 -3.19 112.91 109.97 1iti h THR 29 Ca 0.00 -2.75 0.16 0.00 -0.55 0.00 0.00 66.41 63.28 1iti h THR 29 Cb 0.15 2.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.44 1iti h THR 29 CO 0.00 0.82 0.76 -0.08 -0.25 0.00 0.00 175.52 176.76 1iti h GLU 30 N 0.16 0.00 0.00 4.72 4.57 -1.67 -3.37 114.58 118.99 1iti h GLU 30 Ca -0.19 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1iti h GLU 30 Cb 2.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.60 1iti h GLU 30 CO 0.24 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.35 1iti n LEU 31 N -3.36 0.00 -3.70 1.64 4.77 -1.21 -5.00 117.00 110.14 1iti n LEU 31 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1iti n LEU 31 Cb 0.96 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.91 1iti n LEU 31 CO 0.22 -1.39 -0.13 0.42 -1.33 0.00 0.00 177.39 175.18 1iti s THR 32 N -1.00 -0.19 0.51 -5.08 -4.23 -1.26 -4.40 115.64 99.99 1iti s THR 32 Ca 0.00 0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1iti s THR 32 Cb 0.00 -0.40 0.02 0.00 1.34 0.00 0.00 72.50 73.46 1iti s THR 32 CO 0.00 0.09 0.73 0.68 -0.54 0.00 0.00 174.62 175.58 1iti s VAL 33 N 1.74 3.16 -0.51 2.29 -7.23 0.99 -4.89 120.40 115.96 1iti s VAL 33 Ca -0.05 -0.62 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 1iti s VAL 33 Cb -0.11 -3.17 0.03 0.00 0.56 0.00 0.00 36.38 33.69 1iti s VAL 33 CO -0.08 -0.12 0.99 -0.89 -0.31 0.00 0.00 175.10 174.69 1iti s THR 34 N -2.67 4.35 1.06 5.32 2.01 -1.26 -2.16 115.64 122.28 1iti s THR 34 Ca 0.54 0.66 -0.21 0.00 0.31 0.00 0.00 61.69 62.99 1iti s THR 34 Cb -0.10 -4.53 0.01 0.00 0.01 0.00 0.00 72.50 67.89 1iti s THR 34 CO 0.38 -1.02 -0.48 -0.67 -0.69 0.00 0.00 174.62 172.14 1iti n ASP 35 N 7.52 -2.63 0.00 3.53 2.03 -1.26 -4.89 116.55 120.84 1iti n ASP 35 Ca 0.06 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1iti n ASP 35 Cb 0.48 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1iti n ASP 35 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1iti n ILE 36 N -4.11 0.00 0.79 5.18 -5.35 -1.26 -4.71 119.36 109.90 1iti n ILE 36 Ca 0.00 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 1iti n ILE 36 Cb 0.63 0.00 0.48 0.00 -1.74 0.00 0.00 39.64 39.00 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 -0.95 0.00 -0.06 4.28 3.72 -1.26 -2.82 117.46 120.37 1iti n PHE 37 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1iti n PHE 37 Cb 0.00 -0.48 0.16 0.00 -0.94 0.00 0.00 39.48 38.23 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 -1.48 3.60 -0.55 4.37 0.00 -1.26 -3.80 120.51 121.39 1iti n ALA 38 Ca 0.06 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1iti n ALA 38 Cb 0.25 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.04 0.00 -1.68 0.00 0.00 -1.13 -4.65 120.51 113.09 1iti n ALA 39 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1iti n ALA 39 Cb 0.90 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.34 1iti n ALA 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1iti n SER 40 N 0.00 2.49 0.00 0.00 3.41 -1.21 -4.84 113.62 113.47 1iti n SER 40 Ca 0.00 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1iti n SER 40 Cb 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 1iti n SER 40 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1iti n LYS 41 N 0.60 0.00 -0.33 4.33 5.02 -1.26 -4.95 118.16 121.57 1iti n LYS 41 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1iti n LYS 41 Cb 0.35 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1iti n LYS 41 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1iti n ASP 42 N -1.47 0.00 -4.79 4.39 -0.08 -1.26 -5.10 116.55 108.24 1iti n ASP 42 Ca 0.00 -1.37 -0.39 0.00 -1.51 0.00 0.00 54.79 51.52 1iti n ASP 42 Cb 0.00 -0.07 -0.06 0.00 2.34 0.00 0.00 41.12 43.33 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1iti s THR 43 N 0.00 4.49 0.00 5.18 -4.23 -1.26 -5.07 115.64 114.75 1iti s THR 43 Ca 0.00 1.51 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1iti s THR 43 Cb 0.00 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.81 1iti s THR 43 CO 0.00 0.48 0.00 0.35 -0.54 0.00 0.00 174.62 174.91 1iti n THR 44 N 1.48 0.00 -0.04 3.99 -2.24 -1.26 -4.90 114.28 111.31 1iti n THR 44 Ca -0.06 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 1iti n THR 44 Cb 0.50 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.59 1iti n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 45 N 0.00 0.71 -0.20 -0.78 1.02 -1.26 -3.65 120.64 116.48 1iti n GLU 45 Ca 0.00 0.28 -0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1iti n GLU 45 Cb 0.00 -1.67 0.11 0.00 -0.02 0.00 0.00 31.44 29.86 1iti n GLU 45 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iti h LYS 46 N -0.13 0.42 0.00 3.49 1.57 -1.95 0.32 116.57 120.28 1iti h LYS 46 Ca -0.46 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1iti h LYS 46 Cb 1.90 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 34.11 1iti h LYS 46 CO -0.01 0.28 -0.04 0.93 -0.57 0.00 0.00 179.45 180.04 1iti h GLU 47 N 0.43 0.00 0.14 3.15 5.08 -1.94 -2.45 114.58 118.99 1iti h GLU 47 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1iti h GLU 47 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1iti h GLU 47 CO -0.29 0.04 -0.07 1.15 -1.00 0.00 0.00 179.01 178.84 1iti h THR 48 N 0.00 0.51 -0.29 1.13 2.02 -0.50 -2.78 112.91 113.00 1iti h THR 48 Ca -0.00 -1.14 0.08 0.00 0.77 0.00 0.00 66.41 66.12 1iti h THR 48 Cb 0.44 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1iti h THR 48 CO 0.00 0.15 0.21 -0.26 0.37 0.00 0.00 175.52 176.00 1iti h PHE 49 N -0.99 0.03 0.63 3.16 0.04 -1.19 -2.30 116.94 116.31 1iti h PHE 49 Ca -0.02 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1iti h PHE 49 Cb 0.39 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.54 1iti h PHE 49 CO 0.06 0.01 -0.30 0.00 -0.60 0.00 0.00 178.31 177.49 1iti h ARG 51 N -1.14 0.33 -0.04 0.00 3.08 -1.16 0.71 114.38 116.16 1iti h ARG 51 Ca -0.09 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1iti h ARG 51 Cb 0.68 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1iti h ARG 51 CO 0.14 0.22 -0.03 0.00 -1.07 0.00 0.00 179.97 179.23 1iti h ALA 52 N 1.63 1.87 0.06 0.04 0.00 -1.35 -2.64 119.26 118.87 1iti h ALA 52 Ca 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1iti h ALA 52 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1iti h ALA 52 CO -0.49 0.10 -0.03 0.00 0.00 0.00 0.00 179.25 178.83 1iti h ALA 53 N 1.91 -0.07 -0.96 0.00 0.00 0.12 -2.37 119.26 117.90 1iti h ALA 53 Ca 0.01 -0.30 0.25 0.00 0.00 0.00 0.00 54.91 54.87 1iti h ALA 53 Cb 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.79 1iti h ALA 53 CO 0.00 -0.19 0.50 1.15 0.00 0.00 0.00 179.25 180.71 1iti h THR 54 N -0.77 0.46 0.35 0.00 2.02 -0.87 0.36 112.91 114.45 1iti h THR 54 Ca -0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1iti h THR 54 Cb 0.63 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1iti h THR 54 CO 0.01 0.08 -0.17 0.58 0.37 0.00 0.00 175.52 176.40 1iti h VAL 55 N 0.45 0.00 -1.27 3.16 2.07 -1.48 -2.73 116.25 116.45 1iti h VAL 55 Ca 0.63 -0.25 0.37 0.00 0.82 0.00 0.00 66.70 68.27 1iti h VAL 55 Cb 1.24 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1iti h VAL 55 CO -0.53 0.00 0.91 -0.07 0.02 0.00 0.00 177.57 177.90 1iti h LEU 56 N -0.71 0.00 0.78 2.57 3.38 -0.84 -0.21 115.31 120.27 1iti h LEU 56 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 56 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1iti h LEU 56 CO 0.08 0.00 -0.38 -0.09 0.09 0.00 0.00 178.44 178.14 1iti h ARG 57 N 0.00 -1.01 0.00 1.13 2.43 -0.16 -2.17 114.38 114.60 1iti h ARG 57 Ca 0.60 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 1iti h ARG 57 Cb 2.42 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 32.20 1iti h ARG 57 CO -0.01 -0.68 0.00 0.00 -1.51 0.00 0.00 179.97 177.78 1iti n GLN 58 N -5.22 0.32 -0.01 0.20 10.64 -0.24 -1.73 117.38 121.34 1iti n GLN 58 Ca -0.13 0.06 -0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1iti n GLN 58 Cb 0.41 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.29 1iti n GLN 58 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 1iti h PHE 59 N 0.00 0.00 0.00 2.61 3.57 -0.52 -3.08 116.94 119.52 1iti h PHE 59 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1iti h PHE 59 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1iti h PHE 59 CO 0.00 0.00 0.00 2.48 -2.23 0.00 0.00 178.31 178.56 1iti n TYR 60 N -2.34 0.00 0.05 0.41 0.18 -1.01 -1.20 117.16 113.26 1iti n TYR 60 Ca -0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1iti n TYR 60 Cb 0.01 -0.46 -0.14 0.00 -0.38 0.00 0.00 39.34 38.36 1iti n TYR 60 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1iti h SER 61 N 0.00 0.47 0.42 9.48 0.02 -1.50 -2.85 113.55 119.59 1iti h SER 61 Ca 0.00 -0.78 -0.31 0.00 -0.84 0.00 0.00 61.79 59.86 1iti h SER 61 Cb 0.36 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1iti h SER 61 CO 0.00 1.67 -1.76 1.41 -1.14 0.00 0.00 176.83 177.01 1iti n HIS 62 N -3.49 1.08 -0.01 3.45 8.25 -1.16 -4.21 115.22 119.13 1iti n HIS 62 Ca -0.24 0.35 -0.17 0.00 -0.26 0.00 0.00 57.72 57.40 1iti n HIS 62 Cb 1.06 -1.18 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 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 0.02 0.60 -0.53 4.41 3.86 -1.33 -2.76 115.15 119.42 1iti h HIS 63 Ca -0.31 -0.30 0.15 0.00 -1.16 0.00 0.00 60.37 58.75 1iti h HIS 63 Cb 2.02 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 30.39 1iti h HIS 63 CO 0.02 1.10 0.75 1.49 0.86 0.00 0.00 177.93 182.15 1iti h GLU 64 N -0.07 0.00 0.09 2.45 4.81 -1.67 0.37 114.58 120.55 1iti h GLU 64 Ca -0.06 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.82 1iti h GLU 64 Cb 1.22 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1iti h GLU 64 CO 0.11 0.00 -2.04 1.63 -0.73 0.00 0.00 179.01 177.98 1iti n LYS 65 N -3.32 0.72 -2.10 1.92 4.01 -1.16 -4.90 118.16 113.34 1iti n LYS 65 Ca 0.11 0.24 -0.39 0.00 -0.51 0.00 0.00 58.31 57.76 1iti n LYS 65 Cb 0.94 -1.69 -0.00 0.00 -0.51 0.00 0.00 35.03 33.76 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 -6.78 6.18 -0.43 4.39 -1.08 0.13 -4.90 116.67 114.19 1iti s ASP 66 Ca -0.21 2.55 -0.03 0.00 -0.52 0.00 0.00 52.55 54.34 1iti s ASP 66 Cb 0.07 -2.63 0.16 0.00 -1.46 0.00 0.00 42.92 39.06 1iti s ASP 66 CO 0.76 -0.93 2.41 0.35 0.52 0.00 0.00 175.17 178.27 1iti n THR 67 N -0.15 3.15 -0.09 1.71 -2.24 -1.26 -4.42 114.28 110.97 1iti n THR 67 Ca 0.05 -2.52 -0.09 0.00 -2.27 0.00 0.00 64.05 59.22 1iti n THR 67 Cb 0.45 -1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1iti n ARG 68 N 0.49 0.50 -0.32 -0.78 5.12 -1.26 -4.36 116.66 116.05 1iti n ARG 68 Ca 0.43 0.37 0.03 0.00 -1.93 0.00 0.00 57.85 56.75 1iti n ARG 68 Cb 0.56 -1.56 0.16 0.00 -1.16 0.00 0.00 32.46 30.45 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 0.29 2.40 0.00 0.00 4.77 -1.26 -4.81 117.00 118.38 1iti n LEU 70 Ca 0.11 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1iti n LEU 70 Cb 0.55 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1iti n LEU 70 CO 0.12 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1iti n GLY 71 N 1.79 -1.11 0.00 -0.72 0.00 -1.25 -4.07 105.19 99.83 1iti n GLY 71 Ca -0.37 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 1.53 0.16 -1.98 4.61 0.00 -1.26 -4.98 120.51 118.59 1iti n ALA 72 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 1iti n ALA 72 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1iti n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iti s THR 73 N -0.00 2.16 -0.12 0.00 2.01 -1.26 -5.01 115.64 113.42 1iti s THR 73 Ca 0.00 -0.49 0.17 0.00 0.31 0.00 0.00 61.69 61.68 1iti s THR 73 Cb 0.00 -2.67 -0.13 0.00 0.01 0.00 0.00 72.50 69.71 1iti s THR 73 CO 0.00 0.00 0.85 0.00 -0.69 0.00 0.00 174.62 174.78 1iti h ALA 74 N -0.66 0.65 0.00 7.40 0.00 -1.98 -3.18 119.26 121.50 1iti h ALA 74 Ca -0.38 -0.83 -0.18 0.00 0.00 0.00 0.00 54.91 53.52 1iti h ALA 74 Cb 1.27 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1iti h ALA 74 CO 0.42 0.90 -0.84 -0.56 0.00 0.00 0.00 179.25 179.17 1iti h GLN 75 N 0.00 0.05 0.00 0.00 3.07 -1.98 -3.15 115.11 113.10 1iti h GLN 75 Ca -0.16 -0.06 -0.18 0.00 0.09 0.00 0.00 58.65 58.34 1iti h GLN 75 Cb 1.58 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 29.13 1iti h GLN 75 CO 0.05 0.86 -0.88 0.37 0.09 0.00 0.00 178.83 179.32 1iti h GLN 76 N 0.03 0.00 -0.23 0.06 -0.00 -1.87 -2.40 115.11 110.70 1iti h GLN 76 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1iti h GLN 76 Cb 1.48 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.95 1iti h GLN 76 CO 0.11 0.88 0.08 0.35 0.00 0.00 0.00 178.83 180.25 1iti h PHE 77 N 0.00 0.36 0.19 3.99 3.57 -1.52 -1.51 116.94 122.02 1iti h PHE 77 Ca -0.01 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1iti h PHE 77 Cb 1.66 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.30 1iti h PHE 77 CO 0.00 0.41 -0.09 1.25 -2.23 0.00 0.00 178.31 177.65 1iti h HIS 78 N 0.21 -0.24 -0.53 0.41 2.76 -1.62 -1.74 115.15 114.40 1iti h HIS 78 Ca 0.07 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.39 1iti h HIS 78 Cb 0.22 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1iti h HIS 78 CO -0.00 0.14 0.71 -0.09 -1.30 0.00 0.00 177.93 177.39 1iti h ARG 79 N -0.93 0.00 0.00 5.26 2.43 -1.48 -0.72 114.38 118.95 1iti h ARG 79 Ca -0.03 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1iti h ARG 79 Cb 0.49 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1iti h ARG 79 CO 0.04 0.00 -0.40 1.25 -1.51 0.00 0.00 179.97 179.35 1iti h HIS 80 N 0.00 0.00 -0.95 2.20 2.76 -1.16 -3.15 115.15 114.85 1iti h HIS 80 Ca 0.25 0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.67 1iti h HIS 80 Cb 1.67 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 30.50 1iti h HIS 80 CO 0.00 0.53 0.47 0.87 -1.30 0.00 0.00 177.93 178.50 1iti h LYS 81 N -1.00 0.40 -0.18 5.26 1.79 -0.24 0.20 116.57 122.80 1iti h LYS 81 Ca -0.07 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1iti h LYS 81 Cb 0.63 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1iti h LYS 81 CO -0.04 0.27 0.08 0.37 -1.08 0.00 0.00 179.45 179.04 1iti h GLN 82 N 0.42 0.26 0.27 3.15 4.15 -1.40 -1.52 115.11 120.43 1iti h GLN 82 Ca 0.62 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 60.00 1iti h GLN 82 Cb 1.24 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 1iti h GLN 82 CO -0.54 0.31 -0.52 1.25 -1.93 0.00 0.00 178.83 177.40 1iti h LEU 83 N 0.15 -1.53 -0.70 -2.39 6.46 -0.60 0.97 115.31 117.68 1iti h LEU 83 Ca 0.06 0.15 0.14 0.00 -0.12 0.00 0.00 57.88 58.11 1iti h LEU 83 Cb 0.14 0.54 -0.10 0.00 -0.73 0.00 0.00 40.66 40.51 1iti h LEU 83 CO -0.01 -0.60 0.17 0.40 -0.62 0.00 0.00 178.44 177.78 1iti h ILE 84 N -0.86 0.56 0.20 4.05 1.08 -1.30 -0.53 117.51 120.71 1iti h ILE 84 Ca -0.03 -0.10 0.01 0.00 -0.39 0.00 0.00 64.86 64.35 1iti h ILE 84 Cb 0.81 0.26 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1iti h ILE 84 CO -0.20 0.05 -0.26 -0.09 -0.69 0.00 0.00 178.15 176.96 1iti h ARG 85 N 0.28 -0.50 -0.49 2.37 9.65 -0.31 0.44 114.38 125.83 1iti h ARG 85 Ca 0.38 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.39 1iti h ARG 85 Cb 0.63 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.24 1iti h ARG 85 CO -0.47 -0.33 0.02 0.74 2.80 0.00 0.00 179.97 182.72 1iti h PHE 86 N -0.52 0.00 -0.22 2.20 0.04 0.36 0.13 116.94 118.93 1iti h PHE 86 Ca 0.01 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 1iti h PHE 86 Cb 0.50 0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1iti h PHE 86 CO -0.20 -0.09 -0.11 -0.07 -0.60 0.00 0.00 178.31 177.24 1iti h LEU 87 N 0.13 0.34 -0.27 1.54 3.38 -0.62 -0.98 115.31 118.85 1iti h LEU 87 Ca 0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1iti h LEU 87 Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1iti h LEU 87 CO -0.39 0.50 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1iti n LYS 88 N -4.25 0.12 -0.03 1.13 5.02 0.15 -1.63 118.16 118.67 1iti n LYS 88 Ca 0.00 0.27 -0.02 0.00 -2.02 0.00 0.00 58.31 56.55 1iti n LYS 88 Cb 0.29 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 1iti n LYS 88 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1iti n ARG 89 N -1.92 0.19 0.06 1.97 0.63 -0.21 -4.13 116.66 113.26 1iti n ARG 89 Ca 0.04 0.37 0.09 0.00 -0.92 0.00 0.00 57.85 57.42 1iti n ARG 89 Cb 0.26 -1.15 0.54 0.00 0.45 0.00 0.00 32.46 32.56 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 -0.42 0.25 -1.36 6.15 8.10 -1.57 -1.15 115.31 125.31 1iti h LEU 90 Ca 0.00 -0.00 0.21 0.00 0.11 0.00 0.00 57.88 58.20 1iti h LEU 90 Cb 0.21 -0.06 -0.08 0.00 -0.44 0.00 0.00 40.66 40.29 1iti h LEU 90 CO 0.00 0.17 0.62 -0.78 -4.11 0.00 0.00 178.44 174.34 1iti h ASP 91 N 0.29 0.51 0.56 0.17 1.82 -1.50 0.56 116.42 118.83 1iti h ASP 91 Ca 0.14 0.06 -0.29 0.00 -0.39 0.00 0.00 57.03 56.56 1iti h ASP 91 Cb 0.19 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 1iti h ASP 91 CO -0.03 0.19 -1.47 0.03 -1.61 0.00 0.00 179.24 176.35 1iti h ARG 92 N 0.50 0.15 0.46 0.28 -0.00 -1.38 -3.27 114.38 111.13 1iti h ARG 92 Ca 0.52 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.98 59.72 1iti h ARG 92 Cb 1.15 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 31.21 1iti h ARG 92 CO -0.24 0.98 -0.29 -0.91 0.00 0.00 0.00 179.97 179.50 1iti h ASN 93 N 0.04 -0.74 0.08 7.04 2.35 -0.57 0.20 115.58 123.97 1iti h ASN 93 Ca -0.21 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1iti h ASN 93 Cb 1.97 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 40.55 1iti h ASN 93 CO 0.14 -0.46 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.21 1iti h LEU 94 N -0.72 -0.52 0.00 1.61 3.38 -1.35 0.31 115.31 118.01 1iti h LEU 94 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iti h LEU 94 Cb 0.60 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1iti h LEU 94 CO 0.04 -0.20 0.11 1.87 0.09 0.00 0.00 178.44 180.35 1iti n TRP 95 N -3.44 0.00 0.01 1.13 -0.00 -1.21 -2.57 117.44 111.36 1iti n TRP 95 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.46 1iti n TRP 95 Cb 0.15 -0.39 -0.00 0.00 -0.00 0.00 0.00 31.31 31.06 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 -0.04 1.13 5.87 0.00 0.29 -3.16 103.07 107.16 1iti h GLY 96 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1iti h GLY 96 CO 0.00 -0.01 0.00 1.47 0.00 0.00 0.00 176.54 178.00 1iti n LEU 97 N -2.28 0.00 -0.04 3.11 -0.00 -0.98 -2.63 117.00 114.18 1iti n LEU 97 Ca -0.00 0.07 -0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.01 -0.07 -0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1iti n LEU 97 CO 0.01 -0.07 -0.01 0.00 -0.00 0.00 0.00 177.39 177.31 1iti h ALA 98 N 1.96 0.00 -0.30 1.47 0.00 -1.49 -3.47 119.26 117.42 1iti h ALA 98 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1iti h ALA 98 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1iti h ALA 98 CO 0.00 0.02 -0.12 0.41 0.00 0.00 0.00 179.25 179.56 1iti n GLY 99 N 1.84 0.79 3.61 0.00 0.00 -1.08 -4.95 105.19 105.40 1iti n GLY 99 Ca -0.00 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.45 4.05 -0.10 0.99 1.43 -1.26 -4.93 118.68 117.41 1iti s LEU 100 Ca 0.00 0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 53.48 1iti s LEU 100 Cb 0.00 -3.19 -0.24 0.00 0.03 0.00 0.00 46.19 42.79 1iti s LEU 100 CO 0.00 -0.74 0.92 -1.13 0.23 0.00 0.00 176.35 175.63 1iti h ASN 101 N 8.26 -0.01 -3.44 2.29 -0.73 -2.00 -3.43 115.58 116.53 1iti h ASN 101 Ca -0.23 -0.81 -0.60 0.00 1.87 0.00 0.00 56.30 56.53 1iti h ASN 101 Cb 1.09 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 39.58 1iti h ASN 101 CO 0.94 0.82 0.06 -0.55 -0.37 0.00 0.00 177.43 178.33 1iti s SER 102 N -6.03 6.64 -0.44 1.15 0.15 -1.26 -4.94 113.70 108.97 1iti s SER 102 Ca -0.18 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.29 1iti s SER 102 Cb -0.01 -2.33 0.26 0.00 -1.71 0.00 0.00 66.02 62.23 1iti s SER 102 CO 0.67 -0.24 1.03 0.00 1.20 0.00 0.00 173.24 175.90 1iti s PRO 104 N 0.47 2.26 0.59 0.00 0.05 -1.26 -4.94 135.00 132.17 1iti s PRO 104 Ca 0.29 1.74 0.01 0.00 0.05 0.00 0.00 61.00 63.08 1iti s PRO 104 Cb 0.23 -1.85 0.05 0.00 0.05 0.00 0.00 34.50 32.99 1iti s PRO 104 CO -0.18 -1.74 0.82 0.54 0.05 0.00 0.00 177.00 176.50 1iti s VAL 105 N -1.98 2.54 0.00 -0.36 0.11 -1.26 -5.00 120.40 114.45 1iti s VAL 105 Ca 0.74 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1iti s VAL 105 Cb -0.29 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1iti s VAL 105 CO 0.44 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.38 1iti n LYS 106 N -2.45 0.00 -4.05 1.54 0.00 -1.26 -5.19 118.16 106.74 1iti n LYS 106 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.29 1iti n LYS 106 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.57 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1iti s GLU 107 N 4.14 1.61 0.00 1.64 2.02 -1.26 -5.16 118.70 121.69 1iti s GLU 107 Ca 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1iti s GLU 107 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.66 1iti s GLU 107 CO 0.00 -0.65 0.00 0.00 0.02 0.00 0.00 175.26 174.63 1iti n ALA 108 N -0.42 0.00 -1.64 5.21 0.00 -1.26 -4.93 120.51 117.46 1iti n ALA 108 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iti n ALA 108 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -3.44 0.00 9.92 -1.26 -4.97 116.55 116.81 1iti n ASP 109 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1iti n ASP 109 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 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 2.08 1.20 0.02 -1.24 2.00 -1.26 -4.23 119.66 118.23 1iti s GLN 110 Ca 0.00 -0.42 -0.28 0.00 -2.00 0.00 0.00 55.36 52.65 1iti s GLN 110 Cb 0.00 0.55 0.07 0.00 0.80 0.00 0.00 33.01 34.44 1iti s GLN 110 CO 0.00 -0.52 0.67 -1.54 -0.50 0.00 0.00 175.29 173.40 1iti s SER 111 N -2.67 -0.61 0.32 6.67 1.04 -0.92 -4.59 113.70 112.95 1iti s SER 111 Ca 0.01 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 1iti s SER 111 Cb -0.01 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.58 1iti s SER 111 CO -0.12 -0.72 0.69 0.42 0.98 0.00 0.00 173.24 174.49 1iti s THR 112 N -2.10 4.78 0.53 2.02 -4.23 -1.26 -0.00 115.64 115.37 1iti s THR 112 Ca -0.06 0.72 0.27 0.00 -1.18 0.00 0.00 61.69 61.44 1iti s THR 112 Cb -0.00 -3.64 0.43 0.00 1.34 0.00 0.00 72.50 70.62 1iti s THR 112 CO 0.01 -0.24 1.96 0.25 -0.54 0.00 0.00 174.62 176.06 1iti h LEU 113 N 2.07 0.01 0.00 4.79 5.85 -1.77 0.33 115.31 126.59 1iti h LEU 113 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1iti h LEU 113 Cb 1.18 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1iti h LEU 113 CO 0.66 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.97 1iti n GLU 114 N -4.34 0.00 -0.25 1.25 2.13 -1.26 -2.11 120.64 116.06 1iti n GLU 114 Ca 0.13 0.25 0.06 0.00 0.66 0.00 0.00 57.16 58.26 1iti n GLU 114 Cb 0.73 -1.00 0.19 0.00 0.27 0.00 0.00 31.44 31.63 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 0.05 -0.85 4.31 4.21 -1.93 0.24 115.58 121.62 1iti h ASN 115 Ca 0.00 0.14 0.18 0.00 1.21 0.00 0.00 56.30 57.84 1iti h ASN 115 Cb 0.00 0.18 -0.11 0.00 -1.12 0.00 0.00 38.32 37.27 1iti h ASN 115 CO 0.00 -0.03 0.37 0.15 -1.29 0.00 0.00 177.43 176.64 1iti h PHE 116 N 0.29 0.63 0.00 1.19 3.04 -0.45 0.83 116.94 122.47 1iti h PHE 116 Ca 0.42 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.37 1iti h PHE 116 Cb 0.72 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1iti h PHE 116 CO -0.25 0.02 -0.22 -0.07 -2.02 0.00 0.00 178.31 175.78 1iti h LEU 117 N 0.45 0.00 0.00 0.59 3.38 0.02 -2.54 115.31 117.21 1iti h LEU 117 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1iti h LEU 117 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1iti h LEU 117 CO -0.47 0.22 0.00 1.21 0.09 0.00 0.00 178.44 179.49 1iti n GLU 118 N -3.48 0.00 -0.34 1.13 2.13 0.28 -0.81 120.64 119.54 1iti n GLU 118 Ca -0.00 0.50 0.22 0.00 0.66 0.00 0.00 57.16 58.53 1iti n GLU 118 Cb 0.39 -1.23 0.47 0.00 0.27 0.00 0.00 31.44 31.34 1iti n GLU 118 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1iti h ARG 119 N 0.00 0.41 0.73 5.31 0.11 -1.46 0.13 114.38 119.61 1iti h ARG 119 Ca 0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 1iti h ARG 119 Cb 0.00 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 30.99 1iti h ARG 119 CO 0.00 0.27 -0.35 1.25 0.10 0.00 0.00 179.97 181.24 1iti h LEU 120 N 0.42 -0.84 -1.30 0.08 6.46 -1.49 0.12 115.31 118.77 1iti h LEU 120 Ca 0.66 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.64 1iti h LEU 120 Cb 1.53 0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 41.59 1iti h LEU 120 CO -0.43 -0.47 0.61 0.50 -0.62 0.00 0.00 178.44 178.03 1iti h LYS 121 N -1.24 0.54 0.15 1.25 3.64 0.36 0.25 116.57 121.53 1iti h LYS 121 Ca -0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1iti h LYS 121 Cb 0.77 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1iti h LYS 121 CO 0.17 0.36 -0.07 1.15 -2.27 0.00 0.00 179.45 178.78 1iti h THR 122 N 0.56 0.99 -0.40 1.00 2.02 -0.60 -2.68 112.91 113.80 1iti h THR 122 Ca 0.52 -0.83 0.11 0.00 0.77 0.00 0.00 66.41 66.98 1iti h THR 122 Cb 1.08 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1iti h THR 122 CO -0.27 0.19 0.29 0.40 0.37 0.00 0.00 175.52 176.50 1iti h ILE 123 N -0.62 0.81 0.14 3.11 2.04 0.41 -0.90 117.51 122.50 1iti h ILE 123 Ca -0.02 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1iti h ILE 123 Cb 0.47 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1iti h ILE 123 CO 0.03 0.00 -0.07 0.24 0.00 0.00 0.00 178.15 178.36 1iti h MET 124 N 0.02 -0.19 0.00 2.37 2.86 -0.78 -2.08 114.93 117.13 1iti h MET 124 Ca 0.19 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1iti h MET 124 Cb 0.73 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1iti h MET 124 CO -0.01 0.09 0.00 0.54 1.06 0.00 0.00 176.91 178.59 1iti n ARG 125 N -5.05 0.09 -0.04 1.72 1.74 -0.67 -0.89 116.66 113.55 1iti n ARG 125 Ca -0.09 0.36 -0.15 0.00 -0.77 0.00 0.00 57.85 57.20 1iti n ARG 125 Cb 0.20 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 29.83 1iti n ARG 125 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1iti h GLU 126 N 0.00 0.07 0.00 5.56 4.22 -0.57 -3.33 114.58 120.53 1iti h GLU 126 Ca 0.00 -0.12 -0.08 0.00 0.08 0.00 0.00 59.36 59.24 1iti h GLU 126 Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1iti h GLU 126 CO 0.00 1.03 -0.52 0.87 -2.18 0.00 0.00 179.01 178.21 1iti h LYS 127 N -0.82 0.00 0.00 1.92 1.57 -1.23 -3.20 116.57 114.81 1iti h LYS 127 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 127 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1iti h LYS 127 CO 0.04 0.31 0.00 0.98 -0.57 0.00 0.00 179.45 180.20 1iti n TYR 128 N -3.11 0.00 0.68 -1.35 9.36 -0.07 -2.64 117.16 120.04 1iti n TYR 128 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1iti n TYR 128 Cb 0.68 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.36 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 -1.03 0.76 0.00 2.98 3.41 -1.21 -4.21 113.62 114.32 1iti n SER 129 Ca 0.01 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 1iti n SER 129 Cb 0.01 -0.34 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 0.18 0.00 -0.59 4.33 2.85 -1.08 -4.40 118.16 119.45 1iti n LYS 130 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1iti n LYS 130 Cb 0.18 0.00 0.26 0.00 -0.65 0.00 0.00 35.03 34.82 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s SER 132 N -0.50 0.03 0.00 0.00 0.15 -1.26 -5.02 113.70 107.10 1iti s SER 132 Ca 0.35 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1iti s SER 132 Cb 0.27 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1iti s SER 132 CO 0.10 -0.58 0.00 -1.20 1.20 0.00 0.00 173.24 172.77