#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 0.00 -2.66 0.62 0.00 -1.26 -4.96 120.51 112.25 1iti n ALA 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1iti n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1iti n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1iti s GLU 3 N 0.23 4.24 0.00 0.00 2.02 -1.26 -4.86 118.70 119.07 1iti s GLU 3 Ca 0.00 1.09 0.00 0.00 0.02 0.00 0.00 54.97 56.08 1iti s GLU 3 Cb 0.00 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1iti s GLU 3 CO 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 175.26 174.79 1iti n ALA 4 N 5.85 0.35 -0.25 5.21 0.00 -1.26 -5.13 120.51 125.28 1iti n ALA 4 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1iti n ALA 4 Cb 0.47 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.21 1iti n ALA 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iti n HIS 5 N 0.00 -3.64 -1.68 0.00 8.25 -1.26 -4.98 115.22 111.91 1iti n HIS 5 Ca 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 1iti n HIS 5 Cb 0.00 -1.36 0.00 0.00 1.12 0.00 0.00 29.99 29.75 1iti n HIS 5 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1iti n LYS 6 N -5.57 0.00 -1.60 -0.41 -0.00 -1.26 -5.09 118.16 104.22 1iti n LYS 6 Ca 0.13 -0.62 -0.54 0.00 -0.00 0.00 0.00 58.31 57.28 1iti n LYS 6 Cb 0.59 -0.39 -0.06 0.00 -0.00 0.00 0.00 35.03 35.16 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 0.95 7.19 0.24 0.00 2.15 -1.26 -4.94 116.67 121.00 1iti s ASP 8 Ca 0.88 1.42 0.21 0.00 0.43 0.00 0.00 52.55 55.49 1iti s ASP 8 Cb -1.02 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 39.20 1iti s ASP 8 CO 0.52 0.02 1.16 -0.29 -0.17 0.00 0.00 175.17 176.41 1iti h ILE 9 N 4.14 0.15 -0.74 4.11 2.10 -2.01 -3.34 117.51 121.92 1iti h ILE 9 Ca -0.44 -1.26 0.08 0.00 1.08 0.00 0.00 64.86 64.32 1iti h ILE 9 Cb 1.20 1.77 -0.07 0.00 -1.09 0.00 0.00 36.82 38.64 1iti h ILE 9 CO 0.71 0.09 0.40 0.74 -1.08 0.00 0.00 178.15 179.01 1iti h THR 10 N 0.00 0.91 0.00 2.19 2.02 -2.00 0.25 112.91 116.28 1iti h THR 10 Ca -0.03 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1iti h THR 10 Cb 1.13 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1iti h THR 10 CO 0.01 0.13 -0.03 -0.07 0.37 0.00 0.00 175.52 175.93 1iti h LEU 11 N 0.70 0.00 0.06 2.58 3.38 -1.99 -1.57 115.31 118.47 1iti h LEU 11 Ca 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1iti h LEU 11 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1iti h LEU 11 CO -0.23 0.03 -0.03 -0.61 0.09 0.00 0.00 178.44 177.69 1iti h GLN 12 N 0.00 -0.08 -0.29 1.13 4.15 -0.69 -2.76 115.11 116.58 1iti h GLN 12 Ca -0.00 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.51 1iti h GLN 12 Cb 0.17 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1iti h GLN 12 CO 0.00 -0.05 0.42 1.05 -1.93 0.00 0.00 178.83 178.33 1iti h GLU 13 N -0.33 0.00 0.31 1.69 -0.00 -1.42 -1.26 114.58 113.57 1iti h GLU 13 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1iti h GLU 13 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1iti h GLU 13 CO 0.01 0.00 -0.15 0.82 -0.00 0.00 0.00 179.01 179.69 1iti h ILE 14 N 0.00 0.58 -0.50 -1.06 2.04 -1.33 -2.54 117.51 114.70 1iti h ILE 14 Ca 0.14 -0.73 0.10 0.00 1.00 0.00 0.00 64.86 65.37 1iti h ILE 14 Cb 0.98 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.87 1iti h ILE 14 CO -0.00 0.12 -0.06 0.40 0.00 0.00 0.00 178.15 178.61 1iti h ILE 15 N -0.89 0.55 -0.83 -0.67 2.04 -0.93 0.85 117.51 117.63 1iti h ILE 15 Ca -0.04 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 65.93 1iti h ILE 15 Cb 0.52 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 1iti h ILE 15 CO 0.07 0.01 0.44 0.50 0.00 0.00 0.00 178.15 179.17 1iti h LYS 16 N 0.06 0.64 -0.09 2.37 3.64 -1.50 -1.20 116.57 120.48 1iti h LYS 16 Ca 0.25 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1iti h LYS 16 Cb 0.38 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1iti h LYS 16 CO -0.47 0.42 0.01 1.15 -2.27 0.00 0.00 179.45 178.29 1iti h THR 17 N 0.66 0.95 -0.73 1.00 2.02 -0.41 -2.23 112.91 114.17 1iti h THR 17 Ca 0.44 -0.02 0.16 0.00 0.77 0.00 0.00 66.41 67.77 1iti h THR 17 Cb 0.57 0.90 -0.12 0.00 -1.74 0.00 0.00 68.15 67.76 1iti h THR 17 CO -0.33 0.01 0.06 -0.07 0.37 0.00 0.00 175.52 175.55 1iti h LEU 18 N 0.05 -0.23 -0.43 2.58 3.38 -0.50 0.17 115.31 120.33 1iti h LEU 18 Ca 0.04 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1iti h LEU 18 Cb 0.04 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1iti h LEU 18 CO -0.06 -0.13 0.18 0.78 0.09 0.00 0.00 178.44 179.30 1iti h ASN 19 N 0.15 0.23 -0.84 -0.43 2.35 -1.08 -1.21 115.58 114.75 1iti h ASN 19 Ca 0.40 0.04 0.20 0.00 -0.55 0.00 0.00 56.30 56.38 1iti h ASN 19 Cb 0.70 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.95 1iti h ASN 19 CO -0.60 0.17 0.31 0.28 -1.65 0.00 0.00 177.43 175.94 1iti h SER 20 N 0.37 0.22 0.05 5.81 0.02 -0.25 -0.77 113.55 119.01 1iti h SER 20 Ca 0.20 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1iti h SER 20 Cb 0.15 0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1iti h SER 20 CO -0.17 -0.01 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.42 1iti h LEU 21 N 0.36 -0.06 -1.36 5.07 3.38 -0.88 -2.55 115.31 119.27 1iti h LEU 21 Ca 0.50 -0.37 0.09 0.00 0.09 0.00 0.00 57.88 58.19 1iti h LEU 21 Cb 0.91 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1iti h LEU 21 CO -0.52 0.35 0.69 0.71 0.09 0.00 0.00 178.44 179.76 1iti h THR 22 N -0.49 0.10 0.05 0.22 1.35 -0.06 1.11 112.91 115.19 1iti h THR 22 Ca -0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 1iti h THR 22 Cb 0.43 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.21 1iti h THR 22 CO 0.01 0.00 -1.26 -0.33 -0.25 0.00 0.00 175.52 173.69 1iti h GLU 23 N 0.00 0.11 -6.75 4.72 5.08 -0.92 -3.45 114.58 113.38 1iti h GLU 23 Ca 0.15 -0.19 -0.50 0.00 -1.00 0.00 0.00 59.36 57.82 1iti h GLU 23 Cb 1.54 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1iti h GLU 23 CO -0.00 1.01 0.08 -0.65 -1.00 0.00 0.00 179.01 178.45 1iti s GLN 24 N -2.66 3.90 -0.11 2.33 -0.21 0.38 -5.08 119.66 118.20 1iti s GLN 24 Ca -0.03 0.55 -0.05 0.00 0.02 0.00 0.00 55.36 55.85 1iti s GLN 24 Cb 0.08 -2.43 0.05 0.00 1.00 0.00 0.00 33.01 31.71 1iti s GLN 24 CO 0.84 0.10 0.25 0.15 -2.12 0.00 0.00 175.29 174.51 1iti s LYS 25 N -3.31 0.21 0.26 2.91 1.02 -1.26 -4.93 119.74 114.63 1iti s LYS 25 Ca 0.52 0.56 -0.03 0.00 0.02 0.00 0.00 55.97 57.04 1iti s LYS 25 Cb -0.10 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.07 1iti s LYS 25 CO 0.23 -0.17 0.31 0.95 -0.92 0.00 0.00 175.35 175.74 1iti s THR 26 N 1.37 0.00 -0.46 2.17 -4.23 -1.26 -5.01 115.64 108.22 1iti s THR 26 Ca -0.08 -1.77 0.22 0.00 -1.18 0.00 0.00 61.69 58.87 1iti s THR 26 Cb -0.10 -2.45 0.22 0.00 1.34 0.00 0.00 72.50 71.51 1iti s THR 26 CO -0.09 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.65 1iti n LEU 27 N -0.40 0.58 0.00 4.79 -0.00 -1.26 -1.98 117.00 118.73 1iti n LEU 27 Ca 0.02 0.67 0.03 0.00 -0.00 0.00 0.00 56.01 56.73 1iti n LEU 27 Cb 0.64 -0.63 0.14 0.00 -0.00 0.00 0.00 43.42 43.56 1iti n LEU 27 CO 0.30 -0.64 0.56 0.00 -0.00 0.00 0.00 177.39 177.61 1iti h THR 29 N 0.00 1.07 0.00 0.00 1.35 -1.82 -3.24 112.91 110.26 1iti h THR 29 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1iti h THR 29 Cb 0.08 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1iti h THR 29 CO 0.00 0.84 0.35 -0.08 -0.25 0.00 0.00 175.52 176.38 1iti h GLU 30 N 0.11 0.00 0.00 4.72 4.57 -1.56 -3.34 114.58 119.07 1iti h GLU 30 Ca -0.30 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1iti h GLU 30 Cb 2.10 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 30.70 1iti h GLU 30 CO 0.20 0.00 -0.00 1.28 -1.18 0.00 0.00 179.01 179.30 1iti n LEU 31 N -2.25 0.00 -3.43 1.64 4.77 -1.23 -4.97 117.00 111.53 1iti n LEU 31 Ca -0.01 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 1iti n LEU 31 Cb 0.37 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1iti n LEU 31 CO 0.07 -1.53 -0.19 0.42 -1.33 0.00 0.00 177.39 174.82 1iti s THR 32 N -1.02 -0.36 0.65 -5.08 -4.23 -1.26 -4.31 115.64 100.02 1iti s THR 32 Ca 0.02 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 1iti s THR 32 Cb -0.00 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.89 1iti s THR 32 CO 0.02 -0.44 1.04 0.68 -0.54 0.00 0.00 174.62 175.38 1iti s VAL 33 N 2.33 4.28 0.11 2.29 -7.23 0.41 -4.60 120.40 117.99 1iti s VAL 33 Ca 0.09 0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 60.75 1iti s VAL 33 Cb -0.14 -3.58 -0.07 0.00 0.56 0.00 0.00 36.38 33.14 1iti s VAL 33 CO -0.29 -0.92 1.24 -0.89 -0.31 0.00 0.00 175.10 173.93 1iti s THR 34 N -3.01 3.75 -0.31 5.32 2.01 -1.26 0.66 115.64 122.80 1iti s THR 34 Ca 0.58 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 63.60 1iti s THR 34 Cb -0.13 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1iti s THR 34 CO 0.51 0.14 1.08 -0.62 -0.69 0.00 0.00 174.62 175.04 1iti s ASP 35 N 0.78 6.95 -0.06 3.53 -1.08 -1.24 -4.76 116.67 120.78 1iti s ASP 35 Ca 0.58 1.09 0.13 0.00 -0.52 0.00 0.00 52.55 53.83 1iti s ASP 35 Cb -0.32 -2.54 -0.23 0.00 -1.46 0.00 0.00 42.92 38.37 1iti s ASP 35 CO 0.32 -0.86 0.60 2.30 0.52 0.00 0.00 175.17 178.05 1iti n ILE 36 N 5.82 1.59 1.41 4.11 -5.35 -1.26 -3.77 119.36 121.91 1iti n ILE 36 Ca 0.12 -0.80 0.12 0.00 -0.27 0.00 0.00 62.75 61.92 1iti n ILE 36 Cb 0.47 -1.00 0.69 0.00 -1.74 0.00 0.00 39.64 38.06 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 -3.02 0.00 0.55 4.28 3.72 -1.26 -2.69 117.46 119.03 1iti n PHE 37 Ca -0.19 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.27 1iti n PHE 37 Cb 1.06 -0.08 0.19 0.00 -0.94 0.00 0.00 39.48 39.70 1iti n PHE 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iti n ALA 38 N -1.08 2.64 -2.10 4.37 0.00 -1.25 -3.98 120.51 119.12 1iti n ALA 38 Ca 0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 1iti n ALA 38 Cb 0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 0.58 3.26 -2.65 0.00 0.00 -1.10 -4.84 120.51 115.77 1iti n ALA 39 Ca 0.14 -0.94 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 1iti n ALA 39 Cb 0.44 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.09 7.36 0.00 0.00 0.15 -1.24 -4.89 113.70 113.99 1iti s SER 40 Ca 0.07 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.41 1iti s SER 40 Cb 0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1iti s SER 40 CO -0.03 -0.26 0.00 0.29 1.20 0.00 0.00 173.24 174.44 1iti n LYS 41 N 3.79 0.00 0.00 5.44 5.02 -1.26 -4.93 118.16 126.22 1iti n LYS 41 Ca 0.06 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.48 1iti n LYS 41 Cb 0.50 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.96 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 -0.03 0.39 -4.68 4.39 2.03 -1.26 -4.83 116.55 112.56 1iti n ASP 42 Ca 0.00 -0.15 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 1iti n ASP 42 Cb 0.00 -0.05 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1iti s THR 43 N -2.85 3.39 0.54 5.18 -4.23 -1.26 -4.99 115.64 111.41 1iti s THR 43 Ca 0.17 0.68 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1iti s THR 43 Cb 0.19 -3.44 0.13 0.00 1.34 0.00 0.00 72.50 70.72 1iti s THR 43 CO 0.59 -0.03 0.70 0.35 -0.54 0.00 0.00 174.62 175.69 1iti n THR 44 N 5.04 0.00 -0.31 3.99 -2.24 -1.26 -4.77 114.28 114.73 1iti n THR 44 Ca 0.16 -0.49 -0.01 0.00 -2.27 0.00 0.00 64.05 61.44 1iti n THR 44 Cb 0.42 -1.65 0.16 0.00 -2.10 0.00 0.00 70.33 67.16 1iti n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1iti h GLU 45 N 0.00 1.19 0.12 -0.78 5.08 -1.98 -1.54 114.58 116.67 1iti h GLU 45 Ca -0.23 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1iti h GLU 45 Cb 0.64 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1iti h GLU 45 CO 0.16 0.80 -0.42 0.87 -1.00 0.00 0.00 179.01 179.41 1iti h LYS 46 N 1.22 -0.63 0.00 2.33 1.79 -1.99 0.98 116.57 120.27 1iti h LYS 46 Ca 0.33 0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.83 1iti h LYS 46 Cb -0.12 0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1iti h LYS 46 CO -0.07 -0.42 -0.07 0.93 -1.08 0.00 0.00 179.45 178.74 1iti h GLU 47 N -0.66 0.00 -0.19 3.15 4.39 -1.84 -2.43 114.58 116.99 1iti h GLU 47 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1iti h GLU 47 Cb 0.68 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1iti h GLU 47 CO -0.24 0.07 -0.07 1.15 -1.16 0.00 0.00 179.01 178.76 1iti h THR 48 N 0.00 1.30 0.00 1.13 2.02 0.17 -1.56 112.91 115.96 1iti h THR 48 Ca -0.00 -1.08 -0.09 0.00 0.77 0.00 0.00 66.41 66.01 1iti h THR 48 Cb 0.23 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1iti h THR 48 CO 0.01 0.33 -0.41 -0.26 0.37 0.00 0.00 175.52 175.55 1iti h PHE 49 N 0.10 0.00 0.41 3.16 0.04 -0.71 -2.73 116.94 117.20 1iti h PHE 49 Ca 0.05 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 1iti h PHE 49 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1iti h PHE 49 CO 0.06 0.41 -0.20 0.00 -0.60 0.00 0.00 178.31 177.98 1iti h ARG 51 N -1.01 0.24 -0.08 0.00 3.08 -1.29 0.15 114.38 115.48 1iti h ARG 51 Ca -0.06 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1iti h ARG 51 Cb 0.54 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1iti h ARG 51 CO 0.09 0.16 -0.07 0.00 -1.07 0.00 0.00 179.97 179.08 1iti h ALA 52 N 1.56 0.00 -0.34 0.04 0.00 -1.49 -2.11 119.26 116.93 1iti h ALA 52 Ca 0.37 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1iti h ALA 52 Cb 0.60 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1iti h ALA 52 CO -0.48 -0.53 0.18 0.00 0.00 0.00 0.00 179.25 178.42 1iti h ALA 53 N 0.99 0.41 -0.78 0.00 0.00 -0.34 -1.97 119.26 117.57 1iti h ALA 53 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.15 1iti h ALA 53 Cb 0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 1iti h ALA 53 CO -0.13 -0.18 0.24 1.15 0.00 0.00 0.00 179.25 180.32 1iti h THR 54 N 0.37 0.50 0.46 0.00 2.02 -0.28 0.27 112.91 116.25 1iti h THR 54 Ca 0.14 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1iti h THR 54 Cb 0.03 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1iti h THR 54 CO -0.08 0.06 -0.22 0.58 0.37 0.00 0.00 175.52 176.23 1iti h VAL 55 N 0.31 0.00 -0.85 3.16 2.07 -0.73 -2.35 116.25 117.86 1iti h VAL 55 Ca 0.46 -0.09 0.25 0.00 0.82 0.00 0.00 66.70 68.14 1iti h VAL 55 Cb 0.80 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1iti h VAL 55 CO -0.52 0.00 0.80 -0.07 0.02 0.00 0.00 177.57 177.80 1iti h LEU 56 N -0.70 0.00 0.25 2.57 3.38 -0.92 -1.03 115.31 118.85 1iti h LEU 56 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 56 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1iti h LEU 56 CO 0.10 0.00 -0.12 -0.09 0.09 0.00 0.00 178.44 178.43 1iti h ARG 57 N 0.00 -0.32 0.00 1.13 2.43 0.04 -2.54 114.38 115.12 1iti h ARG 57 Ca 0.41 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1iti h ARG 57 Cb 2.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1iti h ARG 57 CO -0.00 -0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.24 1iti n GLN 58 N -3.11 0.10 0.00 0.20 10.64 -0.65 -1.60 117.38 122.96 1iti n GLN 58 Ca -0.04 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 1iti n GLN 58 Cb 0.13 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.01 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 -1.16 0.00 1.08 2.61 -0.00 -0.49 -3.09 117.46 116.42 1iti n PHE 59 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.58 1iti n PHE 59 Cb 0.03 -0.27 0.55 0.00 -0.00 0.00 0.00 39.48 39.79 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.00 0.00 0.00 176.76 179.24 1iti n TYR 60 N -1.58 0.00 -0.01 -5.13 0.18 -1.00 -1.48 117.16 108.15 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 -0.18 -0.14 0.00 -0.38 0.00 0.00 39.34 38.64 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 0.35 0.00 9.48 0.02 -1.46 -3.26 113.55 118.67 1iti h SER 61 Ca 0.00 -0.87 -0.20 0.00 -0.84 0.00 0.00 61.79 59.88 1iti h SER 61 Cb 0.12 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1iti h SER 61 CO 0.00 1.79 -1.16 1.41 -1.14 0.00 0.00 176.83 177.73 1iti n HIS 62 N -3.67 0.99 -0.12 3.45 8.25 -1.17 -3.92 115.22 119.02 1iti n HIS 62 Ca -0.32 0.43 -0.04 0.00 -0.26 0.00 0.00 57.72 57.53 1iti n HIS 62 Cb 0.98 -1.04 0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 0.10 -0.66 4.41 3.86 -1.44 0.17 115.15 120.59 1iti h HIS 63 Ca -0.30 0.03 0.19 0.00 -1.16 0.00 0.00 60.37 59.13 1iti h HIS 63 Cb 1.17 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 1iti h HIS 63 CO 0.04 -0.01 0.54 1.49 0.86 0.00 0.00 177.93 180.85 1iti h GLU 64 N 0.19 0.00 0.00 2.45 4.22 -1.69 0.76 114.58 120.51 1iti h GLU 64 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1iti h GLU 64 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1iti h GLU 64 CO -0.28 0.00 -0.55 0.87 -2.18 0.00 0.00 179.01 176.87 1iti h LYS 65 N 0.00 0.00 -6.76 1.92 1.57 -0.83 -3.46 116.57 109.02 1iti h LYS 65 Ca 0.31 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.59 1iti h LYS 65 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 1iti h LYS 65 CO -0.00 0.00 0.06 0.34 -0.57 0.00 0.00 179.45 179.28 1iti s ASP 66 N -5.38 6.54 -0.55 0.86 -1.08 0.27 -4.97 116.67 112.35 1iti s ASP 66 Ca 0.04 1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 53.12 1iti s ASP 66 Cb 0.09 -2.30 0.32 0.00 -1.46 0.00 0.00 42.92 39.58 1iti s ASP 66 CO 0.73 -0.33 2.10 0.35 0.52 0.00 0.00 175.17 178.54 1iti n THR 67 N -1.08 3.31 -0.05 1.71 -2.24 -1.26 -4.51 114.28 110.16 1iti n THR 67 Ca 0.02 -2.64 -0.04 0.00 -2.27 0.00 0.00 64.05 59.12 1iti n THR 67 Cb 0.54 -1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 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 -0.28 0.30 0.00 -0.78 1.74 -1.26 -3.78 116.66 112.60 1iti n ARG 68 Ca 0.49 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.95 1iti n ARG 68 Cb 0.58 -1.20 0.55 0.00 -1.02 0.00 0.00 32.46 31.38 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iti n LEU 70 N -0.90 0.62 0.00 0.00 4.77 -1.26 -4.82 117.00 115.41 1iti n LEU 70 Ca 0.14 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1iti n LEU 70 Cb 0.06 -0.60 -0.01 0.00 -2.33 0.00 0.00 43.42 40.54 1iti n LEU 70 CO 0.11 -0.46 -0.07 0.61 -1.33 0.00 0.00 177.39 176.25 1iti n GLY 71 N 1.61 -2.17 0.08 -0.72 0.00 -1.25 -4.16 105.19 98.58 1iti n GLY 71 Ca -0.03 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.32 2.15 -1.55 4.61 0.00 -1.26 -4.88 120.51 118.27 1iti n ALA 72 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 53.44 52.41 1iti n ALA 72 Cb 0.17 -0.76 0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.66 3.25 -0.02 0.00 -2.24 -1.26 -4.91 114.28 106.44 1iti n THR 73 Ca -0.12 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.08 1iti n THR 73 Cb 0.80 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.89 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti h ALA 74 N 0.29 0.74 -0.13 6.98 0.00 -1.93 -3.18 119.26 122.03 1iti h ALA 74 Ca -0.48 -1.44 -0.08 0.00 0.00 0.00 0.00 54.91 52.92 1iti h ALA 74 Cb 1.37 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1iti h ALA 74 CO 0.49 1.56 -0.26 -0.56 0.00 0.00 0.00 179.25 180.47 1iti h GLN 75 N 0.00 0.24 0.02 0.00 -0.00 -1.97 -2.62 115.11 110.78 1iti h GLN 75 Ca -0.28 -0.08 -0.22 0.00 -0.00 0.00 0.00 58.65 58.07 1iti h GLN 75 Cb 2.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 29.44 1iti h GLN 75 CO 0.08 0.49 -1.07 0.37 -0.00 0.00 0.00 178.83 178.70 1iti h GLN 76 N 0.21 0.04 -0.64 0.06 4.15 -1.87 -2.65 115.11 114.42 1iti h GLN 76 Ca 0.03 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 1iti h GLN 76 Cb 0.58 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1iti h GLN 76 CO 0.04 1.02 0.26 0.35 -1.93 0.00 0.00 178.83 178.57 1iti h PHE 77 N 0.01 0.98 0.14 3.99 3.57 -1.45 -0.94 116.94 123.24 1iti h PHE 77 Ca -0.04 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1iti h PHE 77 Cb 1.81 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1iti h PHE 77 CO 0.01 0.77 -0.07 1.25 -2.23 0.00 0.00 178.31 178.04 1iti h HIS 78 N 0.90 -0.17 0.00 0.41 2.76 -1.54 -1.57 115.15 115.93 1iti h HIS 78 Ca 0.21 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1iti h HIS 78 Cb 0.21 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1iti h HIS 78 CO 0.01 0.28 0.27 0.00 -1.30 0.00 0.00 177.93 177.19 1iti h ARG 79 N -0.87 0.00 0.00 5.26 3.08 -1.46 -1.58 114.38 118.81 1iti h ARG 79 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 1iti h ARG 79 Cb 0.53 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1iti h ARG 79 CO 0.03 0.00 -1.00 1.25 -1.07 0.00 0.00 179.97 179.18 1iti h HIS 80 N 0.00 0.00 -0.95 3.04 2.76 -1.03 -3.27 115.15 115.70 1iti h HIS 80 Ca 0.00 0.00 0.25 0.00 -2.20 0.00 0.00 60.37 58.42 1iti h HIS 80 Cb 0.53 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 29.36 1iti h HIS 80 CO 0.00 1.22 0.48 0.87 -1.30 0.00 0.00 177.93 179.20 1iti h LYS 81 N -1.00 0.41 -0.05 5.26 1.79 -0.29 0.14 116.57 122.83 1iti h LYS 81 Ca -0.26 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1iti h LYS 81 Cb 1.14 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1iti h LYS 81 CO -0.16 0.27 0.02 0.37 -1.08 0.00 0.00 179.45 178.88 1iti h GLN 82 N 0.42 0.07 -0.00 3.15 4.15 -1.62 -1.03 115.11 120.25 1iti h GLN 82 Ca 0.62 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 60.05 1iti h GLN 82 Cb 1.25 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.87 1iti h GLN 82 CO -0.54 0.17 -0.53 1.25 -1.93 0.00 0.00 178.83 177.25 1iti h LEU 83 N -0.04 -1.63 -0.49 -2.39 6.46 -0.79 -0.96 115.31 115.47 1iti h LEU 83 Ca 0.02 0.18 0.09 0.00 -0.12 0.00 0.00 57.88 58.05 1iti h LEU 83 Cb 0.12 0.62 -0.07 0.00 -0.73 0.00 0.00 40.66 40.60 1iti h LEU 83 CO -0.00 -0.52 0.06 0.40 -0.62 0.00 0.00 178.44 177.76 1iti h ILE 84 N -0.66 0.68 -0.56 4.05 1.08 -1.33 -1.28 117.51 119.49 1iti h ILE 84 Ca 0.02 -0.06 0.11 0.00 -0.39 0.00 0.00 64.86 64.53 1iti h ILE 84 Cb 0.72 0.48 -0.11 0.00 -3.07 0.00 0.00 36.82 34.84 1iti h ILE 84 CO -0.36 0.03 -0.18 -0.09 -0.69 0.00 0.00 178.15 176.86 1iti h ARG 85 N 0.19 -0.05 0.72 2.37 9.65 -0.09 0.23 114.38 127.41 1iti h ARG 85 Ca 0.25 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.09 1iti h ARG 85 Cb 0.35 0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1iti h ARG 85 CO -0.35 -0.03 -0.35 0.74 2.80 0.00 0.00 179.97 182.78 1iti h PHE 86 N -0.05 -0.90 -1.01 2.20 0.04 -0.14 -1.86 116.94 115.23 1iti h PHE 86 Ca 0.26 -0.02 0.23 0.00 2.80 0.00 0.00 57.97 61.24 1iti h PHE 86 Cb 0.45 0.30 -0.12 0.00 2.20 0.00 0.00 35.95 38.78 1iti h PHE 86 CO -0.50 -0.55 0.60 -0.07 -0.60 0.00 0.00 178.31 177.19 1iti h LEU 87 N -0.99 0.71 -1.58 1.54 3.38 -0.53 0.84 115.31 118.67 1iti h LEU 87 Ca -0.10 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1iti h LEU 87 Cb 0.75 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1iti h LEU 87 CO 0.16 0.16 -0.22 0.11 0.09 0.00 0.00 178.44 178.74 1iti h LYS 88 N 0.63 0.00 0.01 1.13 1.57 -0.12 -0.47 116.57 119.32 1iti h LYS 88 Ca 0.62 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1iti h LYS 88 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1iti h LYS 88 CO -0.44 0.22 -0.00 -0.09 -0.57 0.00 0.00 179.45 178.57 1iti h ARG 89 N 0.00 -0.01 0.00 3.15 9.65 0.15 -3.24 114.38 124.08 1iti h ARG 89 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1iti h ARG 89 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1iti h ARG 89 CO 0.03 -0.00 0.09 1.47 2.80 0.00 0.00 179.97 184.36 1iti n LEU 90 N -2.07 0.15 -0.04 3.80 -0.00 -0.78 -0.93 117.00 117.13 1iti n LEU 90 Ca -0.00 0.50 -0.13 0.00 -0.00 0.00 0.00 56.01 56.38 1iti n LEU 90 Cb 0.00 -0.51 -0.01 0.00 -0.00 0.00 0.00 43.42 42.90 1iti n LEU 90 CO 0.00 -0.55 0.44 -0.78 -0.00 0.00 0.00 177.39 176.49 1iti h ASP 91 N 0.00 0.84 0.67 1.45 3.58 -1.10 -2.75 116.42 119.12 1iti h ASP 91 Ca 0.00 -0.46 -0.26 0.00 0.42 0.00 0.00 57.03 56.72 1iti h ASP 91 Cb 0.18 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1iti h ASP 91 CO 0.00 1.23 -1.37 0.03 -2.88 0.00 0.00 179.24 176.25 1iti h ARG 92 N 0.57 0.08 -0.06 0.28 2.47 -1.06 -3.22 114.38 113.45 1iti h ARG 92 Ca 0.01 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1iti h ARG 92 Cb 1.15 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.52 1iti h ARG 92 CO 0.12 0.90 0.02 -0.91 0.56 0.00 0.00 179.97 180.65 1iti h ASN 93 N 0.02 0.02 0.12 7.04 4.21 -1.49 0.20 115.58 125.71 1iti h ASN 93 Ca -0.16 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.34 1iti h ASN 93 Cb 1.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.12 1iti h ASN 93 CO 0.13 0.02 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.16 1iti h LEU 94 N 0.05 -0.14 0.00 1.61 3.38 -1.61 -1.62 115.31 116.98 1iti h LEU 94 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iti h LEU 94 Cb 0.01 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1iti h LEU 94 CO -0.02 -0.10 0.14 1.87 0.09 0.00 0.00 178.44 180.42 1iti n TRP 95 N -2.46 0.00 0.00 1.13 -0.00 -1.22 -2.42 117.44 112.48 1iti n TRP 95 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1iti n TRP 95 Cb 0.07 -0.31 -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 -0.00 1.12 5.87 0.00 0.39 -3.20 103.07 107.26 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 -2.03 0.00 0.00 3.11 -0.00 -1.02 -3.01 117.00 114.05 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 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1iti n LEU 97 CO 0.00 -0.07 0.02 0.00 -0.00 0.00 0.00 177.39 177.34 1iti n ALA 98 N -1.06 -0.02 -1.33 1.47 0.00 -1.10 -4.96 120.51 113.52 1iti n ALA 98 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1iti n ALA 98 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 1iti n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iti n GLY 99 N 1.97 0.45 3.77 0.00 0.00 -1.16 -5.02 105.19 105.19 1iti n GLY 99 Ca 0.00 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1iti n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iti s LEU 100 N -0.41 4.39 0.00 0.99 0.20 -1.26 -5.02 118.68 117.58 1iti s LEU 100 Ca 0.00 1.03 0.00 0.00 0.69 0.00 0.00 54.13 55.85 1iti s LEU 100 Cb 0.00 -2.79 0.00 0.00 -0.43 0.00 0.00 46.19 42.97 1iti s LEU 100 CO 0.00 0.13 0.00 -3.20 -0.29 0.00 0.00 176.35 172.99 1iti n ASN 101 N 2.76 0.00 -4.70 3.68 4.05 -1.26 -4.88 115.26 114.92 1iti n ASN 101 Ca -0.08 0.03 -0.42 0.00 0.45 0.00 0.00 54.58 54.55 1iti n ASN 101 Cb 0.51 -0.06 -0.03 0.00 1.23 0.00 0.00 39.78 41.44 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1iti s SER 102 N -1.30 7.29 -0.44 1.20 1.04 -1.26 -4.94 113.70 115.30 1iti s SER 102 Ca 0.00 1.57 0.04 0.00 0.48 0.00 0.00 55.95 58.04 1iti s SER 102 Cb 0.00 -2.56 0.26 0.00 0.10 0.00 0.00 66.02 63.83 1iti s SER 102 CO 0.00 -0.36 1.03 0.00 0.98 0.00 0.00 173.24 174.90 1iti s PRO 104 N 0.46 3.16 -0.01 0.00 0.05 -1.26 -4.91 135.00 132.49 1iti s PRO 104 Ca 0.29 2.04 -0.12 0.00 0.05 0.00 0.00 61.00 63.25 1iti s PRO 104 Cb 0.24 -2.17 -0.05 0.00 0.05 0.00 0.00 34.50 32.56 1iti s PRO 104 CO -0.18 -1.11 0.34 0.54 0.05 0.00 0.00 177.00 176.64 1iti s VAL 105 N -1.42 5.15 0.00 -0.36 0.11 -1.26 -5.02 120.40 117.60 1iti s VAL 105 Ca 0.72 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.40 1iti s VAL 105 Cb -0.36 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 30.86 1iti s VAL 105 CO 0.41 0.54 0.00 1.17 -3.33 0.00 0.00 175.10 173.89 1iti n LYS 106 N 1.70 0.03 -3.81 1.54 4.81 -1.26 -5.13 118.16 116.04 1iti n LYS 106 Ca -0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.18 1iti n LYS 106 Cb 0.53 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.49 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 2.54 0.64 0.00 1.64 2.02 -1.26 -5.16 118.70 119.12 1iti s GLU 107 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1iti s GLU 107 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1iti s GLU 107 CO 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 175.26 175.10 1iti n ALA 108 N 1.10 0.00 -1.56 5.21 0.00 -1.26 -5.02 120.51 118.98 1iti n ALA 108 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1iti n ALA 108 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1iti n ALA 108 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iti n ASP 109 N 0.00 0.00 -3.97 0.00 9.92 -1.26 -4.92 116.55 116.32 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1iti n ASP 109 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1iti n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1iti s GLN 110 N 2.49 1.19 0.00 -1.24 -2.07 -1.26 -3.66 119.66 115.11 1iti s GLN 110 Ca 0.00 -1.20 -0.28 0.00 -1.82 0.00 0.00 55.36 52.06 1iti s GLN 110 Cb 0.00 0.38 0.07 0.00 -1.09 0.00 0.00 33.01 32.37 1iti s GLN 110 CO 0.00 -0.44 0.63 -1.54 -1.32 0.00 0.00 175.29 172.62 1iti s SER 111 N -2.98 -0.59 0.10 12.60 1.04 0.21 -4.44 113.70 119.64 1iti s SER 111 Ca 0.19 0.48 -0.26 0.00 0.48 0.00 0.00 55.95 56.84 1iti s SER 111 Cb 0.03 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.62 1iti s SER 111 CO 0.01 -0.68 0.80 0.42 0.98 0.00 0.00 173.24 174.77 1iti s THR 112 N -1.84 4.55 0.56 2.02 -4.23 -1.26 0.15 115.64 115.59 1iti s THR 112 Ca -0.08 1.73 0.36 0.00 -1.18 0.00 0.00 61.69 62.52 1iti s THR 112 Cb -0.00 -4.16 0.53 0.00 1.34 0.00 0.00 72.50 70.21 1iti s THR 112 CO 0.04 0.42 1.76 0.25 -0.54 0.00 0.00 174.62 176.54 1iti h LEU 113 N 5.14 0.00 0.00 4.79 5.85 -1.75 0.26 115.31 129.60 1iti h LEU 113 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 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 -4.00 0.00 -0.20 1.25 4.07 -1.26 -1.58 120.64 118.91 1iti n GLU 114 Ca 0.24 0.18 0.01 0.00 -0.06 0.00 0.00 57.16 57.53 1iti n GLU 114 Cb 1.25 -0.98 0.11 0.00 -0.06 0.00 0.00 31.44 31.76 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1iti h ASN 115 N 0.00 -0.07 -0.48 4.31 -0.26 -1.87 -0.85 115.58 116.36 1iti h ASN 115 Ca 0.00 0.13 0.10 0.00 -0.56 0.00 0.00 56.30 55.96 1iti h ASN 115 Cb 0.00 0.19 -0.10 0.00 -1.06 0.00 0.00 38.32 37.35 1iti h ASN 115 CO 0.00 -0.03 -0.27 0.15 -1.06 0.00 0.00 177.43 176.22 1iti h PHE 116 N 0.22 -0.72 -0.59 1.19 3.04 -0.59 0.46 116.94 119.95 1iti h PHE 116 Ca 0.33 0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.39 1iti h PHE 116 Cb 0.51 0.39 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1iti h PHE 116 CO -0.28 -0.34 0.39 -0.07 -2.02 0.00 0.00 178.31 175.99 1iti h LEU 117 N -0.16 0.50 0.00 0.59 3.38 -0.16 -0.93 115.31 118.53 1iti h LEU 117 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1iti h LEU 117 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1iti h LEU 117 CO -0.58 0.33 0.00 1.21 0.09 0.00 0.00 178.44 179.49 1iti n GLU 118 N -4.47 0.00 -0.32 1.13 4.07 0.15 -0.71 120.64 120.49 1iti n GLU 118 Ca 0.08 0.49 0.35 0.00 -0.06 0.00 0.00 57.16 58.02 1iti n GLU 118 Cb 0.22 -1.42 0.74 0.00 -0.06 0.00 0.00 31.44 30.92 1iti n GLU 118 CO 0.00 0.00 0.00 0.07 -0.06 0.00 0.00 177.13 177.14 1iti h ARG 119 N 0.00 0.02 0.58 5.31 0.11 -1.18 -0.58 114.38 118.64 1iti h ARG 119 Ca 0.00 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 1iti h ARG 119 Cb 0.00 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.08 1iti h ARG 119 CO 0.00 0.01 -0.28 1.25 0.10 0.00 0.00 179.97 181.05 1iti h LEU 120 N 0.02 -0.66 -0.75 0.08 6.46 -0.90 0.11 115.31 119.67 1iti h LEU 120 Ca 0.56 -0.00 0.16 0.00 -0.12 0.00 0.00 57.88 58.49 1iti h LEU 120 Cb 2.22 0.17 -0.11 0.00 -0.73 0.00 0.00 40.66 42.21 1iti h LEU 120 CO -0.02 -0.26 0.20 0.50 -0.62 0.00 0.00 178.44 178.23 1iti h LYS 121 N -1.18 0.28 0.02 1.25 3.64 0.61 -0.50 116.57 120.69 1iti h LYS 121 Ca -0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1iti h LYS 121 Cb 0.62 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1iti h LYS 121 CO 0.13 0.19 -0.01 1.15 -2.27 0.00 0.00 179.45 178.64 1iti h THR 122 N 0.29 1.13 -0.88 1.00 2.02 -1.29 -2.67 112.91 112.51 1iti h THR 122 Ca 0.42 -0.46 0.22 0.00 0.77 0.00 0.00 66.41 67.36 1iti h THR 122 Cb 0.73 1.44 -0.13 0.00 -1.74 0.00 0.00 68.15 68.45 1iti h THR 122 CO -0.50 0.12 0.35 0.40 0.37 0.00 0.00 175.52 176.26 1iti h ILE 123 N -0.22 0.45 0.46 3.11 2.04 0.76 -0.05 117.51 124.06 1iti h ILE 123 Ca -0.00 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1iti h ILE 123 Cb 0.21 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1iti h ILE 123 CO 0.00 0.07 -0.27 0.24 0.00 0.00 0.00 178.15 178.19 1iti h MET 124 N 0.36 -0.66 -0.70 2.37 2.86 -0.93 -0.93 114.93 117.30 1iti h MET 124 Ca 0.55 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 58.43 1iti h MET 124 Cb 1.04 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1iti h MET 124 CO -0.54 -0.44 0.57 0.00 1.06 0.00 0.00 176.91 177.56 1iti h ARG 125 N -0.68 0.00 0.18 1.72 2.47 -0.74 0.75 114.38 118.07 1iti h ARG 125 Ca -0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1iti h ARG 125 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1iti h ARG 125 CO 0.06 0.00 -0.09 1.49 0.56 0.00 0.00 179.97 182.00 1iti h GLU 126 N 0.00 -0.23 0.00 0.04 4.81 -0.08 -3.13 114.58 115.98 1iti h GLU 126 Ca 0.33 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1iti h GLU 126 Cb 1.47 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1iti h GLU 126 CO -0.00 0.18 0.00 1.63 -0.73 0.00 0.00 179.01 180.09 1iti n LYS 127 N -4.96 0.21 0.00 1.92 5.02 -0.43 -2.66 118.16 117.27 1iti n LYS 127 Ca -0.08 0.34 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1iti n LYS 127 Cb 0.26 -1.84 0.19 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.23 0.00 -2.57 2.13 9.36 0.25 -4.56 117.16 119.53 1iti n TYR 128 Ca 0.03 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.84 1iti n TYR 128 Cb 0.30 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.98 1iti n TYR 128 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1iti s SER 129 N -1.67 6.29 0.00 2.98 1.04 -1.09 -4.67 113.70 116.59 1iti s SER 129 Ca 0.10 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1iti s SER 129 Cb 0.04 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1iti s SER 129 CO 0.07 -1.69 0.00 2.29 0.98 0.00 0.00 173.24 174.90 1iti n LYS 130 N 9.07 0.00 0.26 4.02 0.00 -1.26 -4.96 118.16 125.29 1iti n LYS 130 Ca 0.14 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.58 1iti n LYS 130 Cb 0.50 0.00 0.70 0.00 -0.00 0.00 0.00 35.03 36.23 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1iti s SER 132 N -6.10 6.53 0.00 0.00 1.04 -1.26 -5.09 113.70 108.82 1iti s SER 132 Ca -0.02 -1.92 0.32 0.00 0.48 0.00 0.00 55.95 54.80 1iti s SER 132 Cb 0.12 -2.36 1.89 0.00 0.10 0.00 0.00 66.02 65.77 1iti s SER 132 CO 0.58 -1.05 2.21 -1.20 0.98 0.00 0.00 173.24 174.76