#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti n ALA 2 N 0.00 2.97 1.32 4.31 0.00 -1.26 -4.88 120.51 122.97 1iti n ALA 2 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1iti n ALA 2 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1iti n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iti n GLU 3 N 0.27 1.02 -3.04 0.00 4.71 -1.26 -4.78 120.64 117.55 1iti n GLU 3 Ca -0.09 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.64 1iti n GLU 3 Cb 0.94 -1.34 -0.05 0.00 -1.01 0.00 0.00 31.44 29.98 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iti s ALA 4 N -1.33 3.55 -0.56 0.62 0.00 -1.26 -5.00 121.76 117.77 1iti s ALA 4 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 1iti s ALA 4 Cb 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 20.09 1iti s ALA 4 CO 0.00 -0.64 1.13 -1.01 0.00 0.00 0.00 175.76 175.24 1iti s HIS 5 N 2.11 2.67 -1.04 0.00 0.09 -1.26 -4.95 115.29 112.91 1iti s HIS 5 Ca 0.31 0.34 -0.18 0.00 -0.00 0.00 0.00 55.06 55.53 1iti s HIS 5 Cb -0.16 -4.40 0.12 0.00 -0.00 0.00 0.00 32.58 28.14 1iti s HIS 5 CO 0.10 -1.50 1.30 0.21 -0.00 0.00 0.00 174.74 174.85 1iti s LYS 6 N 4.67 3.73 -0.08 1.40 2.20 -1.26 -4.94 119.74 125.47 1iti s LYS 6 Ca 0.40 -1.83 -0.05 0.00 -0.36 0.00 0.00 55.97 54.14 1iti s LYS 6 Cb -0.09 -5.08 0.04 0.00 -1.51 0.00 0.00 37.83 31.19 1iti s LYS 6 CO 0.25 -1.89 0.19 0.00 -0.36 0.00 0.00 175.35 173.53 1iti s ASP 8 N 0.98 7.63 0.09 0.00 -1.08 -1.26 -4.94 116.67 118.09 1iti s ASP 8 Ca -0.07 1.93 0.23 0.00 -0.52 0.00 0.00 52.55 54.11 1iti s ASP 8 Cb -0.09 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 1iti s ASP 8 CO -0.06 0.13 0.94 0.00 0.52 0.00 0.00 175.17 176.70 1iti n ILE 9 N 1.68 0.31 -0.11 4.11 3.06 -1.26 -4.16 119.36 122.99 1iti n ILE 9 Ca -0.01 -0.40 -0.11 0.00 -2.50 0.00 0.00 62.75 59.72 1iti n ILE 9 Cb 0.47 -0.05 -0.03 0.00 0.54 0.00 0.00 39.64 40.58 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 1.28 -0.00 9.51 2.02 -1.99 -2.16 112.91 121.56 1iti h THR 10 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1iti h THR 10 Cb 0.88 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1iti h THR 10 CO 0.00 0.37 0.04 -0.07 0.37 0.00 0.00 175.52 176.22 1iti h LEU 11 N 0.43 0.00 0.00 2.58 3.38 -1.98 0.18 115.31 119.89 1iti h LEU 11 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1iti h LEU 11 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1iti h LEU 11 CO 0.03 0.00 -0.03 -0.61 0.09 0.00 0.00 178.44 177.92 1iti h GLN 12 N 0.00 0.00 -0.13 1.13 4.15 -1.59 -2.74 115.11 115.92 1iti h GLN 12 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1iti h GLN 12 Cb 0.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1iti h GLN 12 CO -0.00 0.00 0.28 1.05 -1.93 0.00 0.00 178.83 178.23 1iti h GLU 13 N -0.33 0.00 0.28 1.69 -0.00 -1.37 -2.19 114.58 112.66 1iti h GLU 13 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1iti h GLU 13 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 1iti h GLU 13 CO 0.00 0.00 -0.13 0.82 -0.00 0.00 0.00 179.01 179.70 1iti h ILE 14 N 0.00 0.04 -0.60 -1.06 2.04 -1.06 -2.44 117.51 114.43 1iti h ILE 14 Ca 0.06 -0.75 0.12 0.00 1.00 0.00 0.00 64.86 65.30 1iti h ILE 14 Cb 0.62 0.08 -0.12 0.00 -0.74 0.00 0.00 36.82 36.66 1iti h ILE 14 CO -0.00 0.01 -0.20 0.40 0.00 0.00 0.00 178.15 178.36 1iti h ILE 15 N -1.09 0.32 -0.83 -0.67 2.04 -1.09 0.30 117.51 116.50 1iti h ILE 15 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1iti h ILE 15 Cb 0.31 0.32 -0.07 0.00 -0.74 0.00 0.00 36.82 36.64 1iti h ILE 15 CO 0.06 0.00 0.49 0.11 0.00 0.00 0.00 178.15 178.81 1iti h LYS 16 N -0.05 0.81 -0.57 2.37 1.57 -1.55 -1.30 116.57 117.86 1iti h LYS 16 Ca 0.28 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.07 1iti h LYS 16 Cb 0.48 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1iti h LYS 16 CO -0.64 0.54 0.27 1.15 -0.57 0.00 0.00 179.45 180.20 1iti h THR 17 N 0.84 0.91 -0.63 -0.16 2.02 0.08 -1.49 112.91 114.48 1iti h THR 17 Ca 0.39 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.46 1iti h THR 17 Cb 0.31 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 1iti h THR 17 CO -0.23 0.09 0.31 -0.07 0.37 0.00 0.00 175.52 176.00 1iti h LEU 18 N 0.52 0.42 -0.68 2.58 3.38 -0.31 -1.19 115.31 120.03 1iti h LEU 18 Ca 0.26 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1iti h LEU 18 Cb 0.21 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1iti h LEU 18 CO -0.20 0.26 0.38 0.78 0.09 0.00 0.00 178.44 179.76 1iti h ASN 19 N 0.56 0.57 -0.92 -0.43 2.35 -0.93 -1.28 115.58 115.50 1iti h ASN 19 Ca 0.29 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1iti h ASN 19 Cb 0.26 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1iti h ASN 19 CO -0.22 0.37 0.61 0.28 -1.65 0.00 0.00 177.43 176.82 1iti h SER 20 N 0.71 1.05 -0.41 5.81 0.02 -0.69 -2.27 113.55 117.77 1iti h SER 20 Ca 0.30 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1iti h SER 20 Cb 0.18 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1iti h SER 20 CO -0.18 0.75 0.21 -0.07 -1.14 0.00 0.00 176.83 176.41 1iti h LEU 21 N 1.23 0.32 -0.61 5.07 3.38 -0.47 -2.12 115.31 122.11 1iti h LEU 21 Ca 0.34 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.41 1iti h LEU 21 Cb -0.12 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 1iti h LEU 21 CO -0.08 0.23 0.27 0.71 0.09 0.00 0.00 178.44 179.66 1iti h THR 22 N 0.43 0.84 -1.02 0.22 1.35 -0.86 0.11 112.91 113.98 1iti h THR 22 Ca 0.17 -0.17 0.28 0.00 -0.55 0.00 0.00 66.41 66.15 1iti h THR 22 Cb 0.06 0.31 -0.05 0.00 -1.73 0.00 0.00 68.15 66.74 1iti h THR 22 CO -0.11 0.09 0.71 -0.33 -0.25 0.00 0.00 175.52 175.63 1iti h GLU 23 N 0.49 0.10 -6.37 4.72 5.08 -1.04 -3.39 114.58 114.16 1iti h GLU 23 Ca 0.30 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 58.12 1iti h GLU 23 Cb 0.31 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1iti h GLU 23 CO -0.26 0.07 -0.21 -1.14 -1.00 0.00 0.00 179.01 176.47 1iti s GLN 24 N -5.09 3.62 -0.12 2.33 0.74 0.37 -5.10 119.66 116.40 1iti s GLN 24 Ca -0.06 -0.07 -0.10 0.00 0.05 0.00 0.00 55.36 55.19 1iti s GLN 24 Cb 0.23 -2.72 0.04 0.00 1.10 0.00 0.00 33.01 31.65 1iti s GLN 24 CO 0.79 0.31 0.31 0.15 -0.55 0.00 0.00 175.29 176.30 1iti s LYS 25 N -3.30 0.34 0.23 1.67 1.02 -1.26 -4.94 119.74 113.49 1iti s LYS 25 Ca 0.42 0.50 -0.07 0.00 0.02 0.00 0.00 55.97 56.85 1iti s LYS 25 Cb -0.11 0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1iti s LYS 25 CO 0.28 -0.08 0.31 0.95 -0.92 0.00 0.00 175.35 175.89 1iti s THR 26 N 0.55 0.00 -1.31 2.17 -4.23 -1.26 -5.00 115.64 106.56 1iti s THR 26 Ca -0.03 -1.70 0.12 0.00 -1.18 0.00 0.00 61.69 58.90 1iti s THR 26 Cb -0.05 -2.35 0.18 0.00 1.34 0.00 0.00 72.50 71.62 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 -2.25 117.00 117.95 1iti n LEU 27 Ca 0.00 0.34 0.05 0.00 -0.00 0.00 0.00 56.01 56.41 1iti n LEU 27 Cb 0.64 -0.34 0.24 0.00 -0.00 0.00 0.00 43.42 43.95 1iti n LEU 27 CO 0.28 -0.21 0.64 0.00 -0.00 0.00 0.00 177.39 178.10 1iti h THR 29 N 0.00 1.19 0.00 0.00 1.35 -1.88 -3.18 112.91 110.38 1iti h THR 29 Ca 0.00 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 63.21 1iti h THR 29 Cb 0.15 2.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1iti h THR 29 CO 0.00 0.82 0.10 -0.62 -0.25 0.00 0.00 175.52 175.57 1iti n GLU 30 N -3.68 0.00 -0.36 4.72 -0.58 -0.96 -3.94 120.64 115.84 1iti n GLU 30 Ca -0.19 0.38 -0.11 0.00 -0.42 0.00 0.00 57.16 56.82 1iti n GLU 30 Cb 1.10 -1.60 0.09 0.00 -0.57 0.00 0.00 31.44 30.47 1iti n GLU 30 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1iti n LEU 31 N -1.38 0.00 -3.46 -4.62 4.77 -1.20 -5.00 117.00 106.11 1iti n LEU 31 Ca 0.00 -0.42 -0.16 0.00 -0.03 0.00 0.00 56.01 55.40 1iti n LEU 31 Cb 0.10 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.70 1iti n LEU 31 CO 0.00 -1.48 -0.17 0.42 -1.33 0.00 0.00 177.39 174.83 1iti s THR 32 N -1.71 -0.38 0.78 -5.08 -4.23 -1.26 -4.21 115.64 99.55 1iti s THR 32 Ca 0.26 -0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1iti s THR 32 Cb -0.03 -0.72 0.16 0.00 1.34 0.00 0.00 72.50 73.26 1iti s THR 32 CO 0.20 -0.20 1.06 1.33 -0.54 0.00 0.00 174.62 176.48 1iti n VAL 33 N 5.33 0.00 -3.12 2.29 0.24 0.25 -4.78 118.33 118.54 1iti n VAL 33 Ca -0.05 -1.50 -0.39 0.00 -2.04 0.00 0.00 64.34 60.35 1iti n VAL 33 Cb 0.50 -0.98 -0.05 0.00 -1.47 0.00 0.00 33.84 31.83 1iti n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iti s THR 34 N -3.25 5.07 1.19 3.34 2.01 -1.26 -1.39 115.64 121.35 1iti s THR 34 Ca 0.68 1.27 -0.19 0.00 0.31 0.00 0.00 61.69 63.76 1iti s THR 34 Cb -0.04 -3.97 0.28 0.00 0.01 0.00 0.00 72.50 68.79 1iti s THR 34 CO 0.46 0.23 1.12 -0.62 -0.69 0.00 0.00 174.62 175.12 1iti s ASP 35 N 0.86 1.04 0.00 3.53 2.15 -1.26 -4.83 116.67 118.17 1iti s ASP 35 Ca 0.33 0.60 0.00 0.00 0.43 0.00 0.00 52.55 53.90 1iti s ASP 35 Cb -0.17 -0.82 0.00 0.00 -0.30 0.00 0.00 42.92 41.63 1iti s ASP 35 CO 0.14 -4.05 0.00 2.30 -0.17 0.00 0.00 175.17 173.40 1iti n ILE 36 N -4.70 0.00 0.73 4.11 -5.35 -1.26 -4.70 119.36 108.18 1iti n ILE 36 Ca 0.13 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.72 1iti n ILE 36 Cb 0.59 0.00 0.47 0.00 -1.74 0.00 0.00 39.64 38.97 1iti n ILE 36 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1iti n PHE 37 N -1.01 0.13 -0.17 4.28 3.72 -1.26 -2.66 117.46 120.48 1iti n PHE 37 Ca 0.00 0.04 0.05 0.00 -0.05 0.00 0.00 57.45 57.49 1iti n PHE 37 Cb 0.00 -0.57 0.26 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 -1.54 3.35 -2.16 4.37 0.00 -1.26 -3.92 120.51 119.34 1iti n ALA 38 Ca 0.05 -1.20 -0.01 0.00 0.00 0.00 0.00 53.44 52.28 1iti n ALA 38 Cb 0.27 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 0.42 2.65 -1.97 0.00 0.00 -1.09 -4.81 120.51 115.71 1iti n ALA 39 Ca 0.18 -1.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.07 1iti n ALA 39 Cb 0.83 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.13 7.30 0.00 0.00 0.15 -1.25 -4.85 113.70 113.92 1iti s SER 40 Ca 0.11 2.12 0.00 0.00 0.70 0.00 0.00 55.95 58.87 1iti s SER 40 Cb 0.12 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1iti s SER 40 CO -0.05 -0.17 0.00 0.29 1.20 0.00 0.00 173.24 174.50 1iti n LYS 41 N 2.05 0.00 -0.05 5.44 5.02 -1.26 -4.95 118.16 124.41 1iti n LYS 41 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1iti n LYS 41 Cb 0.46 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 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 -1.71 0.00 -4.09 4.39 2.03 -1.26 -5.11 116.55 110.80 1iti n ASP 42 Ca 0.00 -1.06 -0.28 0.00 0.52 0.00 0.00 54.79 53.96 1iti n ASP 42 Cb 0.00 -0.01 0.19 0.00 -0.72 0.00 0.00 41.12 40.57 1iti n ASP 42 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1iti n THR 43 N 0.00 0.00 -4.15 5.18 -2.24 -1.26 -5.11 114.28 106.71 1iti n THR 43 Ca 0.00 -1.15 -0.16 0.00 -2.27 0.00 0.00 64.05 60.47 1iti n THR 43 Cb 0.51 -1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.35 1iti n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1iti s THR 44 N -3.73 0.00 0.29 4.28 -4.23 -1.26 -4.99 115.64 106.00 1iti s THR 44 Ca 0.74 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.58 1iti s THR 44 Cb -0.02 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.48 1iti s THR 44 CO 0.51 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.94 1iti h GLU 45 N 2.09 0.34 0.53 3.99 3.07 -1.99 0.50 114.58 123.11 1iti h GLU 45 Ca -0.27 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.55 1iti h GLU 45 Cb 1.24 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1iti h GLU 45 CO 0.38 0.22 -0.43 0.87 -1.40 0.00 0.00 179.01 178.66 1iti h LYS 46 N 0.35 -0.89 0.00 2.33 1.79 -1.98 -0.38 116.57 117.79 1iti h LYS 46 Ca 0.57 0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 59.09 1iti h LYS 46 Cb 1.11 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.96 1iti h LYS 46 CO -0.56 -0.59 -0.03 0.93 -1.08 0.00 0.00 179.45 178.11 1iti h GLU 47 N -0.93 0.00 -0.11 3.15 5.08 -1.63 -2.32 114.58 117.82 1iti h GLU 47 Ca -0.07 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1iti h GLU 47 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1iti h GLU 47 CO 0.01 0.03 -0.03 1.15 -1.00 0.00 0.00 179.01 179.16 1iti h THR 48 N 0.00 1.30 -0.14 1.13 2.02 0.11 -1.11 112.91 116.22 1iti h THR 48 Ca -0.00 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 1iti h THR 48 Cb 0.12 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1iti h THR 48 CO 0.00 0.28 -0.21 -0.26 0.37 0.00 0.00 175.52 175.71 1iti h PHE 49 N -0.10 0.25 0.23 3.16 0.04 -0.58 -1.81 116.94 118.13 1iti h PHE 49 Ca 0.03 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1iti h PHE 49 Cb 0.46 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1iti h PHE 49 CO 0.06 0.44 -0.11 0.00 -0.60 0.00 0.00 178.31 178.09 1iti h ARG 51 N -0.53 0.42 0.19 0.00 3.08 -1.24 0.17 114.38 116.48 1iti h ARG 51 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1iti h ARG 51 Cb 0.24 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1iti h ARG 51 CO 0.05 0.28 -0.09 0.00 -1.07 0.00 0.00 179.97 179.14 1iti h ALA 52 N 1.75 -0.26 -0.65 0.04 0.00 -1.34 -2.57 119.26 116.23 1iti h ALA 52 Ca 0.62 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.47 1iti h ALA 52 Cb 1.22 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1iti h ALA 52 CO -0.54 -0.61 0.41 0.00 0.00 0.00 0.00 179.25 178.51 1iti h ALA 53 N 0.47 0.84 -0.74 0.00 0.00 0.33 -1.96 119.26 118.20 1iti h ALA 53 Ca -0.03 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1iti h ALA 53 Cb 0.25 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1iti h ALA 53 CO 0.04 0.18 0.21 1.15 0.00 0.00 0.00 179.25 180.83 1iti h THR 54 N 0.81 0.54 0.82 0.00 2.02 -0.51 0.75 112.91 117.33 1iti h THR 54 Ca 0.26 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1iti h THR 54 Cb -0.00 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1iti h THR 54 CO -0.10 0.06 -0.39 0.58 0.37 0.00 0.00 175.52 176.04 1iti h VAL 55 N 0.30 0.02 -1.22 3.16 2.07 -0.97 -2.48 116.25 117.13 1iti h VAL 55 Ca 0.42 -0.19 0.35 0.00 0.82 0.00 0.00 66.70 68.10 1iti h VAL 55 Cb 0.71 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1iti h VAL 55 CO -0.49 0.00 0.86 -0.07 0.02 0.00 0.00 177.57 177.89 1iti h LEU 56 N -1.28 0.11 0.60 2.57 3.38 -0.92 -0.36 115.31 119.42 1iti h LEU 56 Ca -0.11 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1iti h LEU 56 Cb 0.85 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1iti h LEU 56 CO 0.18 0.01 -0.29 0.03 0.09 0.00 0.00 178.44 178.46 1iti h ARG 57 N 0.08 -0.78 0.00 1.13 3.08 -0.43 -2.23 114.38 115.24 1iti h ARG 57 Ca 0.61 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.72 1iti h ARG 57 Cb 2.24 0.18 0.00 0.00 0.08 0.00 0.00 29.97 32.47 1iti h ARG 57 CO -0.09 -0.52 0.00 0.00 -1.07 0.00 0.00 179.97 178.29 1iti n GLN 58 N -4.52 0.19 0.00 0.04 10.64 -0.44 -1.62 117.38 121.68 1iti n GLN 58 Ca -0.10 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1iti n GLN 58 Cb 0.32 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.20 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 -1.13 0.00 0.92 2.61 7.35 -0.27 -2.91 117.46 124.03 1iti n PHE 59 Ca 0.05 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.84 1iti n PHE 59 Cb 0.04 -0.33 0.49 0.00 0.35 0.00 0.00 39.48 40.03 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1iti n TYR 60 N -1.97 0.00 -0.01 -5.13 0.18 -1.00 -1.34 117.16 107.90 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 -0.30 -0.14 0.00 -0.38 0.00 0.00 39.34 38.52 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 -1.30 2.11 0.05 9.48 7.64 -0.64 -2.82 113.62 128.15 1iti n SER 61 Ca 0.09 0.20 0.12 0.00 1.01 0.00 0.00 58.87 60.28 1iti n SER 61 Cb 0.16 -0.84 0.13 0.00 -1.01 0.00 0.00 64.21 62.65 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 -3.50 0.44 -0.09 1.43 8.25 -1.14 -4.03 115.22 116.57 1iti n HIS 62 Ca -0.33 0.13 -0.23 0.00 -0.26 0.00 0.00 57.72 57.03 1iti n HIS 62 Cb 1.03 -0.57 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 1iti n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1iti n HIS 63 N -2.04 0.82 -0.32 4.41 8.25 -0.45 -3.23 115.22 122.66 1iti n HIS 63 Ca 0.03 0.30 0.17 0.00 -0.26 0.00 0.00 57.72 57.96 1iti n HIS 63 Cb 0.43 -1.09 0.36 0.00 1.12 0.00 0.00 29.99 30.82 1iti n HIS 63 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1iti h GLU 64 N -0.75 0.43 0.00 -0.41 4.57 -1.70 0.90 114.58 117.63 1iti h GLU 64 Ca -0.44 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 57.60 1iti h GLU 64 Cb 1.53 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.01 1iti h GLU 64 CO -0.19 0.28 -0.53 0.87 -1.18 0.00 0.00 179.01 178.26 1iti h LYS 65 N 0.44 0.00 -6.87 1.92 1.57 -1.73 -3.44 116.57 108.46 1iti h LYS 65 Ca 0.62 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.93 1iti h LYS 65 Cb 1.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1iti h LYS 65 CO -0.53 0.53 0.33 0.34 -0.57 0.00 0.00 179.45 179.55 1iti s ASP 66 N -6.50 7.32 -0.26 0.86 -1.08 0.31 -4.93 116.67 112.39 1iti s ASP 66 Ca 0.02 1.81 -0.03 0.00 -0.52 0.00 0.00 52.55 53.83 1iti s ASP 66 Cb 0.09 -2.57 0.01 0.00 -1.46 0.00 0.00 42.92 38.99 1iti s ASP 66 CO 0.73 -0.07 2.70 1.07 0.52 0.00 0.00 175.17 180.13 1iti n THR 67 N 0.55 2.95 -0.07 1.71 5.66 -1.26 -4.37 114.28 119.46 1iti n THR 67 Ca 0.02 -2.00 -0.06 0.00 -3.05 0.00 0.00 64.05 58.96 1iti n THR 67 Cb 0.50 -1.62 -0.02 0.00 -1.55 0.00 0.00 70.33 67.64 1iti n THR 67 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1iti n ARG 68 N 1.22 0.40 -0.68 1.09 1.74 -1.26 -4.45 116.66 114.71 1iti n ARG 68 Ca 0.37 0.31 -0.01 0.00 -0.77 0.00 0.00 57.85 57.74 1iti n ARG 68 Cb 0.64 -1.37 0.23 0.00 -1.02 0.00 0.00 32.46 30.94 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 0.12 2.32 0.00 0.00 4.77 -1.26 -4.82 117.00 118.13 1iti n LEU 70 Ca 0.25 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1iti n LEU 70 Cb 1.01 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1iti n LEU 70 CO 0.28 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1iti n GLY 71 N 1.75 -0.33 0.00 -0.72 0.00 -1.26 -4.15 105.19 100.48 1iti n GLY 71 Ca -0.35 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 4.04 0.95 -0.58 4.61 0.00 -1.26 -4.98 120.51 123.30 1iti n ALA 72 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1iti n ALA 72 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.61 1iti n ALA 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1iti n THR 73 N -1.01 0.00 0.03 0.00 -1.04 -1.26 -4.83 114.28 106.16 1iti n THR 73 Ca 0.00 -0.11 -0.01 0.00 -2.04 0.00 0.00 64.05 61.89 1iti n THR 73 Cb 0.00 -0.52 -0.09 0.00 -1.82 0.00 0.00 70.33 67.90 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iti n ALA 74 N -4.44 1.90 0.09 2.41 0.00 -1.26 -3.39 120.51 115.83 1iti n ALA 74 Ca 0.04 -0.55 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 1iti n ALA 74 Cb 0.46 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 0.42 0.00 0.00 3.07 -2.00 -3.20 115.11 113.40 1iti h GLN 75 Ca -0.17 -0.57 -0.10 0.00 0.09 0.00 0.00 58.65 57.90 1iti h GLN 75 Cb 1.61 0.19 -0.01 0.00 0.08 0.00 0.00 27.48 29.34 1iti h GLN 75 CO 0.05 1.22 -0.48 1.96 0.09 0.00 0.00 178.83 181.67 1iti h GLN 76 N 0.19 0.00 -0.39 0.06 4.20 -1.89 -1.31 115.11 115.96 1iti h GLN 76 Ca -0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1iti h GLN 76 Cb 1.82 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 1iti h GLN 76 CO 0.20 0.48 0.12 0.35 -0.67 0.00 0.00 178.83 179.31 1iti h PHE 77 N 0.00 0.63 0.07 2.96 3.57 -1.56 -1.73 116.94 120.87 1iti h PHE 77 Ca -0.00 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.43 1iti h PHE 77 Cb 0.96 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1iti h PHE 77 CO 0.00 0.59 -0.03 1.25 -2.23 0.00 0.00 178.31 177.89 1iti h HIS 78 N 0.48 -0.09 -0.72 0.41 2.76 -1.54 -2.75 115.15 113.69 1iti h HIS 78 Ca 0.12 -0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.50 1iti h HIS 78 Cb 0.26 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 1iti h HIS 78 CO 0.01 0.40 0.78 -0.09 -1.30 0.00 0.00 177.93 177.73 1iti h ARG 79 N -0.95 0.00 0.01 5.26 2.43 -1.29 -0.22 114.38 119.61 1iti h ARG 79 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1iti h ARG 79 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1iti h ARG 79 CO 0.02 0.00 -0.00 1.25 -1.51 0.00 0.00 179.97 179.72 1iti h HIS 80 N 0.00 -0.01 -0.83 2.20 2.76 -1.30 -3.14 115.15 114.83 1iti h HIS 80 Ca 0.34 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.70 1iti h HIS 80 Cb 1.91 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.75 1iti h HIS 80 CO 0.00 0.37 0.30 0.87 -1.30 0.00 0.00 177.93 178.17 1iti h LYS 81 N -1.00 0.34 -0.45 5.26 1.57 -0.77 0.16 116.57 121.68 1iti h LYS 81 Ca -0.00 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1iti h LYS 81 Cb 0.38 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1iti h LYS 81 CO 0.00 0.22 0.17 1.96 -0.57 0.00 0.00 179.45 181.23 1iti h GLN 82 N 0.35 0.33 0.57 3.15 4.20 -1.39 -1.43 115.11 120.89 1iti h GLN 82 Ca 0.50 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.17 1iti h GLN 82 Cb 0.90 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1iti h GLN 82 CO -0.52 0.22 -0.48 1.25 -0.67 0.00 0.00 178.83 178.62 1iti h LEU 83 N 0.34 -1.29 -1.12 1.46 6.46 -0.65 -0.45 115.31 120.06 1iti h LEU 83 Ca 0.21 0.09 0.28 0.00 -0.12 0.00 0.00 57.88 58.34 1iti h LEU 83 Cb 0.20 0.41 -0.12 0.00 -0.73 0.00 0.00 40.66 40.42 1iti h LEU 83 CO -0.21 -0.67 0.63 0.40 -0.62 0.00 0.00 178.44 177.97 1iti h ILE 84 N -1.03 0.46 -0.39 4.05 1.08 -1.11 0.30 117.51 120.87 1iti h ILE 84 Ca -0.07 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 1iti h ILE 84 Cb 0.88 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1iti h ILE 84 CO -0.01 0.08 0.05 -0.09 -0.69 0.00 0.00 178.15 177.49 1iti h ARG 85 N 0.45 0.64 -0.29 2.37 2.43 -0.23 -0.72 114.38 119.04 1iti h ARG 85 Ca 0.66 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.71 1iti h ARG 85 Cb 1.47 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.89 1iti h ARG 85 CO -0.45 0.71 -0.09 0.74 -1.51 0.00 0.00 179.97 179.36 1iti h PHE 86 N 0.49 -0.21 0.58 2.20 0.04 0.12 -0.74 116.94 119.41 1iti h PHE 86 Ca 0.12 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 1iti h PHE 86 Cb 0.38 0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.67 1iti h PHE 86 CO 0.03 -0.15 -0.28 -0.07 -0.60 0.00 0.00 178.31 177.23 1iti h LEU 87 N -0.03 -0.66 -0.88 1.54 3.38 -1.30 -1.84 115.31 115.51 1iti h LEU 87 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1iti h LEU 87 Cb 0.25 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1iti h LEU 87 CO -0.32 -0.34 0.48 0.50 0.09 0.00 0.00 178.44 178.86 1iti h LYS 88 N -1.00 0.00 0.00 1.13 3.64 -0.88 0.45 116.57 119.92 1iti h LYS 88 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1iti h LYS 88 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1iti h LYS 88 CO 0.13 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.18 1iti n ARG 89 N -2.27 0.00 0.31 1.90 0.63 -0.31 -3.94 116.66 112.99 1iti n ARG 89 Ca -0.01 0.16 0.16 0.00 -0.92 0.00 0.00 57.85 57.23 1iti n ARG 89 Cb 0.50 -0.56 0.83 0.00 0.45 0.00 0.00 32.46 33.68 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 -0.71 6.15 8.10 -1.10 -0.01 115.31 127.75 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 0.34 -0.78 -4.11 0.00 0.00 178.44 173.89 1iti h ASP 91 N 0.00 0.92 0.87 0.17 1.82 -0.26 -1.78 116.42 118.17 1iti h ASP 91 Ca 0.00 -0.13 -0.23 0.00 -0.39 0.00 0.00 57.03 56.28 1iti h ASP 91 Cb 0.51 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.25 1iti h ASP 91 CO 0.00 0.79 -1.15 0.03 -1.61 0.00 0.00 179.24 177.30 1iti h ARG 92 N 0.99 0.03 -0.33 0.28 2.47 -1.12 -3.17 114.38 113.51 1iti h ARG 92 Ca 0.24 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 1iti h ARG 92 Cb 0.11 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1iti h ARG 92 CO -0.03 0.93 0.21 -0.91 0.56 0.00 0.00 179.97 180.73 1iti h ASN 93 N 0.01 0.39 0.05 7.04 4.21 -1.16 0.24 115.58 126.35 1iti h ASN 93 Ca -0.07 -0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 1iti h ASN 93 Cb 1.83 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.93 1iti h ASN 93 CO 0.13 0.31 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.48 1iti h LEU 94 N 0.44 -0.05 -0.55 1.61 3.38 -1.42 -2.37 115.31 116.34 1iti h LEU 94 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1iti h LEU 94 Cb -0.02 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1iti h LEU 94 CO -0.02 -0.03 0.41 1.87 0.09 0.00 0.00 178.44 180.76 1iti n TRP 95 N -2.20 0.28 0.02 1.13 -0.00 -1.20 -1.85 117.44 113.61 1iti n TRP 95 Ca -0.01 0.15 -0.01 0.00 -0.00 0.00 0.00 57.50 57.63 1iti n TRP 95 Cb 0.02 -0.45 -0.00 0.00 -0.00 0.00 0.00 31.31 30.88 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 -0.05 1.15 5.87 0.00 -0.42 -3.05 103.07 106.57 1iti h GLY 96 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1iti h GLY 96 CO 0.00 -0.02 0.00 1.47 0.00 0.00 0.00 176.54 177.99 1iti n LEU 97 N -2.36 0.00 0.00 3.11 -0.00 -0.77 -3.06 117.00 113.92 1iti n LEU 97 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1iti n LEU 97 Cb 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1iti n LEU 97 CO 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.33 1iti n ALA 98 N -1.07 0.00 -1.55 1.47 0.00 -0.99 -5.05 120.51 113.31 1iti n ALA 98 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 1iti n ALA 98 Cb 0.00 0.00 0.00 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 2.06 -0.56 2.93 0.00 0.00 -1.16 -5.08 105.19 103.37 1iti n GLY 99 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.46 -0.23 0.00 0.99 1.43 -1.26 -5.08 118.68 113.07 1iti s LEU 100 Ca 0.01 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1iti s LEU 100 Cb -0.00 0.57 0.00 0.00 0.03 0.00 0.00 46.19 46.79 1iti s LEU 100 CO 0.03 -0.26 0.28 -3.20 0.23 0.00 0.00 176.35 173.43 1iti n ASN 101 N 5.34 0.00 -4.73 2.29 2.85 -1.26 -4.75 115.26 115.00 1iti n ASN 101 Ca -0.06 0.43 -0.41 0.00 -0.11 0.00 0.00 54.58 54.43 1iti n ASN 101 Cb 0.50 -0.23 -0.04 0.00 1.24 0.00 0.00 39.78 41.24 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1iti s SER 102 N -1.95 7.47 -0.44 1.20 1.04 -1.26 -4.96 113.70 114.79 1iti s SER 102 Ca 0.00 1.76 0.04 0.00 0.48 0.00 0.00 55.95 58.22 1iti s SER 102 Cb 0.00 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.81 1iti s SER 102 CO 0.00 -0.06 1.03 0.00 0.98 0.00 0.00 173.24 175.19 1iti s PRO 104 N 0.47 2.78 0.25 0.00 0.05 -1.26 -4.88 135.00 132.41 1iti s PRO 104 Ca 0.29 1.91 -0.12 0.00 0.05 0.00 0.00 61.00 63.13 1iti s PRO 104 Cb 0.23 -1.89 -0.08 0.00 0.05 0.00 0.00 34.50 32.81 1iti s PRO 104 CO -0.18 -1.38 0.61 0.54 0.05 0.00 0.00 177.00 176.64 1iti s VAL 105 N -1.54 4.84 0.00 -0.36 0.11 -1.26 -4.99 120.40 117.20 1iti s VAL 105 Ca 0.79 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 1iti s VAL 105 Cb -0.33 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1iti s VAL 105 CO 0.36 -0.05 0.00 0.29 -3.33 0.00 0.00 175.10 172.37 1iti n LYS 106 N -0.05 0.00 -4.06 1.54 5.02 -1.26 -5.13 118.16 114.22 1iti n LYS 106 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1iti n LYS 106 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.48 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1iti s GLU 107 N 1.08 1.71 -0.09 1.97 2.02 -1.26 -5.18 118.70 118.95 1iti s GLU 107 Ca 0.00 -1.56 -0.32 0.00 0.02 0.00 0.00 54.97 53.11 1iti s GLU 107 Cb 0.00 0.44 0.14 0.00 0.10 0.00 0.00 34.13 34.81 1iti s GLU 107 CO 0.00 -0.70 1.42 0.00 0.02 0.00 0.00 175.26 176.00 1iti s ALA 108 N -3.50 -2.56 0.00 5.21 0.00 -1.26 -4.70 121.76 114.94 1iti s ALA 108 Ca 0.28 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.04 1iti s ALA 108 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.49 1iti s ALA 108 CO 0.15 -1.08 0.00 -0.25 0.00 0.00 0.00 175.76 174.58 1iti n ASP 109 N -0.60 0.00 -3.83 0.00 8.00 -1.26 -4.85 116.55 114.02 1iti n ASP 109 Ca -0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.33 1iti n ASP 109 Cb 0.63 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.65 1iti n ASP 109 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1iti s GLN 110 N 0.93 0.73 -0.19 -1.24 1.11 -1.26 -4.28 119.66 115.46 1iti s GLN 110 Ca 0.00 -0.64 -0.15 0.00 0.01 0.00 0.00 55.36 54.58 1iti s GLN 110 Cb 0.00 0.31 0.05 0.00 -1.01 0.00 0.00 33.01 32.36 1iti s GLN 110 CO 0.00 -0.22 0.49 -1.54 0.01 0.00 0.00 175.29 174.03 1iti s SER 111 N -2.16 -0.55 0.23 5.90 1.04 -0.48 -4.62 113.70 113.06 1iti s SER 111 Ca -0.04 1.00 -0.30 0.00 0.48 0.00 0.00 55.95 57.10 1iti s SER 111 Cb -0.00 0.97 -0.09 0.00 0.10 0.00 0.00 66.02 67.00 1iti s SER 111 CO -0.05 -0.18 1.03 0.42 0.98 0.00 0.00 173.24 175.44 1iti s THR 112 N 0.65 3.87 0.59 2.02 -4.23 -1.26 -0.58 115.64 116.69 1iti s THR 112 Ca -0.03 1.80 0.30 0.00 -1.18 0.00 0.00 61.69 62.58 1iti s THR 112 Cb -0.05 -4.14 0.42 0.00 1.34 0.00 0.00 72.50 70.07 1iti s THR 112 CO -0.04 0.40 1.69 0.25 -0.54 0.00 0.00 174.62 176.37 1iti h LEU 113 N 4.32 0.00 0.00 4.79 5.85 -1.73 0.20 115.31 128.74 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 -3.62 0.00 -0.33 1.25 2.13 -1.26 -1.65 120.64 117.16 1iti n GLU 114 Ca 0.16 0.16 0.25 0.00 0.66 0.00 0.00 57.16 58.39 1iti n GLU 114 Cb 1.05 -0.86 0.54 0.00 0.27 0.00 0.00 31.44 32.44 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 0.39 -0.75 4.31 2.35 -1.87 0.44 115.58 120.45 1iti h ASN 115 Ca 0.00 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1iti h ASN 115 Cb 0.00 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1iti h ASN 115 CO 0.00 0.06 0.40 0.15 -1.65 0.00 0.00 177.43 176.38 1iti h PHE 116 N 0.33 1.05 0.00 1.19 3.04 -0.69 -0.88 116.94 120.99 1iti h PHE 116 Ca 0.61 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.52 1iti h PHE 116 Cb 1.65 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.82 1iti h PHE 116 CO -0.00 0.75 0.00 -0.07 -2.02 0.00 0.00 178.31 176.96 1iti h LEU 117 N 1.04 0.00 0.01 0.59 3.38 0.81 -2.44 115.31 118.70 1iti h LEU 117 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1iti h LEU 117 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1iti h LEU 117 CO -0.04 0.00 -0.01 -0.08 0.09 0.00 0.00 178.44 178.41 1iti h GLU 118 N 0.00 -0.01 -1.00 1.13 4.57 -0.40 -2.53 114.58 116.34 1iti h GLU 118 Ca 0.00 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 1iti h GLU 118 Cb 0.53 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.02 1iti h GLU 118 CO 0.00 -0.01 0.62 0.07 -1.18 0.00 0.00 179.01 178.51 1iti h ARG 119 N -0.61 0.83 0.89 1.92 0.11 -1.41 -1.08 114.38 115.02 1iti h ARG 119 Ca -0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 59.99 1iti h ARG 119 Cb 0.01 -0.19 0.01 0.00 1.11 0.00 0.00 29.97 30.91 1iti h ARG 119 CO 0.00 0.55 -0.43 1.25 0.10 0.00 0.00 179.97 181.44 1iti h LEU 120 N 0.85 -1.01 -1.05 0.08 6.46 -1.56 0.31 115.31 119.39 1iti h LEU 120 Ca 0.54 0.03 0.26 0.00 -0.12 0.00 0.00 57.88 58.59 1iti h LEU 120 Cb 0.74 0.26 -0.12 0.00 -0.73 0.00 0.00 40.66 40.81 1iti h LEU 120 CO -0.33 -0.68 0.60 0.50 -0.62 0.00 0.00 178.44 177.92 1iti h LYS 121 N -1.28 0.51 0.30 1.25 3.64 -0.94 -0.36 116.57 119.70 1iti h LYS 121 Ca -0.12 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1iti h LYS 121 Cb 0.92 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1iti h LYS 121 CO 0.20 0.34 -0.15 1.15 -2.27 0.00 0.00 179.45 178.72 1iti h THR 122 N 0.53 0.71 -0.83 1.00 2.02 -0.84 -2.71 112.91 112.78 1iti h THR 122 Ca 0.65 -0.54 0.19 0.00 0.77 0.00 0.00 66.41 67.48 1iti h THR 122 Cb 1.32 0.99 -0.12 0.00 -1.74 0.00 0.00 68.15 68.60 1iti h THR 122 CO -0.47 0.11 0.31 0.40 0.37 0.00 0.00 175.52 176.24 1iti h ILE 123 N -0.72 0.51 0.24 3.11 2.04 0.66 -1.40 117.51 121.95 1iti h ILE 123 Ca -0.04 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1iti h ILE 123 Cb 0.49 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1iti h ILE 123 CO 0.07 0.07 -0.20 0.24 0.00 0.00 0.00 178.15 178.32 1iti h MET 124 N 0.37 -0.42 -0.11 2.37 2.86 -1.08 1.00 114.93 119.91 1iti h MET 124 Ca 0.50 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 58.20 1iti h MET 124 Cb 0.89 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.64 1iti h MET 124 CO -0.51 -0.28 0.64 0.00 1.06 0.00 0.00 176.91 177.83 1iti h ARG 125 N -0.43 0.00 0.07 1.72 3.08 -1.08 0.68 114.38 118.42 1iti h ARG 125 Ca -0.03 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1iti h ARG 125 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.42 1iti h ARG 125 CO -0.01 0.00 -0.58 1.49 -1.07 0.00 0.00 179.97 179.81 1iti h GLU 126 N 0.00 0.15 -0.00 0.04 4.81 0.07 -3.30 114.58 116.35 1iti h GLU 126 Ca 0.05 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1iti h GLU 126 Cb 1.34 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1iti h GLU 126 CO -0.00 1.13 -0.11 1.63 -0.73 0.00 0.00 179.01 180.93 1iti n LYS 127 N -4.32 0.28 0.00 1.92 5.02 0.99 -3.58 118.16 118.47 1iti n LYS 127 Ca -0.15 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 1iti n LYS 127 Cb 0.68 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 1iti n LYS 127 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1iti n TYR 128 N -1.30 0.00 -2.47 2.13 9.36 0.20 -4.73 117.16 120.34 1iti n TYR 128 Ca 0.10 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.89 1iti n TYR 128 Cb 0.30 -0.03 -0.02 0.00 -0.63 0.00 0.00 39.34 38.96 1iti n TYR 128 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1iti s SER 129 N -0.93 6.80 0.00 2.98 0.15 -1.23 -4.77 113.70 116.70 1iti s SER 129 Ca 0.00 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1iti s SER 129 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1iti s SER 129 CO 0.00 -0.96 0.00 2.29 1.20 0.00 0.00 173.24 175.77 1iti n LYS 130 N 7.04 0.00 0.33 5.44 2.85 -1.26 -4.95 118.16 127.61 1iti n LYS 130 Ca 0.14 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.50 1iti n LYS 130 Cb 0.46 0.00 0.52 0.00 -0.65 0.00 0.00 35.03 35.37 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 -2.73 5.33 0.00 0.00 7.64 -1.26 -5.08 113.62 117.52 1iti n SER 132 Ca -0.01 -3.02 0.16 0.00 1.01 0.00 0.00 58.87 57.01 1iti n SER 132 Cb 0.60 -0.90 0.94 0.00 -1.01 0.00 0.00 64.21 63.83 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79