#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 2.47 -0.04 -1.84 0.00 -1.26 -5.03 121.76 116.05 1iti s ALA 2 Ca 0.00 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 1iti s ALA 2 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.68 1iti s ALA 2 CO 0.00 -1.33 0.08 -1.83 0.00 0.00 0.00 175.76 172.68 1iti s GLU 3 N -3.41 -0.01 0.00 0.00 -1.05 -1.26 -4.99 118.70 107.99 1iti s GLU 3 Ca 0.78 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 1iti s GLU 3 Cb -0.32 -0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.07 1iti s GLU 3 CO 0.36 -0.23 0.00 0.00 0.95 0.00 0.00 175.26 176.34 1iti n ALA 4 N 4.63 0.50 -2.61 -0.84 0.00 -1.26 -5.04 120.51 115.89 1iti n ALA 4 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1iti n ALA 4 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 1iti n ALA 4 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1iti s HIS 5 N -0.90 3.06 -1.32 0.00 3.76 -1.26 -4.94 115.29 113.68 1iti s HIS 5 Ca 0.00 -0.28 -0.08 0.00 -0.15 0.00 0.00 55.06 54.54 1iti s HIS 5 Cb 0.00 -3.40 -0.09 0.00 1.11 0.00 0.00 32.58 30.20 1iti s HIS 5 CO 0.00 -0.94 2.75 1.63 -0.85 0.00 0.00 174.74 177.33 1iti n LYS 6 N 6.21 3.13 -3.29 1.40 5.02 -1.26 -4.88 118.16 124.48 1iti n LYS 6 Ca -0.04 -1.90 -0.39 0.00 -2.02 0.00 0.00 58.31 53.96 1iti n LYS 6 Cb 0.47 -2.64 -0.07 0.00 -0.02 0.00 0.00 35.03 32.77 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iti s ASP 8 N 1.11 7.32 0.01 0.00 -1.08 -1.26 -4.96 116.67 117.81 1iti s ASP 8 Ca 0.22 1.57 0.17 0.00 -0.52 0.00 0.00 52.55 54.00 1iti s ASP 8 Cb -0.15 -2.47 -0.17 0.00 -1.46 0.00 0.00 42.92 38.66 1iti s ASP 8 CO 0.09 0.21 0.67 0.00 0.52 0.00 0.00 175.17 176.66 1iti n ILE 9 N 1.54 1.10 -0.16 4.11 3.06 -1.26 -4.06 119.36 123.69 1iti n ILE 9 Ca -0.06 -0.70 0.03 0.00 -2.50 0.00 0.00 62.75 59.53 1iti n ILE 9 Cb 0.49 -0.62 0.32 0.00 0.54 0.00 0.00 39.64 40.37 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 1.11 0.00 9.51 2.02 -2.00 0.16 112.91 123.71 1iti h THR 10 Ca -0.20 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1iti h THR 10 Cb 1.62 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1iti h THR 10 CO 0.04 0.15 0.00 -0.07 0.37 0.00 0.00 175.52 176.01 1iti h LEU 11 N 0.83 0.00 0.00 2.58 3.38 -1.99 -2.18 115.31 117.93 1iti h LEU 11 Ca 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1iti h LEU 11 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1iti h LEU 11 CO -0.07 0.00 -0.27 -0.61 0.09 0.00 0.00 178.44 177.58 1iti h GLN 12 N 0.00 0.00 0.00 1.13 4.15 -0.87 -2.69 115.11 116.83 1iti h GLN 12 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1iti h GLN 12 Cb 0.37 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 1iti h GLN 12 CO 0.00 0.45 -0.06 1.05 -1.93 0.00 0.00 178.83 178.33 1iti h GLU 13 N -1.00 0.00 0.20 1.69 4.11 -1.45 -2.55 114.58 115.58 1iti h GLU 13 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 1iti h GLU 13 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1iti h GLU 13 CO -0.03 0.06 -0.10 0.82 0.07 0.00 0.00 179.01 179.84 1iti h ILE 14 N 0.00 0.49 -0.56 -1.06 2.04 -1.50 -2.44 117.51 114.48 1iti h ILE 14 Ca -0.00 -1.02 0.11 0.00 1.00 0.00 0.00 64.86 64.95 1iti h ILE 14 Cb 0.14 0.85 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 1iti h ILE 14 CO 0.01 0.14 -0.25 0.40 0.00 0.00 0.00 178.15 178.45 1iti h ILE 15 N -0.98 0.28 -0.91 -0.67 2.04 -1.29 0.28 117.51 116.25 1iti h ILE 15 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1iti h ILE 15 Cb 0.43 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1iti h ILE 15 CO 0.05 0.00 0.58 0.11 0.00 0.00 0.00 178.15 178.88 1iti h LYS 16 N -0.11 1.02 0.02 2.37 1.57 -1.55 -2.18 116.57 117.71 1iti h LYS 16 Ca 0.25 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1iti h LYS 16 Cb 0.51 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1iti h LYS 16 CO -0.63 0.68 -0.14 1.15 -0.57 0.00 0.00 179.45 179.94 1iti h THR 17 N 1.05 0.67 -0.64 -0.16 2.02 0.02 -1.86 112.91 114.00 1iti h THR 17 Ca 0.39 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.68 1iti h THR 17 Cb 0.16 0.67 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 1iti h THR 17 CO -0.17 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 175.88 1iti h LEU 18 N -0.24 0.22 -0.96 2.58 3.38 -0.64 0.25 115.31 119.90 1iti h LEU 18 Ca 0.04 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1iti h LEU 18 Cb 0.29 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1iti h LEU 18 CO -0.12 0.12 0.60 0.78 0.09 0.00 0.00 178.44 179.91 1iti h ASN 19 N 0.40 0.89 -0.28 -0.43 -0.26 -0.82 0.81 115.58 115.90 1iti h ASN 19 Ca 0.33 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 56.13 1iti h ASN 19 Cb 0.43 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 1iti h ASN 19 CO -0.33 0.50 0.11 0.28 -1.06 0.00 0.00 177.43 176.93 1iti h SER 20 N 0.99 0.13 -0.16 5.81 0.02 -0.18 -2.20 113.55 117.96 1iti h SER 20 Ca 0.46 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1iti h SER 20 Cb 0.40 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1iti h SER 20 CO -0.24 0.11 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.48 1iti h LEU 21 N 0.24 0.28 -1.81 5.07 3.38 -0.91 -2.54 115.31 119.01 1iti h LEU 21 Ca 0.12 -0.31 0.33 0.00 0.09 0.00 0.00 57.88 58.11 1iti h LEU 21 Cb 0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1iti h LEU 21 CO -0.11 0.52 0.81 0.71 0.09 0.00 0.00 178.44 180.45 1iti h THR 22 N 0.03 0.42 -0.03 0.22 1.35 -0.57 1.03 112.91 115.36 1iti h THR 22 Ca 0.04 -0.04 -0.15 0.00 -0.55 0.00 0.00 66.41 65.72 1iti h THR 22 Cb 0.38 0.31 -0.02 0.00 -1.73 0.00 0.00 68.15 67.09 1iti h THR 22 CO 0.01 0.02 -0.65 -0.33 -0.25 0.00 0.00 175.52 174.32 1iti h GLU 23 N 0.11 0.11 -6.33 4.72 5.08 -0.97 -3.44 114.58 113.86 1iti h GLU 23 Ca 0.59 -0.09 -0.55 0.00 -1.00 0.00 0.00 59.36 58.31 1iti h GLU 23 Cb 2.09 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.32 1iti h GLU 23 CO -0.10 0.72 -0.21 -1.14 -1.00 0.00 0.00 179.01 177.29 1iti s GLN 24 N -3.60 3.68 -0.38 2.33 2.00 0.36 -5.06 119.66 118.99 1iti s GLN 24 Ca -0.02 0.05 0.03 0.00 -2.00 0.00 0.00 55.36 53.42 1iti s GLN 24 Cb 0.12 -2.73 0.16 0.00 0.80 0.00 0.00 33.01 31.36 1iti s GLN 24 CO 0.78 0.36 0.39 0.15 -0.50 0.00 0.00 175.29 176.47 1iti s LYS 25 N -2.93 0.67 0.57 1.67 1.02 -1.26 -4.90 119.74 114.58 1iti s LYS 25 Ca 0.44 -0.91 0.01 0.00 0.02 0.00 0.00 55.97 55.53 1iti s LYS 25 Cb -0.11 -0.71 0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1iti s LYS 25 CO 0.25 -1.21 0.80 0.95 -0.92 0.00 0.00 175.35 175.22 1iti s THR 26 N 1.36 2.61 0.66 2.17 -4.23 -1.26 -4.94 115.64 112.02 1iti s THR 26 Ca 0.18 -0.65 0.40 0.00 -1.18 0.00 0.00 61.69 60.44 1iti s THR 26 Cb -0.14 -2.95 0.41 0.00 1.34 0.00 0.00 72.50 71.15 1iti s THR 26 CO -0.03 0.00 2.26 0.17 -0.54 0.00 0.00 174.62 176.48 1iti h LEU 27 N 0.01 0.00 0.00 4.79 8.10 -1.98 0.50 115.31 126.73 1iti h LEU 27 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.58 1iti h LEU 27 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 1iti h LEU 27 CO 0.51 0.00 0.00 0.00 -4.11 0.00 0.00 178.44 174.84 1iti n THR 29 N -0.93 0.00 0.06 0.00 -2.24 0.17 -3.89 114.28 107.45 1iti n THR 29 Ca 0.07 -0.20 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1iti n THR 29 Cb 0.03 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 1iti n THR 29 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1iti h GLU 30 N 1.92 0.00 -6.86 -0.78 4.57 -1.44 -3.37 114.58 108.62 1iti h GLU 30 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 1iti h GLU 30 Cb 0.60 0.00 0.09 0.00 -0.16 0.00 0.00 28.75 29.28 1iti h GLU 30 CO 0.00 0.17 0.84 -0.51 -1.18 0.00 0.00 179.01 178.33 1iti s LEU 31 N -5.62 4.33 -0.23 1.64 1.43 -1.25 -4.87 118.68 114.11 1iti s LEU 31 Ca -0.02 2.99 -0.20 0.00 -1.03 0.00 0.00 54.13 55.87 1iti s LEU 31 Cb 0.09 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 1iti s LEU 31 CO 0.80 -0.90 0.60 0.42 0.23 0.00 0.00 176.35 177.50 1iti s THR 32 N -0.43 5.02 0.44 5.49 -4.23 -1.26 -3.44 115.64 117.23 1iti s THR 32 Ca 0.59 1.09 0.01 0.00 -1.18 0.00 0.00 61.69 62.20 1iti s THR 32 Cb -0.47 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.46 1iti s THR 32 CO 0.54 0.07 0.65 0.68 -0.54 0.00 0.00 174.62 176.02 1iti s VAL 33 N 2.23 3.83 0.17 2.29 -7.23 0.17 -4.82 120.40 117.04 1iti s VAL 33 Ca 0.26 -0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 1iti s VAL 33 Cb -0.16 -3.40 -0.08 0.00 0.56 0.00 0.00 36.38 33.30 1iti s VAL 33 CO 0.09 -0.26 1.18 -0.89 -0.31 0.00 0.00 175.10 174.91 1iti s THR 34 N -2.52 3.66 0.88 5.32 2.01 -1.26 -0.40 115.64 123.33 1iti s THR 34 Ca 0.49 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.73 1iti s THR 34 Cb -0.10 -3.88 0.14 0.00 0.01 0.00 0.00 72.50 68.67 1iti s THR 34 CO 0.37 0.21 1.24 -0.62 -0.69 0.00 0.00 174.62 175.13 1iti s ASP 35 N 0.18 3.78 0.00 3.53 2.15 -1.25 -4.72 116.67 120.35 1iti s ASP 35 Ca 0.53 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.98 1iti s ASP 35 Cb -0.32 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.58 1iti s ASP 35 CO 0.36 -2.33 0.00 2.30 -0.17 0.00 0.00 175.17 175.33 1iti n ILE 36 N -3.52 0.00 1.18 4.11 -5.35 -1.26 -4.77 119.36 109.75 1iti n ILE 36 Ca 0.12 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 1iti n ILE 36 Cb 0.60 0.00 0.61 0.00 -1.74 0.00 0.00 39.64 39.12 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 -1.04 0.00 1.11 4.28 3.72 -1.26 -3.03 117.46 121.23 1iti n PHE 37 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 1iti n PHE 37 Cb 0.00 -0.23 0.30 0.00 -0.94 0.00 0.00 39.48 38.61 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 -1.23 2.11 -2.69 4.37 0.00 -1.26 -3.36 120.51 118.46 1iti n ALA 38 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1iti n ALA 38 Cb 0.17 -1.16 0.11 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 -0.79 1.18 -1.89 0.00 0.00 -1.17 -4.95 120.51 112.89 1iti n ALA 39 Ca 0.08 -1.12 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 1iti n ALA 39 Cb 0.03 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 1iti n ALA 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iti n SER 40 N -0.78 4.85 0.00 0.00 2.88 -1.21 -4.70 113.62 114.66 1iti n SER 40 Ca -0.08 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1iti n SER 40 Cb 0.83 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1iti n SER 40 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1iti n LYS 41 N 4.99 0.00 -0.41 -1.46 4.76 -1.26 -4.59 118.16 120.19 1iti n LYS 41 Ca 0.51 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.95 1iti n LYS 41 Cb 0.36 -0.09 0.16 0.00 -1.84 0.00 0.00 35.03 33.62 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1iti n ASP 42 N -0.56 3.10 -4.68 4.39 9.92 -1.26 -4.85 116.55 122.60 1iti n ASP 42 Ca 0.00 -2.46 -0.39 0.00 -0.53 0.00 0.00 54.79 51.42 1iti n ASP 42 Cb 0.00 -0.59 -0.07 0.00 -0.64 0.00 0.00 41.12 39.82 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1iti s THR 43 N -1.70 5.15 0.68 -3.53 -4.23 -1.26 -5.07 115.64 105.69 1iti s THR 43 Ca 0.24 0.90 -0.02 0.00 -1.18 0.00 0.00 61.69 61.62 1iti s THR 43 Cb 0.18 -3.81 0.09 0.00 1.34 0.00 0.00 72.50 70.30 1iti s THR 43 CO 0.06 0.24 0.95 0.42 -0.54 0.00 0.00 174.62 175.76 1iti s THR 44 N 1.23 2.32 0.30 3.99 -4.23 -1.26 -4.88 115.64 113.11 1iti s THR 44 Ca 0.24 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 1iti s THR 44 Cb -0.15 -2.82 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1iti s THR 44 CO 0.09 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.71 1iti h GLU 45 N -0.44 0.93 0.09 3.99 5.08 -1.98 -0.97 114.58 121.28 1iti h GLU 45 Ca -0.40 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1iti h GLU 45 Cb 1.28 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1iti h GLU 45 CO 0.48 0.62 -0.17 0.87 -1.00 0.00 0.00 179.01 179.81 1iti h LYS 46 N 0.96 -0.32 0.00 2.33 1.79 -1.96 0.72 116.57 120.09 1iti h LYS 46 Ca 0.46 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1iti h LYS 46 Cb 0.45 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1iti h LYS 46 CO -0.22 -0.21 0.00 0.39 -1.08 0.00 0.00 179.45 178.32 1iti n GLU 47 N -5.30 0.15 0.06 3.15 1.02 -0.75 -2.21 120.64 116.76 1iti n GLU 47 Ca -0.06 0.46 -0.20 0.00 -0.02 0.00 0.00 57.16 57.33 1iti n GLU 47 Cb 0.22 -1.83 -0.15 0.00 -0.02 0.00 0.00 31.44 29.66 1iti n GLU 47 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1iti h THR 48 N 0.00 1.49 -0.01 2.62 2.02 0.40 -2.65 112.91 116.77 1iti h THR 48 Ca 0.00 -2.55 -0.12 0.00 0.77 0.00 0.00 66.41 64.50 1iti h THR 48 Cb 0.25 3.19 -0.02 0.00 -1.74 0.00 0.00 68.15 69.83 1iti h THR 48 CO 0.00 0.73 -0.58 -0.26 0.37 0.00 0.00 175.52 175.78 1iti h PHE 49 N -0.33 0.05 0.43 3.16 0.04 -0.92 -2.66 116.94 116.72 1iti h PHE 49 Ca -0.15 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 1iti h PHE 49 Cb 1.69 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.83 1iti h PHE 49 CO 0.19 0.61 -0.21 0.00 -0.60 0.00 0.00 178.31 178.30 1iti h ARG 51 N -1.10 0.33 -0.86 0.00 3.08 -1.54 0.35 114.38 114.65 1iti h ARG 51 Ca -0.06 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1iti h ARG 51 Cb 0.45 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1iti h ARG 51 CO 0.10 0.22 0.55 0.00 -1.07 0.00 0.00 179.97 179.76 1iti h ALA 52 N 1.67 1.14 -0.37 0.04 0.00 -1.50 -2.16 119.26 118.09 1iti h ALA 52 Ca 0.49 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.33 1iti h ALA 52 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1iti h ALA 52 CO -0.52 0.36 0.05 0.00 0.00 0.00 0.00 179.25 179.14 1iti h ALA 53 N 1.37 0.49 -0.71 0.00 0.00 0.17 -2.66 119.26 117.93 1iti h ALA 53 Ca 0.35 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1iti h ALA 53 Cb 0.05 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 17.60 1iti h ALA 53 CO -0.13 0.21 0.16 1.15 0.00 0.00 0.00 179.25 180.64 1iti h THR 54 N 0.46 0.53 0.49 0.00 2.02 -0.50 0.26 112.91 116.18 1iti h THR 54 Ca 0.11 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1iti h THR 54 Cb 0.38 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1iti h THR 54 CO 0.01 0.05 -0.24 0.58 0.37 0.00 0.00 175.52 176.29 1iti h VAL 55 N 0.26 0.00 -1.15 3.16 2.07 -1.25 -2.20 116.25 117.15 1iti h VAL 55 Ca 0.39 -0.04 0.33 0.00 0.82 0.00 0.00 66.70 68.20 1iti h VAL 55 Cb 0.65 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 1iti h VAL 55 CO -0.49 0.00 0.88 -0.07 0.02 0.00 0.00 177.57 177.91 1iti h LEU 56 N -0.71 0.00 0.46 2.57 3.38 -1.11 -0.64 115.31 119.26 1iti h LEU 56 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 56 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1iti h LEU 56 CO 0.11 0.00 -0.22 0.03 0.09 0.00 0.00 178.44 178.45 1iti h ARG 57 N 0.00 -0.59 0.00 1.13 3.08 0.08 -2.40 114.38 115.68 1iti h ARG 57 Ca 0.54 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.63 1iti h ARG 57 Cb 2.30 0.13 0.00 0.00 0.08 0.00 0.00 29.97 32.48 1iti h ARG 57 CO -0.01 -0.39 0.00 0.00 -1.07 0.00 0.00 179.97 178.50 1iti n GLN 58 N -3.99 0.15 -0.01 0.04 10.64 -0.47 -1.50 117.38 122.24 1iti n GLN 58 Ca -0.08 0.11 -0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1iti n GLN 58 Cb 0.24 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.12 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 -0.69 -3.18 116.94 119.25 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 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 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 -2.50 0.00 -0.04 0.41 0.18 -1.00 -2.37 117.16 111.84 1iti n TYR 60 Ca -0.00 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.56 1iti n TYR 60 Cb 0.02 -0.07 -0.13 0.00 -0.38 0.00 0.00 39.34 38.78 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 -1.07 2.05 -0.07 9.48 7.64 -0.56 -3.85 113.62 127.25 1iti n SER 61 Ca 0.21 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.25 1iti n SER 61 Cb 0.14 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.51 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 -3.64 0.93 -0.12 1.43 8.25 -1.20 -4.14 115.22 116.72 1iti n HIS 62 Ca -0.35 0.40 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1iti n HIS 62 Cb 0.97 -0.77 0.01 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.49 -0.65 4.41 3.86 -1.65 0.52 115.15 120.15 1iti h HIS 63 Ca 0.00 0.05 0.19 0.00 -1.16 0.00 0.00 60.37 59.45 1iti h HIS 63 Cb 0.51 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 1iti h HIS 63 CO -0.22 -0.28 0.85 1.49 0.86 0.00 0.00 177.93 180.63 1iti h GLU 64 N -0.12 0.00 0.00 2.45 4.81 -1.68 1.49 114.58 121.53 1iti h GLU 64 Ca 0.20 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1iti h GLU 64 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1iti h GLU 64 CO -0.49 0.00 -1.75 1.63 -0.73 0.00 0.00 179.01 177.67 1iti n LYS 65 N -3.34 0.65 -3.24 1.92 5.02 0.17 -4.91 118.16 114.43 1iti n LYS 65 Ca 0.14 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.13 1iti n LYS 65 Cb 1.07 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 34.36 1iti n LYS 65 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iti s ASP 66 N -5.25 6.73 0.00 4.39 -1.08 0.51 -4.92 116.67 117.04 1iti s ASP 66 Ca -0.06 1.15 -0.01 0.00 -0.52 0.00 0.00 52.55 53.12 1iti s ASP 66 Cb 0.10 -2.32 -0.03 0.00 -1.46 0.00 0.00 42.92 39.21 1iti s ASP 66 CO 0.84 -0.15 1.83 1.07 0.52 0.00 0.00 175.17 179.28 1iti n THR 67 N -0.26 1.76 -0.01 1.71 5.66 -1.26 -4.26 114.28 117.62 1iti n THR 67 Ca 0.02 -0.51 -0.00 0.00 -3.05 0.00 0.00 64.05 60.51 1iti n THR 67 Cb 0.53 -1.48 -0.00 0.00 -1.55 0.00 0.00 70.33 67.83 1iti n THR 67 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 1iti h ARG 68 N 1.75 0.00 -0.92 1.09 -0.00 -1.91 -3.38 114.38 111.00 1iti h ARG 68 Ca 0.02 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.25 1iti h ARG 68 Cb 0.88 0.00 -0.15 0.00 0.00 0.00 0.00 29.97 30.70 1iti h ARG 68 CO 0.03 0.00 0.32 0.00 0.00 0.00 0.00 179.97 180.32 1iti n LEU 70 N -0.32 1.90 0.00 0.00 4.77 -1.26 -4.87 117.00 117.22 1iti n LEU 70 Ca 0.34 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1iti n LEU 70 Cb 1.18 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1iti n LEU 70 CO 0.36 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1iti n GLY 71 N 1.42 0.90 0.00 -0.72 0.00 -1.26 -4.44 105.19 101.09 1iti n GLY 71 Ca -0.29 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 8.60 0.99 -0.83 4.61 0.00 -1.26 -5.08 120.51 127.54 1iti n ALA 72 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 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 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -1.02 0.00 -0.01 0.00 -2.24 -1.26 -4.89 114.28 104.86 1iti n THR 73 Ca 0.00 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 1iti n THR 73 Cb 0.00 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.58 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 -1.47 0.62 -0.59 6.98 0.00 -1.99 -3.13 119.26 119.68 1iti h ALA 74 Ca -0.44 -1.42 -0.07 0.00 0.00 0.00 0.00 54.91 52.99 1iti h ALA 74 Cb 1.29 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1iti h ALA 74 CO 0.32 1.46 0.09 -0.56 0.00 0.00 0.00 179.25 180.56 1iti h GLN 75 N 0.03 0.95 0.00 0.00 3.07 -2.00 -2.36 115.11 114.79 1iti h GLN 75 Ca -0.33 -0.23 -0.10 0.00 0.09 0.00 0.00 58.65 58.07 1iti h GLN 75 Cb 2.02 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 29.45 1iti h GLN 75 CO 0.09 0.88 -0.49 0.37 0.09 0.00 0.00 178.83 179.77 1iti h GLN 76 N 0.89 0.00 -0.08 0.06 4.15 -1.92 -2.68 115.11 115.53 1iti h GLN 76 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 1iti h GLN 76 Cb 0.40 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1iti h GLN 76 CO 0.01 0.49 0.04 0.35 -1.93 0.00 0.00 178.83 177.79 1iti h PHE 77 N 0.00 0.12 0.16 3.99 3.57 -1.37 -1.01 116.94 122.41 1iti h PHE 77 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1iti h PHE 77 Cb 1.22 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1iti h PHE 77 CO 0.00 0.20 -0.08 1.25 -2.23 0.00 0.00 178.31 177.46 1iti h HIS 78 N -0.00 -0.20 -0.63 0.41 2.76 -1.55 -2.70 115.15 113.23 1iti h HIS 78 Ca 0.03 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.38 1iti h HIS 78 Cb 0.13 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1iti h HIS 78 CO -0.03 0.22 0.64 -0.09 -1.30 0.00 0.00 177.93 177.38 1iti h ARG 79 N -0.75 0.00 0.06 5.26 2.43 -1.49 -0.03 114.38 119.86 1iti h ARG 79 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 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 0.04 0.00 -0.03 1.25 -1.51 0.00 0.00 179.97 179.72 1iti h HIS 80 N 0.00 -0.08 -0.18 2.20 2.76 -0.97 -3.03 115.15 115.84 1iti h HIS 80 Ca 0.30 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.51 1iti h HIS 80 Cb 1.58 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 30.52 1iti h HIS 80 CO 0.00 0.52 -0.14 0.87 -1.30 0.00 0.00 177.93 177.88 1iti h LYS 81 N -0.85 -0.14 -0.87 5.26 1.57 -0.72 -0.85 116.57 119.98 1iti h LYS 81 Ca -0.01 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 1iti h LYS 81 Cb 0.63 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.85 1iti h LYS 81 CO 0.01 -0.09 0.37 0.37 -0.57 0.00 0.00 179.45 179.54 1iti h GLN 82 N -0.14 0.40 0.20 3.15 4.15 -1.42 -0.25 115.11 121.19 1iti h GLN 82 Ca 0.11 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1iti h GLN 82 Cb 0.31 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1iti h GLN 82 CO -0.27 0.26 -0.26 1.25 -1.93 0.00 0.00 178.83 177.88 1iti h LEU 83 N 0.41 -0.72 -0.89 -2.39 6.46 -1.03 -1.61 115.31 115.54 1iti h LEU 83 Ca 0.53 0.07 0.22 0.00 -0.12 0.00 0.00 57.88 58.58 1iti h LEU 83 Cb 0.96 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 41.02 1iti h LEU 83 CO -0.51 -0.37 0.37 0.40 -0.62 0.00 0.00 178.44 177.72 1iti h ILE 84 N -0.52 0.46 -0.32 4.05 1.08 -0.66 0.14 117.51 121.75 1iti h ILE 84 Ca 0.01 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1iti h ILE 84 Cb 0.50 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 1iti h ILE 84 CO -0.10 0.07 0.01 -0.09 -0.69 0.00 0.00 178.15 177.35 1iti h ARG 85 N 0.37 0.10 -0.00 2.37 2.43 -0.73 0.16 114.38 119.07 1iti h ARG 85 Ca 0.56 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.75 1iti h ARG 85 Cb 1.06 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1iti h ARG 85 CO -0.54 0.07 -0.17 0.74 -1.51 0.00 0.00 179.97 178.56 1iti h PHE 86 N 0.10 -0.44 0.32 2.20 -1.00 -0.38 -0.92 116.94 116.84 1iti h PHE 86 Ca 0.15 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 1iti h PHE 86 Cb 0.20 0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1iti h PHE 86 CO -0.22 -0.24 -0.24 -0.07 -1.61 0.00 0.00 178.31 175.92 1iti h LEU 87 N -0.28 -0.63 -1.70 1.54 3.38 -0.89 0.44 115.31 117.17 1iti h LEU 87 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1iti h LEU 87 Cb 0.35 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1iti h LEU 87 CO -0.16 -0.37 0.28 0.50 0.09 0.00 0.00 178.44 178.78 1iti h LYS 88 N -0.57 0.00 0.00 1.13 3.64 -0.44 0.36 116.57 120.70 1iti h LYS 88 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1iti h LYS 88 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1iti h LYS 88 CO -0.00 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.05 1iti n ARG 89 N -2.63 0.00 -0.23 1.90 0.63 0.03 -4.05 116.66 112.31 1iti n ARG 89 Ca -0.02 0.20 0.18 0.00 -0.92 0.00 0.00 57.85 57.30 1iti n ARG 89 Cb 0.32 -0.64 0.51 0.00 0.45 0.00 0.00 32.46 33.10 1iti n ARG 89 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1iti h LEU 90 N 0.00 0.42 -1.30 6.15 8.10 -1.14 0.98 115.31 128.52 1iti h LEU 90 Ca 0.00 0.04 0.30 0.00 0.11 0.00 0.00 57.88 58.33 1iti h LEU 90 Cb 0.00 -0.04 -0.11 0.00 -0.44 0.00 0.00 40.66 40.07 1iti h LEU 90 CO 0.00 0.17 0.68 -0.78 -4.11 0.00 0.00 178.44 174.41 1iti h ASP 91 N 0.42 0.44 0.16 0.17 3.58 -0.46 0.23 116.42 120.95 1iti h ASP 91 Ca 0.46 0.11 -0.29 0.00 0.42 0.00 0.00 57.03 57.72 1iti h ASP 91 Cb 1.11 0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.21 1iti h ASP 91 CO -0.17 0.02 -1.43 0.03 -2.88 0.00 0.00 179.24 174.81 1iti h ARG 92 N 0.36 0.33 -0.95 0.28 3.08 -0.95 -3.20 114.38 113.32 1iti h ARG 92 Ca 0.65 -0.56 0.25 0.00 0.07 0.00 0.00 59.98 60.39 1iti h ARG 92 Cb 1.67 0.21 -0.13 0.00 0.08 0.00 0.00 29.97 31.80 1iti h ARG 92 CO -0.36 1.27 0.47 -0.91 -1.07 0.00 0.00 179.97 179.37 1iti h ASN 93 N -0.14 0.43 0.51 7.04 -0.26 -0.67 0.21 115.58 122.68 1iti h ASN 93 Ca -0.29 0.16 -0.02 0.00 -0.56 0.00 0.00 56.30 55.59 1iti h ASN 93 Cb 1.89 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 39.27 1iti h ASN 93 CO 0.13 -0.02 -0.24 -0.07 -1.06 0.00 0.00 177.43 176.17 1iti h LEU 94 N 0.41 -0.58 0.00 1.61 3.38 -1.41 -2.71 115.31 116.02 1iti h LEU 94 Ca 0.62 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 1iti h LEU 94 Cb 1.25 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1iti h LEU 94 CO -0.55 -0.16 0.03 1.87 0.09 0.00 0.00 178.44 179.72 1iti n TRP 95 N -5.23 0.00 0.00 1.13 -0.00 -0.69 -2.58 117.44 110.07 1iti n TRP 95 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1iti n TRP 95 Cb 0.28 -0.19 0.00 0.00 -0.00 0.00 0.00 31.31 31.40 1iti n TRP 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1iti n GLY 96 N -1.15 0.16 0.00 5.87 0.00 0.64 -3.45 105.19 107.27 1iti n GLY 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iti n GLY 96 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1iti n LEU 97 N -1.54 0.00 0.00 0.99 -0.00 -1.14 -3.09 117.00 112.22 1iti n LEU 97 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1iti n LEU 97 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1iti n LEU 97 CO 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 177.39 177.31 1iti n ALA 98 N -1.07 0.00 -1.81 1.47 0.00 -1.06 -5.05 120.51 112.98 1iti n ALA 98 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 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 2.14 -0.73 3.01 0.00 0.00 -1.18 -5.05 105.19 103.38 1iti n GLY 99 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.69 -0.33 0.00 0.99 1.43 -1.26 -5.07 118.68 112.75 1iti s LEU 100 Ca 0.04 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1iti s LEU 100 Cb -0.01 0.75 0.00 0.00 0.03 0.00 0.00 46.19 46.96 1iti s LEU 100 CO 0.17 -0.24 0.37 0.59 0.23 0.00 0.00 176.35 177.47 1iti n ASN 101 N 5.35 0.00 -4.76 2.29 5.03 -1.26 -4.75 115.26 117.16 1iti n ASN 101 Ca -0.06 0.65 -0.40 0.00 0.87 0.00 0.00 54.58 55.64 1iti n ASN 101 Cb 0.50 -0.46 -0.05 0.00 -1.02 0.00 0.00 39.78 38.75 1iti n ASN 101 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1iti s SER 102 N -2.51 7.19 -0.44 6.41 1.04 -1.26 -4.98 113.70 119.15 1iti s SER 102 Ca 0.00 1.41 0.04 0.00 0.48 0.00 0.00 55.95 57.88 1iti s SER 102 Cb 0.00 -2.45 0.26 0.00 0.10 0.00 0.00 66.02 63.93 1iti s SER 102 CO 0.00 0.07 1.03 0.00 0.98 0.00 0.00 173.24 175.32 1iti s PRO 104 N 0.47 3.07 0.17 0.00 0.05 -1.26 -4.90 135.00 132.60 1iti s PRO 104 Ca 0.29 2.04 -0.27 0.00 0.05 0.00 0.00 61.00 63.10 1iti s PRO 104 Cb 0.23 -2.12 -0.08 0.00 0.05 0.00 0.00 34.50 32.59 1iti s PRO 104 CO -0.18 -1.18 0.84 0.54 0.05 0.00 0.00 177.00 177.07 1iti s VAL 105 N -1.43 4.34 0.00 -0.36 0.11 -1.26 -5.00 120.40 116.80 1iti s VAL 105 Ca 0.74 1.84 0.00 0.00 -2.93 0.00 0.00 61.98 61.64 1iti s VAL 105 Cb -0.36 -4.21 0.00 0.00 -1.53 0.00 0.00 36.38 30.28 1iti s VAL 105 CO 0.41 0.48 0.00 1.17 -3.33 0.00 0.00 175.10 173.82 1iti n LYS 106 N 1.82 0.00 -3.82 1.54 4.81 -1.26 -5.10 118.16 116.15 1iti n LYS 106 Ca -0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 1iti n LYS 106 Cb 0.48 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.44 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 0.49 0.50 0.00 1.64 2.02 -1.26 -5.16 118.70 116.92 1iti s GLU 107 Ca 0.00 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1iti s GLU 107 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1iti s GLU 107 CO 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 175.26 175.16 1iti n ALA 108 N 1.68 0.00 -1.63 5.21 0.00 -1.26 -4.92 120.51 119.59 1iti n ALA 108 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1iti n ALA 108 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.29 0.00 -3.86 0.00 8.00 -1.26 -4.93 116.55 114.20 1iti n ASP 109 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1iti n ASP 109 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1iti s GLN 110 N 1.99 1.54 -0.04 -1.24 0.74 -1.26 -3.90 119.66 117.49 1iti s GLN 110 Ca 0.00 -1.49 -0.30 0.00 0.05 0.00 0.00 55.36 53.62 1iti s GLN 110 Cb 0.00 0.41 0.07 0.00 1.10 0.00 0.00 33.01 34.59 1iti s GLN 110 CO 0.00 -0.61 0.70 -1.54 -0.55 0.00 0.00 175.29 173.29 1iti s SER 111 N -3.12 -0.64 0.48 6.67 1.04 0.46 -4.46 113.70 114.14 1iti s SER 111 Ca 0.29 0.66 -0.19 0.00 0.48 0.00 0.00 55.95 57.19 1iti s SER 111 Cb 0.02 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 1iti s SER 111 CO 0.13 -0.61 0.98 0.42 0.98 0.00 0.00 173.24 175.14 1iti s THR 112 N -1.34 4.33 0.32 2.02 -4.23 -1.26 0.44 115.64 115.92 1iti s THR 112 Ca -0.10 1.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.73 1iti s THR 112 Cb -0.00 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.51 1iti s THR 112 CO 0.08 -0.46 1.95 0.25 -0.54 0.00 0.00 174.62 175.90 1iti h LEU 113 N 1.40 0.83 0.01 4.79 5.85 -1.71 0.33 115.31 126.81 1iti h LEU 113 Ca -0.48 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1iti h LEU 113 Cb 1.19 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1iti h LEU 113 CO 0.61 0.56 -0.01 -0.08 -0.34 0.00 0.00 178.44 179.18 1iti h GLU 114 N 0.96 -0.01 -0.91 1.25 4.81 -1.91 -1.93 114.58 116.83 1iti h GLU 114 Ca 0.33 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.80 1iti h GLU 114 Cb 0.11 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.37 1iti h GLU 114 CO -0.11 -0.01 0.41 -0.91 -0.73 0.00 0.00 179.01 177.66 1iti h ASN 115 N -0.02 0.34 -1.00 1.04 2.35 -1.94 0.63 115.58 116.98 1iti h ASN 115 Ca -0.00 0.16 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 1iti h ASN 115 Cb 0.01 0.14 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 1iti h ASN 115 CO 0.00 -0.02 0.65 0.15 -1.65 0.00 0.00 177.43 176.56 1iti h PHE 116 N 0.39 1.20 0.00 1.19 3.04 -0.38 -0.07 116.94 122.31 1iti h PHE 116 Ca 0.58 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.47 1iti h PHE 116 Cb 1.13 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.23 1iti h PHE 116 CO -0.13 0.62 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.29 1iti h LEU 117 N 1.17 0.00 -0.03 0.59 3.38 0.95 -2.41 115.31 118.96 1iti h LEU 117 Ca 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 1iti h LEU 117 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1iti h LEU 117 CO -0.18 0.42 -0.04 -0.08 0.09 0.00 0.00 178.44 178.65 1iti h GLU 118 N 0.00 0.09 -0.27 1.13 4.81 0.10 -1.77 114.58 118.68 1iti h GLU 118 Ca -0.00 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1iti h GLU 118 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1iti h GLU 118 CO 0.05 0.58 -0.37 0.07 -0.73 0.00 0.00 179.01 178.61 1iti h ARG 119 N -0.40 0.61 0.89 1.92 0.11 -1.25 -2.68 114.38 113.59 1iti h ARG 119 Ca 0.00 -0.30 -0.04 0.00 0.10 0.00 0.00 59.98 59.74 1iti h ARG 119 Cb 0.57 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.65 1iti h ARG 119 CO 0.01 0.89 -0.43 1.25 0.10 0.00 0.00 179.97 181.79 1iti h LEU 120 N 0.51 -1.02 -0.83 0.08 6.46 -1.42 0.63 115.31 119.71 1iti h LEU 120 Ca 0.05 0.03 0.20 0.00 -0.12 0.00 0.00 57.88 58.04 1iti h LEU 120 Cb 0.87 0.26 -0.12 0.00 -0.73 0.00 0.00 40.66 40.95 1iti h LEU 120 CO 0.08 -0.68 0.29 0.50 -0.62 0.00 0.00 178.44 178.01 1iti h LYS 121 N -1.28 0.33 -0.08 1.25 3.64 -1.34 0.11 116.57 119.19 1iti h LYS 121 Ca -0.12 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1iti h LYS 121 Cb 0.92 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1iti h LYS 121 CO 0.20 0.22 0.04 1.15 -2.27 0.00 0.00 179.45 178.79 1iti h THR 122 N 0.34 1.10 -0.48 1.00 2.02 -1.20 -2.71 112.91 112.97 1iti h THR 122 Ca 0.50 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.43 1iti h THR 122 Cb 0.91 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.43 1iti h THR 122 CO -0.53 0.09 0.22 0.40 0.37 0.00 0.00 175.52 176.06 1iti h ILE 123 N 0.02 0.91 -0.14 3.11 2.04 0.13 -1.85 117.51 121.73 1iti h ILE 123 Ca 0.03 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1iti h ILE 123 Cb 0.11 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 1iti h ILE 123 CO -0.00 0.08 -0.52 0.24 0.00 0.00 0.00 178.15 177.94 1iti h MET 124 N 0.42 -0.54 -0.39 2.37 2.86 -0.64 0.51 114.93 119.53 1iti h MET 124 Ca 0.22 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.01 1iti h MET 124 Cb 0.17 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1iti h MET 124 CO -0.18 -0.36 0.33 0.00 1.06 0.00 0.00 176.91 177.75 1iti h ARG 125 N -0.56 0.00 0.34 1.72 3.08 -1.17 0.61 114.38 118.39 1iti h ARG 125 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1iti h ARG 125 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1iti h ARG 125 CO -0.43 0.00 -0.16 1.49 -1.07 0.00 0.00 179.97 179.79 1iti h GLU 126 N 0.00 -0.44 0.00 0.04 4.81 0.74 -3.12 114.58 116.62 1iti h GLU 126 Ca 0.18 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1iti h GLU 126 Cb 0.84 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1iti h GLU 126 CO -0.00 -0.13 0.00 1.63 -0.73 0.00 0.00 179.01 179.78 1iti n LYS 127 N -5.10 0.22 0.00 1.92 5.02 0.17 -2.71 118.16 117.69 1iti n LYS 127 Ca -0.08 0.39 0.02 0.00 -2.02 0.00 0.00 58.31 56.62 1iti n LYS 127 Cb 0.26 -1.88 0.10 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.29 0.00 -2.10 2.13 9.36 0.21 -4.65 117.16 119.82 1iti n TYR 128 Ca 0.03 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.82 1iti n TYR 128 Cb 0.27 0.00 -0.03 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 -1.99 6.74 0.00 2.98 0.15 -1.10 -4.69 113.70 115.79 1iti s SER 129 Ca 0.05 2.20 0.00 0.00 0.70 0.00 0.00 55.95 58.90 1iti s SER 129 Cb 0.02 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1iti s SER 129 CO 0.04 -0.83 0.00 2.29 1.20 0.00 0.00 173.24 175.94 1iti n LYS 130 N 6.13 0.00 0.00 5.44 2.85 -1.26 -4.93 118.16 126.39 1iti n LYS 130 Ca 0.15 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.54 1iti n LYS 130 Cb 0.43 0.00 0.73 0.00 -0.65 0.00 0.00 35.03 35.54 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti n SER 132 N -0.96 0.00 0.00 0.00 2.88 -1.26 -4.99 113.62 109.29 1iti n SER 132 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1iti n SER 132 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 1iti n SER 132 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61