#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti s ALA 2 N 0.00 3.01 0.59 -1.84 0.00 -1.26 -4.79 121.76 117.48 1iti s ALA 2 Ca 0.00 -2.56 0.29 0.00 0.00 0.00 0.00 51.96 49.69 1iti s ALA 2 Cb 0.00 -4.52 1.51 0.00 0.00 0.00 0.00 23.12 20.11 1iti s ALA 2 CO 0.00 -3.44 1.93 1.49 0.00 0.00 0.00 175.76 175.74 1iti h GLU 3 N 8.87 0.00 -7.27 0.00 4.81 -2.10 -3.41 114.58 115.49 1iti h GLU 3 Ca 0.29 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 59.06 1iti h GLU 3 Cb 0.96 0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.43 1iti h GLU 3 CO 1.41 0.00 0.19 0.00 -0.73 0.00 0.00 179.01 179.88 1iti s ALA 4 N -4.60 3.27 -0.29 2.92 0.00 -1.26 -5.09 121.76 116.72 1iti s ALA 4 Ca -0.04 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1iti s ALA 4 Cb 0.15 -2.38 0.12 0.00 0.00 0.00 0.00 23.12 21.02 1iti s ALA 4 CO 0.54 -1.47 0.24 -3.38 0.00 0.00 0.00 175.76 171.69 1iti s HIS 5 N -3.26 -0.22 0.57 0.00 -3.43 -1.26 -4.99 115.29 102.70 1iti s HIS 5 Ca 0.64 -0.38 0.27 0.00 -0.80 0.00 0.00 55.06 54.78 1iti s HIS 5 Cb -0.08 -0.59 1.56 0.00 -1.43 0.00 0.00 32.58 32.04 1iti s HIS 5 CO 0.45 -0.89 2.08 -0.22 -2.00 0.00 0.00 174.74 174.16 1iti h LYS 6 N 8.31 0.00 -6.24 -0.38 3.64 -1.98 -3.39 116.57 116.53 1iti h LYS 6 Ca -0.15 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.67 1iti h LYS 6 Cb 1.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1iti h LYS 6 CO 0.37 0.00 0.61 0.00 -2.27 0.00 0.00 179.45 178.16 1iti s ASP 8 N 1.15 6.94 0.49 0.00 -1.08 -1.26 -4.88 116.67 118.03 1iti s ASP 8 Ca 0.49 1.31 0.29 0.00 -0.52 0.00 0.00 52.55 54.12 1iti s ASP 8 Cb -0.18 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.66 1iti s ASP 8 CO 0.17 -0.83 1.82 -0.29 0.52 0.00 0.00 175.17 176.56 1iti h ILE 9 N 5.64 0.00 0.86 4.11 2.10 -1.94 -3.29 117.51 125.00 1iti h ILE 9 Ca -0.22 -0.70 -0.04 0.00 1.08 0.00 0.00 64.86 64.98 1iti h ILE 9 Cb 1.08 1.69 0.01 0.00 -1.09 0.00 0.00 36.82 38.50 1iti h ILE 9 CO 1.00 0.00 -0.41 0.74 -1.08 0.00 0.00 178.15 178.40 1iti h THR 10 N 0.00 0.00 0.00 2.19 2.02 -2.00 -1.58 112.91 113.54 1iti h THR 10 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1iti h THR 10 Cb 0.71 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1iti h THR 10 CO 0.00 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 176.30 1iti h LEU 11 N -1.29 0.00 0.00 2.58 3.38 -1.99 -0.53 115.31 117.46 1iti h LEU 11 Ca -0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1iti h LEU 11 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1iti h LEU 11 CO 0.19 0.00 -0.00 -0.61 0.09 0.00 0.00 178.44 178.11 1iti h GLN 12 N 0.00 -0.00 -0.25 1.13 4.15 -1.41 -2.74 115.11 115.98 1iti h GLN 12 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1iti h GLN 12 Cb 0.96 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 1iti h GLN 12 CO 0.00 -0.00 0.35 1.05 -1.93 0.00 0.00 178.83 178.30 1iti h GLU 13 N -0.09 0.00 0.33 1.69 -0.00 -1.01 -1.74 114.58 113.75 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 1iti h GLU 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 1iti h GLU 13 CO 0.00 0.00 -0.16 0.82 -0.00 0.00 0.00 179.01 179.67 1iti h ILE 14 N 0.00 0.49 -0.46 -1.06 2.04 -1.21 -2.51 117.51 114.80 1iti h ILE 14 Ca 0.12 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.32 1iti h ILE 14 Cb 0.81 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.57 1iti h ILE 14 CO -0.00 0.11 -0.21 0.40 0.00 0.00 0.00 178.15 178.45 1iti h ILE 15 N -0.95 0.38 -0.88 -0.67 2.04 -1.00 0.18 117.51 116.61 1iti h ILE 15 Ca -0.04 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1iti h ILE 15 Cb 0.51 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 1iti h ILE 15 CO 0.07 0.00 0.48 0.11 0.00 0.00 0.00 178.15 178.81 1iti h LYS 16 N -0.11 0.67 -0.43 2.37 1.57 -1.53 -0.34 116.57 118.76 1iti h LYS 16 Ca 0.22 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.00 1iti h LYS 16 Cb 0.45 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1iti h LYS 16 CO -0.53 0.44 0.20 1.15 -0.57 0.00 0.00 179.45 180.14 1iti h THR 17 N 0.69 0.94 -0.72 -0.16 2.02 -0.19 -1.60 112.91 113.88 1iti h THR 17 Ca 0.48 -0.14 0.11 0.00 0.77 0.00 0.00 66.41 67.63 1iti h THR 17 Cb 0.65 0.50 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 1iti h THR 17 CO -0.35 0.07 0.33 -0.07 0.37 0.00 0.00 175.52 175.87 1iti h LEU 18 N 0.40 0.38 -0.55 2.58 3.38 -0.35 -0.66 115.31 120.49 1iti h LEU 18 Ca 0.19 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.26 1iti h LEU 18 Cb 0.13 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1iti h LEU 18 CO -0.15 0.19 0.35 0.78 0.09 0.00 0.00 178.44 179.70 1iti h ASN 19 N 0.53 0.59 -0.85 -0.43 4.21 -0.95 -1.41 115.58 117.28 1iti h ASN 19 Ca 0.37 -0.01 0.15 0.00 1.21 0.00 0.00 56.30 58.03 1iti h ASN 19 Cb 0.48 -0.14 -0.10 0.00 -1.12 0.00 0.00 38.32 37.44 1iti h ASN 19 CO -0.32 0.42 0.43 0.28 -1.29 0.00 0.00 177.43 176.94 1iti h SER 20 N 0.71 0.50 -0.07 5.81 0.02 -0.49 -1.34 113.55 118.69 1iti h SER 20 Ca 0.21 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1iti h SER 20 Cb -0.04 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1iti h SER 20 CO -0.07 0.20 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.71 1iti h LEU 21 N 0.60 0.15 -1.75 5.07 3.38 -0.96 -2.59 115.31 119.20 1iti h LEU 21 Ca 0.47 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1iti h LEU 21 Cb 0.68 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1iti h LEU 21 CO -0.38 0.54 0.62 0.71 0.09 0.00 0.00 178.44 180.02 1iti h THR 22 N -0.23 0.26 0.01 0.22 1.35 -0.23 0.82 112.91 115.10 1iti h THR 22 Ca 0.02 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.66 1iti h THR 22 Cb 0.48 0.50 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 1iti h THR 22 CO 0.01 0.00 -1.00 -0.33 -0.25 0.00 0.00 175.52 173.95 1iti h GLU 23 N 0.00 0.03 -6.48 4.72 5.08 -0.97 -3.45 114.58 113.51 1iti h GLU 23 Ca 0.25 -0.04 -0.53 0.00 -1.00 0.00 0.00 59.36 58.04 1iti h GLU 23 Cb 1.48 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1iti h GLU 23 CO -0.00 1.00 -0.12 -0.65 -1.00 0.00 0.00 179.01 178.24 1iti s GLN 24 N -2.75 3.70 -0.43 2.33 -0.21 0.28 -5.06 119.66 117.52 1iti s GLN 24 Ca 0.00 0.12 0.05 0.00 0.02 0.00 0.00 55.36 55.56 1iti s GLN 24 Cb 0.10 -2.64 0.17 0.00 1.00 0.00 0.00 33.01 31.64 1iti s GLN 24 CO 0.82 0.24 0.50 0.15 -2.12 0.00 0.00 175.29 174.89 1iti s LYS 25 N -3.28 0.87 0.72 2.91 1.02 -1.26 -4.92 119.74 115.81 1iti s LYS 25 Ca 0.45 -1.22 -0.00 0.00 0.02 0.00 0.00 55.97 55.23 1iti s LYS 25 Cb -0.11 -0.62 0.13 0.00 -0.52 0.00 0.00 37.83 36.72 1iti s LYS 25 CO 0.27 -1.29 0.99 0.95 -0.92 0.00 0.00 175.35 175.35 1iti s THR 26 N 0.91 2.10 -0.00 2.17 -4.23 -1.26 -4.96 115.64 110.36 1iti s THR 26 Ca 0.25 -0.62 0.32 0.00 -1.18 0.00 0.00 61.69 60.46 1iti s THR 26 Cb -0.04 -2.47 0.37 0.00 1.34 0.00 0.00 72.50 71.70 1iti s THR 26 CO -0.08 0.00 1.93 0.17 -0.54 0.00 0.00 174.62 176.10 1iti h LEU 27 N -0.51 0.00 0.00 4.79 8.10 -1.95 -2.71 115.31 123.03 1iti h LEU 27 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.64 1iti h LEU 27 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.49 1iti h LEU 27 CO 0.39 0.00 0.04 0.00 -4.11 0.00 0.00 178.44 174.76 1iti h THR 29 N 0.00 1.04 0.00 0.00 1.35 -1.87 -3.17 112.91 110.27 1iti h THR 29 Ca 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 1iti h THR 29 Cb 0.08 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1iti h THR 29 CO 0.00 0.59 0.00 -0.62 -0.25 0.00 0.00 175.52 175.24 1iti n GLU 30 N -3.21 0.36 -3.41 4.72 1.02 0.50 -4.07 120.64 116.56 1iti n GLU 30 Ca -0.01 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1iti n GLU 30 Cb 0.82 -1.17 -0.06 0.00 -0.02 0.00 0.00 31.44 31.00 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iti s LEU 31 N -1.35 4.35 -0.22 -4.62 1.43 -1.20 -5.03 118.68 112.04 1iti s LEU 31 Ca 0.06 0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 53.77 1iti s LEU 31 Cb 0.03 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1iti s LEU 31 CO 0.05 0.13 0.70 0.42 0.23 0.00 0.00 176.35 177.89 1iti s THR 32 N -0.03 4.95 0.67 5.49 -4.23 -1.26 -3.16 115.64 118.07 1iti s THR 32 Ca 0.24 1.32 0.02 0.00 -1.18 0.00 0.00 61.69 62.09 1iti s THR 32 Cb -0.15 -4.01 0.11 0.00 1.34 0.00 0.00 72.50 69.79 1iti s THR 32 CO 0.11 0.03 0.93 0.68 -0.54 0.00 0.00 174.62 175.83 1iti s VAL 33 N 2.32 2.18 -0.17 2.29 -7.23 0.99 -4.88 120.40 115.90 1iti s VAL 33 Ca 0.31 -0.70 -0.18 0.00 -1.81 0.00 0.00 61.98 59.60 1iti s VAL 33 Cb -0.16 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1iti s VAL 33 CO 0.09 0.00 0.48 -0.89 -0.31 0.00 0.00 175.10 174.48 1iti s THR 34 N -3.00 5.15 0.94 5.32 2.01 -1.26 -2.39 115.64 122.41 1iti s THR 34 Ca 0.65 0.91 -0.12 0.00 0.31 0.00 0.00 61.69 63.43 1iti s THR 34 Cb -0.06 -3.81 0.16 0.00 0.01 0.00 0.00 72.50 68.80 1iti s THR 34 CO 0.43 0.24 1.11 -0.62 -0.69 0.00 0.00 174.62 175.09 1iti s ASP 35 N 0.94 3.15 0.00 3.53 2.15 -1.25 -4.87 116.67 120.32 1iti s ASP 35 Ca 0.24 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.36 1iti s ASP 35 Cb -0.15 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 1iti s ASP 35 CO 0.09 -2.80 0.00 2.30 -0.17 0.00 0.00 175.17 174.60 1iti n ILE 36 N -3.95 0.00 1.47 4.11 -5.35 -1.26 -4.64 119.36 109.74 1iti n ILE 36 Ca 0.06 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.67 1iti n ILE 36 Cb 0.58 0.00 0.72 0.00 -1.74 0.00 0.00 39.64 39.20 1iti n ILE 36 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1iti n PHE 37 N -0.99 0.00 -0.04 4.28 3.72 -1.26 -2.93 117.46 120.24 1iti n PHE 37 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 1iti n PHE 37 Cb 0.00 -0.11 0.23 0.00 -0.94 0.00 0.00 39.48 38.66 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 -1.11 3.25 -2.47 4.37 0.00 -1.26 -4.05 120.51 119.25 1iti n ALA 38 Ca 0.17 -1.07 -0.03 0.00 0.00 0.00 0.00 53.44 52.50 1iti n ALA 38 Cb 0.13 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 18.58 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 0.38 2.64 -3.04 0.00 0.00 -1.15 -4.83 120.51 114.51 1iti n ALA 39 Ca 0.16 -0.83 -0.44 0.00 0.00 0.00 0.00 53.44 52.33 1iti n ALA 39 Cb 0.77 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1iti n ALA 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1iti s SER 40 N -0.99 6.89 -0.04 0.00 1.04 -1.26 -4.85 113.70 114.50 1iti s SER 40 Ca 0.06 -2.65 -0.15 0.00 0.48 0.00 0.00 55.95 53.68 1iti s SER 40 Cb 0.30 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.98 1iti s SER 40 CO -0.09 -0.79 0.64 0.11 0.98 0.00 0.00 173.24 174.09 1iti h LYS 41 N 7.84 -0.52 0.00 4.02 1.57 -1.96 -3.42 116.57 124.10 1iti h LYS 41 Ca 0.21 0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 1iti h LYS 41 Cb 0.96 0.12 -0.26 0.00 0.08 0.00 0.00 32.23 33.13 1iti h LYS 41 CO 1.09 -0.34 -0.69 -0.40 -0.57 0.00 0.00 179.45 178.54 1iti n ASP 42 N -5.14 0.17 -4.71 0.86 5.68 -1.26 -5.10 116.55 107.05 1iti n ASP 42 Ca -0.07 -1.96 -0.42 0.00 -0.50 0.00 0.00 54.79 51.84 1iti n ASP 42 Cb 0.22 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.11 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1iti s THR 43 N 0.00 4.02 0.00 2.12 -4.23 -1.26 -5.02 115.64 111.27 1iti s THR 43 Ca 0.18 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 62.15 1iti s THR 43 Cb 0.21 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1iti s THR 43 CO -0.09 0.12 0.00 0.35 -0.54 0.00 0.00 174.62 174.46 1iti n THR 44 N 3.86 0.00 0.02 3.99 -2.24 -1.26 -4.82 114.28 113.83 1iti n THR 44 Ca 0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1iti n THR 44 Cb 0.46 -0.07 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.16 -0.65 -0.78 3.07 -2.00 -3.22 114.58 111.16 1iti h GLU 45 Ca 0.00 -0.27 0.04 0.00 -0.50 0.00 0.00 59.36 58.63 1iti h GLU 45 Cb 0.00 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1iti h GLU 45 CO 0.00 0.93 0.38 0.87 -1.40 0.00 0.00 179.01 179.80 1iti h LYS 46 N 0.04 0.71 -0.14 2.33 1.57 -1.98 -1.10 116.57 118.01 1iti h LYS 46 Ca -0.28 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 1iti h LYS 46 Cb 2.00 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 1iti h LYS 46 CO 0.12 0.47 -0.36 0.93 -0.57 0.00 0.00 179.45 180.04 1iti h GLU 47 N 0.73 0.30 0.65 3.15 4.39 -1.92 -2.59 114.58 119.29 1iti h GLU 47 Ca 0.28 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 1iti h GLU 47 Cb 0.10 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1iti h GLU 47 CO -0.14 0.62 -0.31 1.15 -1.16 0.00 0.00 179.01 179.17 1iti h THR 48 N 0.25 0.00 -1.01 1.13 2.02 -1.25 -0.72 112.91 113.33 1iti h THR 48 Ca 0.03 -0.12 0.23 0.00 0.77 0.00 0.00 66.41 67.32 1iti h THR 48 Cb 0.76 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 1iti h THR 48 CO 0.06 0.00 0.62 -0.26 0.37 0.00 0.00 175.52 176.31 1iti h PHE 49 N -0.99 0.94 0.77 3.16 0.04 -1.34 -1.18 116.94 118.33 1iti h PHE 49 Ca -0.09 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1iti h PHE 49 Cb 0.67 -0.28 0.01 0.00 2.20 0.00 0.00 35.95 38.55 1iti h PHE 49 CO 0.05 0.12 -0.37 0.00 -0.60 0.00 0.00 178.31 177.51 1iti h ARG 51 N -1.12 0.31 -0.28 0.00 2.47 -0.01 0.20 114.38 115.96 1iti h ARG 51 Ca -0.11 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1iti h ARG 51 Cb 0.81 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1iti h ARG 51 CO 0.17 0.21 0.16 0.00 0.56 0.00 0.00 179.97 181.07 1iti h ALA 52 N 1.66 0.36 -0.37 0.04 0.00 -1.00 -2.60 119.26 117.34 1iti h ALA 52 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1iti h ALA 52 Cb 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1iti h ALA 52 CO -0.52 -0.12 0.25 0.00 0.00 0.00 0.00 179.25 178.86 1iti h ALA 53 N 1.03 0.47 -0.77 0.00 0.00 0.11 -2.09 119.26 118.02 1iti h ALA 53 Ca 0.10 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1iti h ALA 53 Cb 0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.58 1iti h ALA 53 CO -0.02 -0.06 0.23 1.15 0.00 0.00 0.00 179.25 180.55 1iti h THR 54 N 0.51 0.52 0.52 0.00 2.02 -0.43 0.34 112.91 116.39 1iti h THR 54 Ca 0.14 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.18 1iti h THR 54 Cb -0.06 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1iti h THR 54 CO -0.03 0.06 -0.25 0.58 0.37 0.00 0.00 175.52 176.25 1iti h VAL 55 N 0.31 0.00 -1.20 3.16 2.07 -1.04 -2.33 116.25 117.22 1iti h VAL 55 Ca 0.44 -0.12 0.34 0.00 0.82 0.00 0.00 66.70 68.19 1iti h VAL 55 Cb 0.77 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1iti h VAL 55 CO -0.51 0.00 0.84 -0.07 0.02 0.00 0.00 177.57 177.86 1iti h LEU 56 N -0.82 0.09 0.67 2.57 3.38 -0.90 0.09 115.31 120.39 1iti h LEU 56 Ca -0.07 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1iti h LEU 56 Cb 0.54 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1iti h LEU 56 CO 0.12 0.01 -0.32 -0.09 0.09 0.00 0.00 178.44 178.25 1iti h ARG 57 N 0.08 -0.86 0.00 1.13 2.43 0.02 -2.16 114.38 115.02 1iti h ARG 57 Ca 0.60 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 1iti h ARG 57 Cb 2.20 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.94 1iti h ARG 57 CO -0.08 -0.57 0.00 0.00 -1.51 0.00 0.00 179.97 177.81 1iti n GLN 58 N -4.73 0.39 -0.00 0.20 10.64 -0.42 -1.75 117.38 121.71 1iti n GLN 58 Ca -0.11 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1iti n GLN 58 Cb 0.35 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.23 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 -0.40 -3.03 116.94 119.70 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 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 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 -2.15 0.00 0.03 0.41 0.18 -1.00 -1.20 117.16 113.43 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 -0.47 -0.14 0.00 -0.38 0.00 0.00 39.34 38.35 1iti n TYR 60 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1iti h SER 61 N 0.00 0.47 0.90 9.48 0.02 -1.51 -2.63 113.55 120.28 1iti h SER 61 Ca 0.00 -0.90 0.00 0.00 -0.84 0.00 0.00 61.79 60.05 1iti h SER 61 Cb 0.34 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1iti h SER 61 CO 0.00 1.79 -0.90 1.41 -1.14 0.00 0.00 176.83 177.99 1iti n HIS 62 N -3.50 0.78 -0.11 3.45 8.25 -1.14 -4.07 115.22 118.87 1iti n HIS 62 Ca -0.28 0.23 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 1iti n HIS 62 Cb 1.06 -0.82 -0.11 0.00 1.12 0.00 0.00 29.99 31.24 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 -2.45 0.77 0.03 4.41 8.25 -0.34 -3.16 115.22 122.73 1iti n HIS 63 Ca 0.01 0.33 0.21 0.00 -0.26 0.00 0.00 57.72 58.02 1iti n HIS 63 Cb 0.51 -1.07 0.58 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.00 0.00 0.00 -0.41 4.22 -1.64 1.25 114.58 117.00 1iti h GLU 64 Ca -0.43 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 58.89 1iti h GLU 64 Cb 1.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 1iti h GLU 64 CO -0.26 0.00 -1.62 1.63 -2.18 0.00 0.00 179.01 176.58 1iti n LYS 65 N -3.34 0.64 -2.62 1.92 5.02 -1.26 -4.91 118.16 113.61 1iti n LYS 65 Ca 0.12 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.15 1iti n LYS 65 Cb 0.96 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 34.22 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 -5.36 6.75 -0.48 4.39 -1.08 0.43 -4.95 116.67 116.37 1iti s ASP 66 Ca -0.05 1.59 -0.02 0.00 -0.52 0.00 0.00 52.55 53.55 1iti s ASP 66 Cb 0.10 -2.51 0.31 0.00 -1.46 0.00 0.00 42.92 39.35 1iti s ASP 66 CO 0.83 -0.47 2.07 0.35 0.52 0.00 0.00 175.17 178.47 1iti n THR 67 N -1.14 3.18 -0.09 1.71 -2.24 -1.26 -4.43 114.28 110.01 1iti n THR 67 Ca 0.06 -2.32 -0.11 0.00 -2.27 0.00 0.00 64.05 59.41 1iti n THR 67 Cb 0.54 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 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 -0.16 0.51 -0.19 -0.78 5.12 -1.26 -4.32 116.66 115.57 1iti n ARG 68 Ca 0.45 0.36 0.02 0.00 -1.93 0.00 0.00 57.85 56.76 1iti n ARG 68 Cb 0.60 -1.56 0.10 0.00 -1.16 0.00 0.00 32.46 30.44 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iti n LEU 70 N 0.14 1.88 0.00 0.00 4.77 -1.26 -4.90 117.00 117.63 1iti n LEU 70 Ca 0.07 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1iti n LEU 70 Cb 0.38 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1iti n LEU 70 CO 0.07 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1iti n GLY 71 N 1.47 -1.05 0.00 -0.72 0.00 -1.26 -4.60 105.19 99.03 1iti n GLY 71 Ca -0.24 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1iti n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iti n ALA 72 N 2.91 0.23 -2.10 4.61 0.00 -1.26 -5.06 120.51 119.84 1iti n ALA 72 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1iti n ALA 72 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1iti n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iti s THR 73 N -0.00 4.46 -0.08 0.00 2.01 -1.26 -5.01 115.64 115.75 1iti s THR 73 Ca 0.00 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 1iti s THR 73 Cb 0.00 -3.74 -0.28 0.00 0.01 0.00 0.00 72.50 68.48 1iti s THR 73 CO 0.00 -0.82 0.54 0.00 -0.69 0.00 0.00 174.62 173.66 1iti h ALA 74 N -0.07 0.24 -0.64 7.40 0.00 -1.98 -3.17 119.26 121.05 1iti h ALA 74 Ca -0.46 -1.21 0.05 0.00 0.00 0.00 0.00 54.91 53.30 1iti h ALA 74 Cb 1.22 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1iti h ALA 74 CO 0.62 1.06 0.35 -0.56 0.00 0.00 0.00 179.25 180.72 1iti h GLN 75 N -0.01 0.64 0.00 0.00 3.07 -2.00 -0.47 115.11 116.33 1iti h GLN 75 Ca -0.36 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.26 1iti h GLN 75 Cb 2.00 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 29.40 1iti h GLN 75 CO 0.12 0.42 -0.37 0.37 0.09 0.00 0.00 178.83 179.46 1iti h GLN 76 N 0.66 0.00 0.03 0.06 4.15 -1.93 -2.55 115.11 115.53 1iti h GLN 76 Ca 0.28 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.70 1iti h GLN 76 Cb 0.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1iti h GLN 76 CO -0.17 0.37 -0.05 0.35 -1.93 0.00 0.00 178.83 177.39 1iti h PHE 77 N 0.00 -0.15 -0.53 3.99 3.57 -1.04 0.31 116.94 123.08 1iti h PHE 77 Ca -0.00 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1iti h PHE 77 Cb 0.67 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1iti h PHE 77 CO 0.00 -0.06 0.35 1.25 -2.23 0.00 0.00 178.31 177.62 1iti h HIS 78 N -0.09 0.45 0.00 0.41 2.76 -1.58 0.36 115.15 117.46 1iti h HIS 78 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1iti h HIS 78 Cb 0.08 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.89 1iti h HIS 78 CO -0.23 0.24 0.00 -2.13 -1.30 0.00 0.00 177.93 174.51 1iti n ARG 79 N -4.47 0.15 -0.07 5.26 0.63 -0.74 -2.52 116.66 114.90 1iti n ARG 79 Ca 0.07 0.43 -0.22 0.00 -0.92 0.00 0.00 57.85 57.21 1iti n ARG 79 Cb 0.27 -1.81 -0.12 0.00 0.45 0.00 0.00 32.46 31.25 1iti n ARG 79 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1iti n HIS 80 N -2.09 1.08 -0.24 -0.14 -0.00 0.12 -3.81 115.22 110.15 1iti n HIS 80 Ca 0.02 0.39 0.05 0.00 0.46 0.00 0.00 57.72 58.63 1iti n HIS 80 Cb 0.18 -1.12 0.29 0.00 -0.12 0.00 0.00 29.99 29.22 1iti n HIS 80 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 1iti h LYS 81 N -0.71 0.88 -0.94 1.57 6.56 -1.34 -0.90 116.57 121.69 1iti h LYS 81 Ca -0.37 -0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.18 1iti h LYS 81 Cb 1.51 -0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 32.92 1iti h LYS 81 CO -0.13 0.58 0.62 0.37 -2.06 0.00 0.00 179.45 178.83 1iti h GLN 82 N 0.91 1.19 0.76 3.15 4.15 -1.65 -0.48 115.11 123.15 1iti h GLN 82 Ca 0.34 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 1iti h GLN 82 Cb 0.17 -0.27 0.01 0.00 0.21 0.00 0.00 27.48 27.60 1iti h GLN 82 CO -0.11 0.79 -0.37 1.25 -1.93 0.00 0.00 178.83 178.46 1iti h LEU 83 N 1.23 -0.87 -1.46 -2.39 6.46 -1.27 -2.65 115.31 114.36 1iti h LEU 83 Ca 0.36 0.03 0.24 0.00 -0.12 0.00 0.00 57.88 58.39 1iti h LEU 83 Cb -0.08 0.22 -0.08 0.00 -0.73 0.00 0.00 40.66 40.00 1iti h LEU 83 CO -0.09 -0.50 0.65 0.40 -0.62 0.00 0.00 178.44 178.27 1iti h ILE 84 N -1.26 0.59 -0.04 4.05 1.08 -1.30 0.09 117.51 120.72 1iti h ILE 84 Ca -0.10 -0.13 0.02 0.00 -0.39 0.00 0.00 64.86 64.25 1iti h ILE 84 Cb 0.78 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 1iti h ILE 84 CO 0.17 0.07 -0.06 -0.09 -0.69 0.00 0.00 178.15 177.56 1iti h ARG 85 N 0.39 -0.08 0.27 2.37 9.65 -0.84 0.19 114.38 126.32 1iti h ARG 85 Ca 0.54 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.42 1iti h ARG 85 Cb 1.38 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.96 1iti h ARG 85 CO -0.23 -0.05 -0.24 0.74 2.80 0.00 0.00 179.97 182.99 1iti h PHE 86 N -0.08 -0.64 0.36 2.20 0.04 -0.64 -1.32 116.94 116.85 1iti h PHE 86 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1iti h PHE 86 Cb 0.13 0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1iti h PHE 86 CO -0.14 -0.36 -0.42 -0.07 -0.60 0.00 0.00 178.31 176.71 1iti h LEU 87 N -0.53 -1.17 -1.59 1.54 3.38 -1.24 0.16 115.31 115.86 1iti h LEU 87 Ca -0.01 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1iti h LEU 87 Cb 0.49 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1iti h LEU 87 CO -0.04 -0.56 0.58 0.11 0.09 0.00 0.00 178.44 178.62 1iti h LYS 88 N -0.82 0.00 0.00 1.13 1.57 -0.48 0.67 116.57 118.64 1iti h LYS 88 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1iti h LYS 88 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1iti h LYS 88 CO -0.10 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.65 1iti n ARG 89 N -3.16 0.00 0.25 3.15 0.63 0.40 -3.85 116.66 114.09 1iti n ARG 89 Ca 0.05 0.18 0.11 0.00 -0.92 0.00 0.00 57.85 57.27 1iti n ARG 89 Cb 0.70 -0.61 0.61 0.00 0.45 0.00 0.00 32.46 33.61 1iti n ARG 89 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1iti h LEU 90 N 0.00 0.00 -0.73 6.15 8.10 -0.90 0.11 115.31 128.04 1iti h LEU 90 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.91 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 0.08 -0.78 -4.11 0.00 0.00 178.44 173.63 1iti h ASP 91 N 0.00 1.01 0.95 0.17 3.58 0.22 -2.72 116.42 119.63 1iti h ASP 91 Ca 0.00 -0.25 -0.18 0.00 0.42 0.00 0.00 57.03 57.02 1iti h ASP 91 Cb 0.58 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1iti h ASP 91 CO 0.00 1.02 -1.12 0.03 -2.88 0.00 0.00 179.24 176.29 1iti h ARG 92 N 0.98 0.00 0.50 0.28 2.47 -0.90 -3.29 114.38 114.43 1iti h ARG 92 Ca 0.19 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1iti h ARG 92 Cb 0.45 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1iti h ARG 92 CO 0.02 0.54 -0.30 -0.91 0.56 0.00 0.00 179.97 179.87 1iti h ASN 93 N 0.00 -0.75 0.00 7.04 4.21 -1.25 0.28 115.58 125.11 1iti h ASN 93 Ca -0.11 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1iti h ASN 93 Cb 1.64 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 39.06 1iti h ASN 93 CO 0.08 -0.48 0.00 0.18 -1.29 0.00 0.00 177.43 175.92 1iti n LEU 94 N -5.44 0.00 0.00 1.61 4.77 -1.05 -1.07 117.00 115.83 1iti n LEU 94 Ca -0.12 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 1iti n LEU 94 Cb 0.33 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1iti n LEU 94 CO 0.35 -0.46 0.49 1.87 -1.33 0.00 0.00 177.39 178.30 1iti n TRP 95 N -2.02 0.00 0.00 -1.77 -0.00 -1.24 -2.30 117.44 110.12 1iti n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1iti n TRP 95 Cb 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.03 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 -1.27 -0.68 0.00 5.87 0.00 0.99 -3.18 105.19 106.92 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 -1.84 0.00 0.00 0.99 -0.00 -0.94 -2.98 117.00 112.23 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 -1.31 1.47 0.00 -1.02 -4.97 120.51 113.61 1iti n ALA 98 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 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 1.99 0.45 3.69 0.00 0.00 -1.16 -5.00 105.19 105.15 1iti n GLY 99 Ca 0.00 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.38 4.24 -0.06 0.99 1.43 -1.26 -4.97 118.68 118.66 1iti s LEU 100 Ca 0.00 1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 54.28 1iti s LEU 100 Cb 0.00 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 1iti s LEU 100 CO 0.00 -0.29 -0.04 -1.13 0.23 0.00 0.00 176.35 175.12 1iti h ASN 101 N 7.11 0.00 -3.36 2.29 -0.73 -2.01 -3.45 115.58 115.43 1iti h ASN 101 Ca -0.34 0.00 -0.56 0.00 1.87 0.00 0.00 56.30 57.27 1iti h ASN 101 Cb 1.16 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.70 1iti h ASN 101 CO 0.80 0.34 0.20 -0.44 -0.37 0.00 0.00 177.43 177.95 1iti s SER 102 N -4.55 7.06 -0.44 1.15 0.01 -1.26 -4.95 113.70 110.72 1iti s SER 102 Ca -0.03 1.28 0.04 0.00 1.31 0.00 0.00 55.95 58.55 1iti s SER 102 Cb 0.00 -2.45 0.26 0.00 0.21 0.00 0.00 66.02 64.04 1iti s SER 102 CO 0.05 -0.20 1.03 0.00 0.41 0.00 0.00 173.24 174.53 1iti s PRO 104 N 0.47 2.45 0.62 0.00 0.05 -1.26 -4.95 135.00 132.38 1iti s PRO 104 Ca 0.29 1.81 0.01 0.00 0.05 0.00 0.00 61.00 63.15 1iti s PRO 104 Cb 0.23 -1.87 0.07 0.00 0.05 0.00 0.00 34.50 32.99 1iti s PRO 104 CO -0.18 -1.61 0.86 0.54 0.05 0.00 0.00 177.00 176.66 1iti s VAL 105 N -1.81 2.44 0.00 -0.36 0.11 -1.26 -5.02 120.40 114.50 1iti s VAL 105 Ca 0.76 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 1iti s VAL 105 Cb -0.30 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1iti s VAL 105 CO 0.41 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.35 1iti n LYS 106 N -2.53 0.00 -4.06 1.54 4.81 -1.26 -5.19 118.16 111.47 1iti n LYS 106 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.45 1iti n LYS 106 Cb 0.60 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.58 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 3.75 1.37 0.00 1.64 2.02 -1.26 -5.16 118.70 121.06 1iti s GLU 107 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1iti s GLU 107 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1iti s GLU 107 CO 0.00 -0.53 0.00 0.00 0.02 0.00 0.00 175.26 174.75 1iti n ALA 108 N -0.32 0.00 -1.63 5.21 0.00 -1.26 -5.03 120.51 117.48 1iti n ALA 108 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1iti n ALA 108 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.82 0.00 9.92 -1.26 -4.95 116.55 116.44 1iti n ASP 109 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 1iti n ASP 109 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1iti n ASP 109 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1iti s GLN 110 N 3.00 0.67 0.14 -1.24 -0.21 -1.26 -3.79 119.66 116.98 1iti s GLN 110 Ca 0.00 -0.51 -0.17 0.00 0.02 0.00 0.00 55.36 54.70 1iti s GLN 110 Cb 0.00 0.28 0.04 0.00 1.00 0.00 0.00 33.01 34.33 1iti s GLN 110 CO 0.00 -0.19 0.45 -1.54 -2.12 0.00 0.00 175.29 171.89 1iti s SER 111 N -1.85 -0.28 0.13 5.90 1.04 -1.00 -4.75 113.70 112.88 1iti s SER 111 Ca -0.08 -0.32 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 1iti s SER 111 Cb -0.03 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 1iti s SER 111 CO -0.02 -0.91 0.54 0.42 0.98 0.00 0.00 173.24 174.26 1iti s THR 112 N -3.81 4.85 0.55 2.02 -4.23 -1.26 -0.01 115.64 113.75 1iti s THR 112 Ca 0.04 0.88 0.38 0.00 -1.18 0.00 0.00 61.69 61.80 1iti s THR 112 Cb 0.01 -3.75 0.56 0.00 1.34 0.00 0.00 72.50 70.66 1iti s THR 112 CO -0.10 0.30 1.77 0.25 -0.54 0.00 0.00 174.62 176.30 1iti h LEU 113 N 3.74 0.00 0.00 4.79 5.85 -1.69 0.30 115.31 128.30 1iti h LEU 113 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1iti h LEU 113 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1iti h LEU 113 CO 0.65 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.96 1iti n GLU 114 N -4.10 0.00 -0.22 1.25 4.07 -1.26 -2.08 120.64 118.30 1iti n GLU 114 Ca 0.27 0.23 0.03 0.00 -0.06 0.00 0.00 57.16 57.63 1iti n GLU 114 Cb 1.31 -1.01 0.14 0.00 -0.06 0.00 0.00 31.44 31.81 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 -0.91 4.31 2.35 -1.86 0.19 115.58 119.60 1iti h ASN 115 Ca 0.00 0.14 0.23 0.00 -0.55 0.00 0.00 56.30 56.12 1iti h ASN 115 Cb 0.00 0.20 -0.13 0.00 0.05 0.00 0.00 38.32 38.44 1iti h ASN 115 CO 0.00 -0.04 0.39 0.15 -1.65 0.00 0.00 177.43 176.28 1iti h PHE 116 N 0.23 0.65 -0.05 1.19 3.04 -0.51 0.83 116.94 122.31 1iti h PHE 116 Ca 0.36 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.24 1iti h PHE 116 Cb 0.58 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.93 1iti h PHE 116 CO -0.28 -0.08 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.41 1iti h LEU 117 N 0.37 0.12 0.15 0.59 3.38 -0.07 -2.48 115.31 117.38 1iti h LEU 117 Ca 0.58 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 1iti h LEU 117 Cb 1.13 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1iti h LEU 117 CO -0.55 0.56 -0.07 -0.08 0.09 0.00 0.00 178.44 178.39 1iti h GLU 118 N 0.10 -0.19 -1.06 1.13 4.57 0.13 0.68 114.58 119.94 1iti h GLU 118 Ca 0.01 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.48 1iti h GLU 118 Cb 0.83 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 29.36 1iti h GLU 118 CO 0.06 -0.13 0.67 0.07 -1.18 0.00 0.00 179.01 178.51 1iti h ARG 119 N -0.24 0.38 0.79 1.92 0.11 -1.43 -0.24 114.38 115.66 1iti h ARG 119 Ca -0.02 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 1iti h ARG 119 Cb 0.15 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.16 1iti h ARG 119 CO 0.03 0.25 -0.38 1.25 0.10 0.00 0.00 179.97 181.23 1iti h LEU 120 N 0.39 -0.90 -0.75 0.08 6.46 -1.32 0.23 115.31 119.50 1iti h LEU 120 Ca 0.62 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 58.57 1iti h LEU 120 Cb 1.56 0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 41.62 1iti h LEU 120 CO -0.34 -0.53 0.22 0.50 -0.62 0.00 0.00 178.44 177.67 1iti h LYS 121 N -1.28 0.30 -0.19 1.25 3.64 0.40 0.35 116.57 121.04 1iti h LYS 121 Ca -0.11 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1iti h LYS 121 Cb 0.82 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1iti h LYS 121 CO 0.18 0.20 0.12 1.15 -2.27 0.00 0.00 179.45 178.83 1iti h THR 122 N 0.31 1.07 -0.36 1.00 2.02 -0.98 -2.67 112.91 113.31 1iti h THR 122 Ca 0.43 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.49 1iti h THR 122 Cb 0.72 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1iti h THR 122 CO -0.49 0.07 0.05 0.40 0.37 0.00 0.00 175.52 175.92 1iti h ILE 123 N 0.24 0.79 -0.13 3.11 2.04 0.10 -1.87 117.51 121.79 1iti h ILE 123 Ca 0.07 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1iti h ILE 123 Cb 0.01 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1iti h ILE 123 CO -0.01 0.03 -0.54 0.24 0.00 0.00 0.00 178.15 177.87 1iti h MET 124 N 0.16 -0.56 -0.56 2.37 2.86 -0.80 0.54 114.93 118.93 1iti h MET 124 Ca 0.17 0.04 0.16 0.00 -2.06 0.00 0.00 59.70 58.01 1iti h MET 124 Cb 0.21 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1iti h MET 124 CO -0.25 -0.37 0.49 0.00 1.06 0.00 0.00 176.91 177.84 1iti h ARG 125 N -0.58 0.00 0.38 1.72 3.08 -1.15 0.11 114.38 117.94 1iti h ARG 125 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1iti h ARG 125 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1iti h ARG 125 CO -0.44 0.00 -0.18 1.49 -1.07 0.00 0.00 179.97 179.77 1iti h GLU 126 N 0.00 -0.49 0.00 0.04 4.57 0.86 -2.88 114.58 116.68 1iti h GLU 126 Ca 0.27 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1iti h GLU 126 Cb 1.25 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 1iti h GLU 126 CO -0.00 -0.33 0.00 1.63 -1.18 0.00 0.00 179.01 179.13 1iti n LYS 127 N -3.86 0.03 0.00 1.92 5.02 -0.69 -2.38 118.16 118.19 1iti n LYS 127 Ca -0.06 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1iti n LYS 127 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.46 0.00 -2.52 2.13 9.36 0.34 -4.73 117.16 120.29 1iti n TYR 128 Ca 0.02 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.81 1iti n TYR 128 Cb 0.09 -0.05 -0.02 0.00 -0.63 0.00 0.00 39.34 38.73 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 -0.66 6.57 0.00 2.98 0.15 -1.00 -4.76 113.70 116.97 1iti s SER 129 Ca 0.00 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1iti s SER 129 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1iti s SER 129 CO 0.00 -1.28 0.00 2.29 1.20 0.00 0.00 173.24 175.45 1iti n LYS 130 N 7.83 0.00 -0.29 5.44 2.85 -1.26 -4.98 118.16 127.75 1iti n LYS 130 Ca 0.13 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.59 1iti n LYS 130 Cb 0.48 0.00 0.48 0.00 -0.65 0.00 0.00 35.03 35.34 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s SER 132 N -5.49 6.55 0.00 0.00 0.01 -1.26 -5.11 113.70 108.39 1iti s SER 132 Ca -0.09 -2.00 0.25 0.00 1.31 0.00 0.00 55.95 55.42 1iti s SER 132 Cb 0.24 -2.34 1.51 0.00 0.21 0.00 0.00 66.02 65.63 1iti s SER 132 CO 0.79 -1.00 1.87 -0.24 0.41 0.00 0.00 173.24 175.07