#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 3.35 -0.32 0.62 0.00 -1.26 -4.93 121.76 119.21 1iti s ALA 2 Ca 0.00 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.49 1iti s ALA 2 Cb 0.00 -3.33 0.19 0.00 0.00 0.00 0.00 23.12 19.97 1iti s ALA 2 CO 0.00 -1.89 0.93 -2.00 0.00 0.00 0.00 175.76 172.79 1iti s GLU 3 N 2.80 0.31 -0.30 0.00 2.12 -1.26 -5.13 118.70 117.24 1iti s GLU 3 Ca 0.20 0.05 -0.10 0.00 0.36 0.00 0.00 54.97 55.47 1iti s GLU 3 Cb -0.16 0.07 0.18 0.00 0.26 0.00 0.00 34.13 34.49 1iti s GLU 3 CO 0.16 -0.50 0.97 0.00 -0.54 0.00 0.00 175.26 175.35 1iti s ALA 4 N 2.38 -3.35 0.37 6.30 0.00 -1.26 -5.17 121.76 121.03 1iti s ALA 4 Ca 0.19 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.60 1iti s ALA 4 Cb -0.01 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.59 1iti s ALA 4 CO -0.18 -1.57 0.00 0.72 0.00 0.00 0.00 175.76 174.73 1iti n HIS 5 N 5.41 -1.21 -1.90 0.00 8.25 -1.26 -5.05 115.22 119.45 1iti n HIS 5 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1iti n HIS 5 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1iti n HIS 5 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1iti n LYS 6 N -0.36 0.00 -1.62 -0.41 4.81 -1.26 -5.11 118.16 114.21 1iti n LYS 6 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 56.90 1iti n LYS 6 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iti s ASP 8 N 1.42 6.84 0.39 0.00 -1.08 -1.26 -4.87 116.67 118.10 1iti s ASP 8 Ca 0.89 1.93 0.19 0.00 -0.52 0.00 0.00 52.55 55.04 1iti s ASP 8 Cb -1.02 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 38.63 1iti s ASP 8 CO 0.54 -0.82 1.76 -0.29 0.52 0.00 0.00 175.17 176.88 1iti h ILE 9 N 5.47 0.85 -0.47 4.11 2.10 -2.01 -3.11 117.51 124.45 1iti h ILE 9 Ca -0.32 -1.43 0.06 0.00 1.08 0.00 0.00 64.86 64.25 1iti h ILE 9 Cb 1.14 1.88 -0.05 0.00 -1.09 0.00 0.00 36.82 38.69 1iti h ILE 9 CO 0.96 0.34 0.16 0.74 -1.08 0.00 0.00 178.15 179.27 1iti h THR 10 N 0.00 0.83 0.00 2.19 2.02 -2.00 0.21 112.91 116.17 1iti h THR 10 Ca -0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1iti h THR 10 Cb 0.85 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1iti h THR 10 CO 0.05 0.06 -0.03 -0.07 0.37 0.00 0.00 175.52 175.90 1iti h LEU 11 N 0.33 0.00 0.01 2.58 3.38 -1.95 -2.21 115.31 117.44 1iti h LEU 11 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1iti h LEU 11 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1iti h LEU 11 CO -0.24 0.03 -0.00 -0.61 0.09 0.00 0.00 178.44 177.71 1iti h GLN 12 N 0.00 -0.01 -0.63 1.13 5.75 -0.68 -2.78 115.11 117.90 1iti h GLN 12 Ca -0.00 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1iti h GLN 12 Cb 0.18 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 1iti h GLN 12 CO 0.00 -0.00 0.76 1.05 -2.65 0.00 0.00 178.83 177.99 1iti h GLU 13 N -0.03 0.00 0.42 1.69 4.11 -1.37 -0.88 114.58 118.52 1iti h GLU 13 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1iti h GLU 13 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iti h GLU 13 CO 0.00 0.00 -0.20 0.82 0.07 0.00 0.00 179.01 179.70 1iti h ILE 14 N 0.00 0.00 -0.56 -1.06 2.04 -1.44 -2.47 117.51 114.02 1iti h ILE 14 Ca 0.30 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.88 1iti h ILE 14 Cb 1.82 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.79 1iti h ILE 14 CO -0.00 0.00 -0.16 0.40 0.00 0.00 0.00 178.15 178.39 1iti h ILE 15 N -0.95 0.41 -0.87 -0.67 2.04 -0.88 0.25 117.51 116.84 1iti h ILE 15 Ca -0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.97 1iti h ILE 15 Cb 0.43 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 36.82 1iti h ILE 15 CO 0.09 0.00 0.43 0.11 0.00 0.00 0.00 178.15 178.78 1iti h LYS 16 N -0.02 0.54 -0.90 2.37 1.57 -1.49 0.25 116.57 118.89 1iti h LYS 16 Ca 0.27 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1iti h LYS 16 Cb 0.43 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1iti h LYS 16 CO -0.59 0.36 0.59 1.15 -0.57 0.00 0.00 179.45 180.39 1iti h THR 17 N 0.56 1.12 0.16 -0.16 2.02 -0.02 -2.31 112.91 114.27 1iti h THR 17 Ca 0.49 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1iti h THR 17 Cb 0.78 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1iti h THR 17 CO -0.41 0.20 -0.09 -0.07 0.37 0.00 0.00 175.52 175.52 1iti h LEU 18 N 1.09 -0.22 -0.94 2.58 3.38 -0.02 -2.08 115.31 119.10 1iti h LEU 18 Ca 0.37 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.53 1iti h LEU 18 Cb 0.09 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 1iti h LEU 18 CO -0.12 -0.15 0.53 0.78 0.09 0.00 0.00 178.44 179.57 1iti h ASN 19 N -0.24 0.65 -0.20 -0.43 2.35 -1.06 -0.08 115.58 116.58 1iti h ASN 19 Ca -0.02 0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1iti h ASN 19 Cb 0.19 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1iti h ASN 19 CO 0.02 0.22 0.11 0.28 -1.65 0.00 0.00 177.43 176.41 1iti h SER 20 N 0.67 0.19 -0.95 5.81 0.02 -1.02 -1.94 113.55 116.32 1iti h SER 20 Ca 0.54 0.00 0.19 0.00 -0.84 0.00 0.00 61.79 61.68 1iti h SER 20 Cb 0.85 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 63.25 1iti h SER 20 CO -0.40 0.14 0.53 -0.07 -1.14 0.00 0.00 176.83 175.89 1iti h LEU 21 N 0.24 0.65 -0.66 5.07 3.38 -0.45 0.10 115.31 123.64 1iti h LEU 21 Ca 0.08 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1iti h LEU 21 Cb -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1iti h LEU 21 CO -0.04 0.22 0.35 0.71 0.09 0.00 0.00 178.44 179.77 1iti h THR 22 N 0.67 1.21 -0.63 0.22 1.35 -0.98 -1.64 112.91 113.11 1iti h THR 22 Ca 0.55 -0.54 0.15 0.00 -0.55 0.00 0.00 66.41 66.02 1iti h THR 22 Cb 0.87 0.36 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 1iti h THR 22 CO -0.40 0.23 0.43 -0.33 -0.25 0.00 0.00 175.52 175.20 1iti h GLU 23 N 0.90 0.19 -5.76 4.72 4.39 -0.40 -3.38 114.58 115.23 1iti h GLU 23 Ca 0.23 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.33 1iti h GLU 23 Cb 0.05 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.58 1iti h GLU 23 CO -0.04 0.12 -0.21 -0.65 -1.16 0.00 0.00 179.01 177.08 1iti s GLN 24 N -5.20 4.18 -0.04 2.33 1.11 -0.62 -5.07 119.66 116.35 1iti s GLN 24 Ca -0.06 0.34 0.01 0.00 0.01 0.00 0.00 55.36 55.66 1iti s GLN 24 Cb 0.20 -3.36 0.02 0.00 -1.01 0.00 0.00 33.01 28.86 1iti s GLN 24 CO 0.75 0.35 -0.04 0.15 0.01 0.00 0.00 175.29 176.51 1iti s LYS 25 N 0.03 0.76 0.11 2.91 3.01 -1.26 -4.91 119.74 120.38 1iti s LYS 25 Ca 0.23 -0.07 0.01 0.00 -1.01 0.00 0.00 55.97 55.12 1iti s LYS 25 Cb -0.15 -0.81 -0.00 0.00 -1.01 0.00 0.00 37.83 35.86 1iti s LYS 25 CO 0.10 -0.10 0.12 0.25 0.51 0.00 0.00 175.35 176.23 1iti n THR 26 N 4.12 0.00 0.67 2.17 -2.24 -1.26 -5.01 114.28 112.73 1iti n THR 26 Ca -0.24 -0.64 0.11 0.00 -2.27 0.00 0.00 64.05 61.01 1iti n THR 26 Cb 0.51 0.36 0.46 0.00 -2.10 0.00 0.00 70.33 69.55 1iti n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti n LEU 27 N 0.00 0.24 0.00 3.22 -0.00 -1.26 -2.87 117.00 116.33 1iti n LEU 27 Ca 0.01 0.54 0.02 0.00 -0.00 0.00 0.00 56.01 56.59 1iti n LEU 27 Cb 0.18 -0.48 0.13 0.00 -0.00 0.00 0.00 43.42 43.25 1iti n LEU 27 CO 0.09 -0.21 0.48 0.00 -0.00 0.00 0.00 177.39 177.76 1iti n THR 29 N -1.24 0.15 0.84 0.00 -2.24 -1.14 -3.49 114.28 107.17 1iti n THR 29 Ca 0.03 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1iti n THR 29 Cb 0.04 -0.05 0.40 0.00 -2.10 0.00 0.00 70.33 68.62 1iti n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 30 N -1.75 0.11 -2.61 -0.78 1.02 -0.01 -4.29 120.64 112.33 1iti n GLU 30 Ca 0.05 0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1iti n GLU 30 Cb 0.38 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 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 -3.54 4.40 -0.16 -4.62 1.43 -1.23 -4.99 118.68 109.97 1iti s LEU 31 Ca 0.11 1.83 -0.24 0.00 -1.03 0.00 0.00 54.13 54.80 1iti s LEU 31 Cb 0.16 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 1iti s LEU 31 CO 0.62 -0.28 0.76 0.42 0.23 0.00 0.00 176.35 178.10 1iti s THR 32 N 0.72 4.94 0.37 5.49 -4.23 -1.26 -3.41 115.64 118.25 1iti s THR 32 Ca 0.53 1.48 -0.01 0.00 -1.18 0.00 0.00 61.69 62.51 1iti s THR 32 Cb -0.25 -4.07 -0.04 0.00 1.34 0.00 0.00 72.50 69.49 1iti s THR 32 CO 0.29 0.08 0.60 0.68 -0.54 0.00 0.00 174.62 175.73 1iti s VAL 33 N 1.91 5.06 -0.51 2.29 -7.23 0.12 -4.87 120.40 117.16 1iti s VAL 33 Ca 0.35 -0.26 -0.28 0.00 -1.81 0.00 0.00 61.98 59.99 1iti s VAL 33 Cb -0.16 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1iti s VAL 33 CO 0.13 -0.58 1.57 -0.89 -0.31 0.00 0.00 175.10 175.01 1iti s THR 34 N -2.37 3.66 1.11 5.32 2.01 -1.26 -2.27 115.64 121.84 1iti s THR 34 Ca 0.42 0.57 -0.19 0.00 0.31 0.00 0.00 61.69 62.80 1iti s THR 34 Cb -0.10 -4.16 0.09 0.00 0.01 0.00 0.00 72.50 68.34 1iti s THR 34 CO 0.37 -0.93 -0.11 -0.67 -0.69 0.00 0.00 174.62 172.59 1iti n ASP 35 N 10.25 -2.48 0.00 3.53 -0.08 -1.26 -4.91 116.55 121.60 1iti n ASP 35 Ca 0.16 -0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1iti n ASP 35 Cb 0.49 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 43.05 1iti n ASP 35 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1iti n ILE 36 N -4.39 0.00 0.41 5.18 -5.35 -1.26 -4.64 119.36 109.31 1iti n ILE 36 Ca 0.01 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.62 1iti n ILE 36 Cb 0.62 0.00 0.45 0.00 -1.74 0.00 0.00 39.64 38.97 1iti n ILE 36 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 1iti h PHE 37 N 0.00 0.00 0.00 4.28 0.04 -1.98 -2.90 116.94 116.38 1iti h PHE 37 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1iti h PHE 37 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1iti h PHE 37 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1iti n ALA 38 N -1.90 1.36 -3.33 2.45 0.00 -1.26 -4.00 120.51 113.83 1iti n ALA 38 Ca 0.03 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 1iti n ALA 38 Cb 0.36 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 1iti n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iti s ALA 39 N -3.34 -0.23 -0.44 0.00 0.00 -1.10 -4.93 121.76 111.72 1iti s ALA 39 Ca 0.02 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 50.84 1iti s ALA 39 Cb 0.07 -2.02 0.21 0.00 0.00 0.00 0.00 23.12 21.39 1iti s ALA 39 CO 0.26 -2.14 0.57 0.43 0.00 0.00 0.00 175.76 174.89 1iti n SER 40 N 3.95 -1.25 0.00 0.00 7.64 -1.26 -4.99 113.62 117.72 1iti n SER 40 Ca 0.14 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1iti n SER 40 Cb 0.46 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1iti n SER 40 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1iti n LYS 41 N 2.15 0.00 0.00 1.43 2.85 -1.26 -4.37 118.16 118.96 1iti n LYS 41 Ca 0.21 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1iti n LYS 41 Cb 0.54 -0.17 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 1iti n LYS 41 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1iti n ASP 42 N -0.80 0.25 -4.77 -5.58 5.75 -1.26 -4.74 116.55 105.39 1iti n ASP 42 Ca 0.00 -1.30 -0.39 0.00 -0.01 0.00 0.00 54.79 53.10 1iti n ASP 42 Cb 0.00 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 39.91 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1iti s THR 43 N -1.61 4.90 0.61 2.12 -4.23 -1.26 -5.07 115.64 111.10 1iti s THR 43 Ca 0.00 1.19 -0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1iti s THR 43 Cb 0.00 -3.90 0.06 0.00 1.34 0.00 0.00 72.50 70.00 1iti s THR 43 CO 0.00 0.45 0.86 0.42 -0.54 0.00 0.00 174.62 175.81 1iti s THR 44 N -0.38 2.48 0.56 3.99 -4.23 -1.26 -4.95 115.64 111.85 1iti s THR 44 Ca 0.30 -0.59 0.25 0.00 -1.18 0.00 0.00 61.69 60.47 1iti s THR 44 Cb -0.18 -2.89 0.35 0.00 1.34 0.00 0.00 72.50 71.11 1iti s THR 44 CO 0.17 0.00 2.10 -0.33 -0.54 0.00 0.00 174.62 176.02 1iti h GLU 45 N -0.17 0.00 0.73 3.99 3.07 -1.99 -2.46 114.58 117.75 1iti h GLU 45 Ca -0.41 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.41 1iti h GLU 45 Cb 1.29 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.21 1iti h GLU 45 CO 0.50 0.00 -0.35 0.87 -1.40 0.00 0.00 179.01 178.63 1iti h LYS 46 N 0.00 -0.95 0.00 2.33 1.79 -1.98 -2.04 116.57 115.72 1iti h LYS 46 Ca 0.10 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1iti h LYS 46 Cb 0.46 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1iti h LYS 46 CO -0.00 -0.61 0.03 0.39 -1.08 0.00 0.00 179.45 178.17 1iti n GLU 47 N -5.44 0.02 -0.06 3.15 -0.58 -0.96 -2.27 120.64 114.50 1iti n GLU 47 Ca -0.13 0.49 -0.04 0.00 -0.42 0.00 0.00 57.16 57.07 1iti n GLU 47 Cb 0.40 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 1iti n GLU 47 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1iti h THR 48 N 0.00 0.46 -0.32 2.62 2.02 -1.03 -2.70 112.91 113.96 1iti h THR 48 Ca 0.00 -1.34 0.05 0.00 0.77 0.00 0.00 66.41 65.89 1iti h THR 48 Cb 0.05 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1iti h THR 48 CO 0.00 0.16 0.22 -0.26 0.37 0.00 0.00 175.52 176.00 1iti h PHE 49 N -1.00 0.21 0.52 3.16 0.04 -1.04 -2.01 116.94 116.81 1iti h PHE 49 Ca -0.00 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 1iti h PHE 49 Cb 0.26 -0.07 0.01 0.00 2.20 0.00 0.00 35.95 38.34 1iti h PHE 49 CO 0.07 0.12 -0.25 0.00 -0.60 0.00 0.00 178.31 177.65 1iti h ARG 51 N -1.05 0.42 0.06 0.00 3.08 -1.26 0.16 114.38 115.79 1iti h ARG 51 Ca -0.07 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1iti h ARG 51 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1iti h ARG 51 CO 0.12 0.28 -0.03 0.00 -1.07 0.00 0.00 179.97 179.27 1iti h ALA 52 N 1.76 -0.08 -0.63 0.04 0.00 -1.32 -2.59 119.26 116.44 1iti h ALA 52 Ca 0.63 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.52 1iti h ALA 52 Cb 1.28 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1iti h ALA 52 CO -0.54 -0.52 0.40 0.00 0.00 0.00 0.00 179.25 178.59 1iti h ALA 53 N 0.82 0.80 -0.73 0.00 0.00 -0.04 -2.09 119.26 118.03 1iti h ALA 53 Ca -0.01 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1iti h ALA 53 Cb 0.10 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 17.56 1iti h ALA 53 CO 0.01 0.18 0.18 1.15 0.00 0.00 0.00 179.25 180.78 1iti h THR 54 N 0.80 0.53 0.86 0.00 2.02 -0.66 0.12 112.91 116.58 1iti h THR 54 Ca 0.24 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 1iti h THR 54 Cb -0.04 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1iti h THR 54 CO -0.08 0.05 -0.41 0.58 0.37 0.00 0.00 175.52 176.03 1iti h VAL 55 N 0.28 0.01 -1.14 3.16 2.07 -1.02 -2.50 116.25 117.11 1iti h VAL 55 Ca 0.41 -0.15 0.32 0.00 0.82 0.00 0.00 66.70 68.10 1iti h VAL 55 Cb 0.69 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.39 1iti h VAL 55 CO -0.50 0.00 0.76 -0.07 0.02 0.00 0.00 177.57 177.78 1iti h LEU 56 N -1.30 0.29 0.49 2.57 3.38 -0.93 -0.52 115.31 119.28 1iti h LEU 56 Ca -0.12 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1iti h LEU 56 Cb 0.89 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1iti h LEU 56 CO 0.19 0.02 -0.24 -0.09 0.09 0.00 0.00 178.44 178.42 1iti h ARG 57 N 0.23 -0.63 0.00 1.13 2.43 -0.36 -1.50 114.38 115.68 1iti h ARG 57 Ca 0.63 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.84 1iti h ARG 57 Cb 1.92 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1iti h ARG 57 CO -0.24 -0.42 0.00 0.00 -1.51 0.00 0.00 179.97 177.80 1iti n GLN 58 N -3.77 0.06 0.00 0.20 10.64 -0.58 -1.40 117.38 122.53 1iti n GLN 58 Ca -0.08 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1iti n GLN 58 Cb 0.26 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.14 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 -1.21 0.00 1.64 2.61 7.35 -0.31 -3.43 117.46 124.11 1iti n PHE 59 Ca 0.02 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.84 1iti n PHE 59 Cb 0.02 -0.37 0.76 0.00 0.35 0.00 0.00 39.48 40.25 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 -2.10 0.00 -0.07 -5.13 0.18 -0.81 -2.27 117.16 106.95 1iti n TYR 60 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 1iti n TYR 60 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 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 -0.99 1.96 -0.06 9.48 7.64 -0.49 -3.90 113.62 127.26 1iti n SER 61 Ca 0.19 0.33 -0.04 0.00 1.01 0.00 0.00 58.87 60.36 1iti n SER 61 Cb 0.09 -0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 62.37 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 -4.07 0.82 -0.22 1.43 8.25 -1.22 -4.04 115.22 116.17 1iti n HIS 62 Ca -0.34 0.36 -0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1iti n HIS 62 Cb 0.83 -0.71 0.07 0.00 1.12 0.00 0.00 29.99 31.30 1iti n HIS 62 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1iti h HIS 63 N -0.88 -0.36 -1.18 4.41 3.86 -1.64 0.75 115.15 120.11 1iti h HIS 63 Ca 0.00 0.06 0.34 0.00 -1.16 0.00 0.00 60.37 59.61 1iti h HIS 63 Cb 0.45 0.26 -0.08 0.00 1.06 0.00 0.00 27.41 29.10 1iti h HIS 63 CO -0.20 -0.29 0.80 1.49 0.86 0.00 0.00 177.93 180.60 1iti h GLU 64 N -0.00 0.18 0.00 2.45 4.22 -1.68 1.19 114.58 120.94 1iti h GLU 64 Ca 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1iti h GLU 64 Cb 0.48 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1iti h GLU 64 CO -0.68 0.12 -0.91 1.63 -2.18 0.00 0.00 179.01 176.99 1iti n LYS 65 N -4.45 0.48 -3.27 1.92 5.02 0.24 -4.88 118.16 113.23 1iti n LYS 65 Ca 0.28 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.36 1iti n LYS 65 Cb 1.15 -1.76 -0.05 0.00 -0.02 0.00 0.00 35.03 34.35 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 -4.89 6.60 0.00 4.39 -1.08 0.41 -4.92 116.67 117.18 1iti s ASP 66 Ca 0.02 0.98 0.00 0.00 -0.52 0.00 0.00 52.55 53.02 1iti s ASP 66 Cb 0.11 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 1iti s ASP 66 CO 0.77 -0.17 1.56 0.35 0.52 0.00 0.00 175.17 178.20 1iti n THR 67 N -0.50 1.56 0.00 1.71 -2.24 -1.26 -4.30 114.28 109.25 1iti n THR 67 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1iti n THR 67 Cb 0.53 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 1.55 0.00 -0.99 -0.78 3.00 -1.26 -4.37 116.66 113.80 1iti n ARG 68 Ca 0.00 0.16 -0.20 0.00 -0.01 0.00 0.00 57.85 57.80 1iti n ARG 68 Cb 0.40 -0.66 0.14 0.00 0.00 0.00 0.00 32.46 32.34 1iti n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1iti h LEU 70 N 1.08 0.39 0.00 0.00 3.38 -1.78 -3.45 115.31 114.93 1iti h LEU 70 Ca 0.51 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1iti h LEU 70 Cb 2.39 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 43.02 1iti h LEU 70 CO 0.91 1.72 0.00 0.61 0.09 0.00 0.00 178.44 181.78 1iti n GLY 71 N 1.82 -1.19 0.00 0.83 0.00 -1.26 -4.13 105.19 101.26 1iti n GLY 71 Ca -0.28 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 2.54 1.03 -0.56 4.61 0.00 -1.26 -4.98 120.51 121.89 1iti n ALA 72 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1iti n ALA 72 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.07 0.00 0.87 0.00 -1.04 -1.26 -4.87 114.28 106.91 1iti n THR 73 Ca 0.00 -0.39 0.12 0.00 -2.04 0.00 0.00 64.05 61.74 1iti n THR 73 Cb 0.00 -0.80 0.29 0.00 -1.82 0.00 0.00 70.33 68.00 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 -4.75 3.16 -0.02 2.41 0.00 -1.26 -3.28 120.51 116.76 1iti n ALA 74 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1iti n ALA 74 Cb 0.58 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 1iti n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iti n GLN 75 N -1.69 0.64 0.08 0.00 10.64 -1.26 -4.05 117.38 121.75 1iti n GLN 75 Ca 0.05 0.30 -0.08 0.00 -1.83 0.00 0.00 57.00 55.44 1iti n GLN 75 Cb 0.37 -1.79 -0.08 0.00 -0.86 0.00 0.00 30.24 27.88 1iti n GLN 75 CO 0.00 0.00 0.00 0.37 -1.83 0.00 0.00 177.06 175.60 1iti h GLN 76 N 0.01 0.07 -0.34 2.61 4.15 -1.90 -2.72 115.11 116.99 1iti h GLN 76 Ca -0.29 -0.10 0.05 0.00 0.77 0.00 0.00 58.65 59.07 1iti h GLN 76 Cb 2.01 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 29.69 1iti h GLN 76 CO 0.08 0.99 0.05 0.35 -1.93 0.00 0.00 178.83 178.37 1iti h PHE 77 N 0.03 0.07 -0.05 3.99 3.57 -1.69 0.18 116.94 123.04 1iti h PHE 77 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1iti h PHE 77 Cb 1.71 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.46 1iti h PHE 77 CO 0.01 -0.00 -0.10 1.25 -2.23 0.00 0.00 178.31 177.24 1iti h HIS 78 N 0.16 0.19 -0.70 0.41 2.76 -1.70 -2.68 115.15 113.58 1iti h HIS 78 Ca 0.16 -0.07 0.20 0.00 -2.20 0.00 0.00 60.37 58.47 1iti h HIS 78 Cb 0.19 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1iti h HIS 78 CO -0.20 0.69 0.51 -0.09 -1.30 0.00 0.00 177.93 177.54 1iti h ARG 79 N -0.37 0.00 0.03 5.26 2.43 -1.17 -1.06 114.38 119.49 1iti h ARG 79 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iti h ARG 79 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1iti h ARG 79 CO 0.02 0.00 -0.01 1.25 -1.51 0.00 0.00 179.97 179.72 1iti h HIS 80 N 0.00 -0.04 -0.60 2.20 2.76 -0.49 -2.98 115.15 116.01 1iti h HIS 80 Ca 0.33 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.62 1iti h HIS 80 Cb 1.34 0.01 -0.09 0.00 1.55 0.00 0.00 27.41 30.22 1iti h HIS 80 CO 0.00 0.59 0.07 0.87 -1.30 0.00 0.00 177.93 178.16 1iti h LYS 81 N -0.71 0.18 -0.61 5.26 1.57 -0.88 0.29 116.57 121.67 1iti h LYS 81 Ca -0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1iti h LYS 81 Cb 0.64 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 1iti h LYS 81 CO 0.01 0.12 0.25 0.37 -0.57 0.00 0.00 179.45 179.63 1iti h GLN 82 N 0.19 0.43 0.47 3.15 4.15 -1.43 -0.86 115.11 121.22 1iti h GLN 82 Ca 0.31 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 1iti h GLN 82 Cb 0.49 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1iti h GLN 82 CO -0.45 0.29 -0.49 1.25 -1.93 0.00 0.00 178.83 177.50 1iti h LEU 83 N 0.45 -1.34 -0.81 -2.39 6.46 -0.80 -1.03 115.31 115.84 1iti h LEU 83 Ca 0.30 0.11 0.17 0.00 -0.12 0.00 0.00 57.88 58.35 1iti h LEU 83 Cb 0.35 0.45 -0.11 0.00 -0.73 0.00 0.00 40.66 40.62 1iti h LEU 83 CO -0.28 -0.64 0.33 0.40 -0.62 0.00 0.00 178.44 177.62 1iti h ILE 84 N -0.97 0.58 -0.20 4.05 1.08 -0.94 -0.22 117.51 120.89 1iti h ILE 84 Ca -0.05 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 1iti h ILE 84 Cb 0.85 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 1iti h ILE 84 CO -0.08 0.08 -0.06 0.03 -0.69 0.00 0.00 178.15 177.44 1iti h ARG 85 N 0.42 -0.01 -0.38 2.37 3.08 -0.37 0.18 114.38 119.67 1iti h ARG 85 Ca 0.47 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.59 1iti h ARG 85 Cb 0.79 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 1iti h ARG 85 CO -0.46 -0.01 -0.02 0.74 -1.07 0.00 0.00 179.97 179.15 1iti h PHE 86 N -0.01 -0.07 0.56 3.04 0.04 0.22 -1.45 116.94 119.27 1iti h PHE 86 Ca 0.10 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1iti h PHE 86 Cb 0.16 0.09 0.01 0.00 2.20 0.00 0.00 35.95 38.40 1iti h PHE 86 CO -0.22 -0.10 -0.27 -0.07 -0.60 0.00 0.00 178.31 177.05 1iti h LEU 87 N 0.08 -0.63 -1.29 1.54 3.38 -0.79 -1.64 115.31 115.94 1iti h LEU 87 Ca 0.19 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1iti h LEU 87 Cb 0.27 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1iti h LEU 87 CO -0.33 -0.36 0.60 0.11 0.09 0.00 0.00 178.44 178.55 1iti h LYS 88 N -0.89 0.00 0.00 1.13 1.57 -0.33 0.48 116.57 118.53 1iti h LYS 88 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1iti h LYS 88 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1iti h LYS 88 CO 0.13 0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.88 1iti n ARG 89 N -2.84 0.00 0.33 3.15 0.63 -0.58 -3.98 116.66 113.38 1iti n ARG 89 Ca 0.01 0.08 0.12 0.00 -0.92 0.00 0.00 57.85 57.13 1iti n ARG 89 Cb 0.66 -0.41 0.63 0.00 0.45 0.00 0.00 32.46 33.79 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 -0.93 6.15 8.10 -1.18 0.36 115.31 127.81 1iti h LEU 90 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.93 1iti h LEU 90 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 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 0.82 0.90 0.17 1.82 -0.21 -2.70 116.42 117.23 1iti h ASP 91 Ca 0.00 -0.17 -0.20 0.00 -0.39 0.00 0.00 57.03 56.27 1iti h ASP 91 Cb 0.98 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.74 1iti h ASP 91 CO -0.00 0.84 -1.18 0.03 -1.61 0.00 0.00 179.24 177.32 1iti h ARG 92 N 0.82 0.00 0.49 0.28 2.47 -0.42 -3.28 114.38 114.74 1iti h ARG 92 Ca 0.17 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1iti h ARG 92 Cb 0.37 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1iti h ARG 92 CO 0.01 0.59 -0.30 -0.91 0.56 0.00 0.00 179.97 179.92 1iti h ASN 93 N 0.00 -0.76 0.06 7.04 -0.26 -1.17 0.92 115.58 121.40 1iti h ASN 93 Ca -0.12 0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1iti h ASN 93 Cb 1.71 0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 39.19 1iti h ASN 93 CO 0.08 -0.48 -0.05 -0.07 -1.06 0.00 0.00 177.43 175.86 1iti h LEU 94 N -0.76 -0.13 -0.53 1.61 3.38 -1.63 0.14 115.31 117.39 1iti h LEU 94 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iti h LEU 94 Cb 0.62 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1iti h LEU 94 CO 0.06 -0.07 0.40 1.87 0.09 0.00 0.00 178.44 180.79 1iti n TRP 95 N -2.51 0.27 0.00 1.13 -0.00 -1.23 -1.57 117.44 113.53 1iti n TRP 95 Ca -0.01 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 1iti n TRP 95 Cb 0.05 -0.44 0.00 0.00 -0.00 0.00 0.00 31.31 30.91 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 -1.26 -0.35 0.00 5.87 0.00 0.31 -2.80 105.19 106.97 1iti n GLY 96 Ca -0.01 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 -1.72 0.00 0.00 0.99 -0.00 -0.79 -3.24 117.00 112.25 1iti n LEU 97 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1iti n LEU 97 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1iti n LEU 97 CO 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 177.39 177.29 1iti n ALA 98 N -1.10 0.00 -1.25 1.47 0.00 -0.61 -5.08 120.51 113.94 1iti n ALA 98 Ca 0.00 -0.04 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 2.20 -1.66 2.72 0.00 0.00 -1.12 -5.08 105.19 102.26 1iti n GLY 99 Ca 0.00 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.31 0.09 0.08 0.99 1.43 -1.26 -5.03 118.68 114.66 1iti s LEU 100 Ca 0.00 -1.69 -0.29 0.00 -1.03 0.00 0.00 54.13 51.11 1iti s LEU 100 Cb 0.00 0.44 -0.13 0.00 0.03 0.00 0.00 46.19 46.52 1iti s LEU 100 CO 0.00 -0.26 1.46 0.78 0.23 0.00 0.00 176.35 178.56 1iti h ASN 101 N 7.01 -1.27 -3.36 2.29 -0.26 -2.00 -3.39 115.58 114.61 1iti h ASN 101 Ca 0.06 0.12 -0.58 0.00 -0.56 0.00 0.00 56.30 55.34 1iti h ASN 101 Cb 1.04 0.45 -0.08 0.00 -1.06 0.00 0.00 38.32 38.68 1iti h ASN 101 CO 0.20 -0.51 -0.04 -0.94 -1.06 0.00 0.00 177.43 175.09 1iti s SER 102 N -4.17 6.76 -0.44 5.81 1.04 -1.26 -4.96 113.70 116.48 1iti s SER 102 Ca -0.14 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.24 1iti s SER 102 Cb 0.04 -2.33 0.26 0.00 0.10 0.00 0.00 66.02 64.10 1iti s SER 102 CO 0.50 -0.08 1.03 0.00 0.98 0.00 0.00 173.24 175.68 1iti s PRO 104 N 0.46 1.65 0.64 0.00 0.05 -1.26 -4.95 135.00 131.59 1iti s PRO 104 Ca 0.29 1.51 0.01 0.00 0.05 0.00 0.00 61.00 62.85 1iti s PRO 104 Cb 0.24 -1.80 0.09 0.00 0.05 0.00 0.00 34.50 33.07 1iti s PRO 104 CO -0.18 -2.16 0.89 0.54 0.05 0.00 0.00 177.00 176.14 1iti s VAL 105 N -2.54 2.35 0.00 -0.36 0.11 -1.26 -5.02 120.40 113.69 1iti s VAL 105 Ca 0.67 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 1iti s VAL 105 Cb -0.23 -2.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1iti s VAL 105 CO 0.54 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.48 1iti n LYS 106 N -2.58 0.00 -2.98 1.54 4.81 -1.26 -5.18 118.16 112.51 1iti n LYS 106 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.47 1iti n LYS 106 Cb 0.60 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.62 1iti n LYS 106 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1iti n GLU 107 N 0.00 0.26 0.00 1.64 -0.58 -1.26 -5.18 120.64 115.52 1iti n GLU 107 Ca 0.00 -1.55 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 1iti n GLU 107 Cb 0.00 1.35 0.00 0.00 -0.57 0.00 0.00 31.44 32.22 1iti n GLU 107 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iti n ALA 108 N -1.87 0.00 -1.20 0.62 0.00 -1.26 -4.94 120.51 111.86 1iti n ALA 108 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1iti n ALA 108 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.61 0.00 8.00 -1.26 -4.89 116.55 114.78 1iti n ASP 109 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 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 0.35 0.42 0.12 -1.24 0.74 -1.26 -4.47 119.66 114.33 1iti s GLN 110 Ca 0.00 0.26 -0.15 0.00 0.05 0.00 0.00 55.36 55.52 1iti s GLN 110 Cb 0.00 0.20 0.03 0.00 1.10 0.00 0.00 33.01 34.34 1iti s GLN 110 CO 0.00 -0.10 0.37 -1.54 -0.55 0.00 0.00 175.29 173.47 1iti s SER 111 N -0.52 -0.17 0.08 6.67 1.04 -0.96 -4.73 113.70 115.11 1iti s SER 111 Ca 0.02 -0.39 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1iti s SER 111 Cb -0.03 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 1iti s SER 111 CO -0.04 -0.84 0.46 0.42 0.98 0.00 0.00 173.24 174.21 1iti s THR 112 N -3.82 4.98 0.56 2.02 -4.23 -1.26 0.14 115.64 114.03 1iti s THR 112 Ca 0.04 0.73 0.35 0.00 -1.18 0.00 0.00 61.69 61.63 1iti s THR 112 Cb 0.02 -3.71 0.52 0.00 1.34 0.00 0.00 72.50 70.67 1iti s THR 112 CO -0.11 0.38 1.75 0.25 -0.54 0.00 0.00 174.62 176.35 1iti h LEU 113 N 4.01 0.00 0.00 4.79 5.85 -1.74 0.26 115.31 128.48 1iti h LEU 113 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 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 -3.97 0.00 -0.29 1.25 0.00 -1.26 -2.16 120.64 114.21 1iti n GLU 114 Ca 0.23 0.25 0.11 0.00 0.00 0.00 0.00 57.16 57.75 1iti n GLU 114 Cb 1.22 -0.95 0.26 0.00 0.00 0.00 0.00 31.44 31.97 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1iti h ASN 115 N 0.00 0.14 -0.72 4.31 -0.26 -1.87 0.35 115.58 117.53 1iti h ASN 115 Ca 0.00 0.16 0.13 0.00 -0.56 0.00 0.00 56.30 56.04 1iti h ASN 115 Cb 0.00 0.19 -0.09 0.00 -1.06 0.00 0.00 38.32 37.36 1iti h ASN 115 CO 0.00 -0.05 0.26 0.15 -1.06 0.00 0.00 177.43 176.73 1iti h PHE 116 N 0.31 0.44 0.00 1.19 3.04 -0.60 0.62 116.94 121.93 1iti h PHE 116 Ca 0.51 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.49 1iti h PHE 116 Cb 0.96 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 1iti h PHE 116 CO -0.21 0.04 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.03 1iti h LEU 117 N 0.40 0.00 0.00 0.59 3.38 0.17 -2.57 115.31 117.29 1iti h LEU 117 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 1iti h LEU 117 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1iti h LEU 117 CO -0.40 0.02 -0.00 -0.08 0.09 0.00 0.00 178.44 178.07 1iti h GLU 118 N 0.00 -0.00 -1.05 1.13 4.57 0.11 -2.12 114.58 117.22 1iti h GLU 118 Ca -0.00 0.00 0.28 0.00 -1.18 0.00 0.00 59.36 58.46 1iti h GLU 118 Cb 0.48 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.96 1iti h GLU 118 CO 0.00 -0.00 0.65 0.07 -1.18 0.00 0.00 179.01 178.55 1iti h ARG 119 N -0.01 0.42 0.87 1.92 0.11 -1.43 -0.82 114.38 115.43 1iti h ARG 119 Ca -0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 1iti h ARG 119 Cb 0.00 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.00 1iti h ARG 119 CO 0.00 0.28 -0.42 1.25 0.10 0.00 0.00 179.97 181.18 1iti h LEU 120 N 0.43 -0.99 -1.00 0.08 6.46 -1.54 -0.85 115.31 117.89 1iti h LEU 120 Ca 0.64 0.03 0.27 0.00 -0.12 0.00 0.00 57.88 58.69 1iti h LEU 120 Cb 1.51 0.26 -0.13 0.00 -0.73 0.00 0.00 40.66 41.56 1iti h LEU 120 CO -0.39 -0.66 0.58 0.50 -0.62 0.00 0.00 178.44 177.86 1iti h LYS 121 N -1.27 0.49 0.37 1.25 3.64 -0.47 0.07 116.57 120.66 1iti h LYS 121 Ca -0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1iti h LYS 121 Cb 0.90 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1iti h LYS 121 CO 0.20 0.32 -0.18 1.15 -2.27 0.00 0.00 179.45 178.67 1iti h THR 122 N 0.50 0.64 -0.76 1.00 2.02 -0.93 -2.72 112.91 112.65 1iti h THR 122 Ca 0.67 -0.30 0.16 0.00 0.77 0.00 0.00 66.41 67.71 1iti h THR 122 Cb 1.34 0.79 -0.11 0.00 -1.74 0.00 0.00 68.15 68.43 1iti h THR 122 CO -0.51 0.06 0.25 0.40 0.37 0.00 0.00 175.52 176.08 1iti h ILE 123 N -0.67 0.55 0.06 3.11 2.04 0.43 -1.06 117.51 121.97 1iti h ILE 123 Ca -0.05 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1iti h ILE 123 Cb 0.48 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1iti h ILE 123 CO 0.08 0.06 -0.42 0.24 0.00 0.00 0.00 178.15 178.11 1iti h MET 124 N 0.34 -0.60 0.00 2.37 2.86 -1.03 0.41 114.93 119.29 1iti h MET 124 Ca 0.43 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1iti h MET 124 Cb 0.73 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1iti h MET 124 CO -0.48 -0.40 0.05 0.00 1.06 0.00 0.00 176.91 177.15 1iti h ARG 125 N -0.62 0.00 0.08 1.72 3.08 -0.94 0.52 114.38 118.21 1iti h ARG 125 Ca 0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 1iti h ARG 125 Cb 0.67 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.74 1iti h ARG 125 CO -0.28 0.00 -0.72 1.49 -1.07 0.00 0.00 179.97 179.39 1iti h GLU 126 N 0.00 0.35 0.00 0.04 4.81 0.93 -3.29 114.58 117.43 1iti h GLU 126 Ca 0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1iti h GLU 126 Cb 0.11 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1iti h GLU 126 CO 0.00 1.18 -0.50 1.63 -0.73 0.00 0.00 179.01 180.59 1iti n LYS 127 N -4.17 0.14 0.00 1.92 5.02 -0.23 -3.77 118.16 117.07 1iti n LYS 127 Ca -0.12 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1iti n LYS 127 Cb 0.75 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 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 -1.80 0.00 -2.53 2.13 9.36 0.17 -4.73 117.16 119.77 1iti n TYR 128 Ca 0.05 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.84 1iti n TYR 128 Cb 0.39 -0.04 -0.02 0.00 -0.63 0.00 0.00 39.34 39.04 1iti n TYR 128 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1iti s SER 129 N -0.79 6.73 0.00 2.98 1.04 -1.25 -4.72 113.70 117.69 1iti s SER 129 Ca 0.00 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1iti s SER 129 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1iti s SER 129 CO 0.00 -1.07 0.00 2.29 0.98 0.00 0.00 173.24 175.44 1iti n LYS 130 N 7.33 0.00 0.00 4.02 2.85 -1.26 -4.95 118.16 126.15 1iti n LYS 130 Ca 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1iti n LYS 130 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti s SER 132 N 0.64 -0.88 0.00 0.00 0.01 -1.26 -4.85 113.70 107.36 1iti s SER 132 Ca 0.00 -1.28 0.32 0.00 1.31 0.00 0.00 55.95 56.29 1iti s SER 132 Cb 0.00 1.58 1.82 0.00 0.21 0.00 0.00 66.02 69.62 1iti s SER 132 CO 0.00 -0.16 2.18 -1.20 0.41 0.00 0.00 173.24 174.47