#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iti n ALA 2 N 0.00 0.00 -3.16 4.31 0.00 -1.26 -5.16 120.51 115.25 1iti n ALA 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1iti n ALA 2 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1iti n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1iti s GLU 3 N 0.41 0.35 0.00 0.00 2.12 -1.26 -5.03 118.70 115.29 1iti s GLU 3 Ca 0.00 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.60 1iti s GLU 3 Cb 0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 1iti s GLU 3 CO 0.00 -0.05 0.80 0.00 -0.54 0.00 0.00 175.26 175.47 1iti n ALA 4 N 2.69 2.89 -3.50 6.30 0.00 -1.26 -5.09 120.51 122.55 1iti n ALA 4 Ca -0.14 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 1iti n ALA 4 Cb 0.58 -0.27 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 1iti n ALA 4 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1iti s HIS 5 N 0.00 -0.32 -0.31 0.00 -3.43 -1.26 -5.00 115.29 104.97 1iti s HIS 5 Ca 0.00 0.31 0.02 0.00 -0.80 0.00 0.00 55.06 54.59 1iti s HIS 5 Cb 0.00 -0.32 0.42 0.00 -1.43 0.00 0.00 32.58 31.25 1iti s HIS 5 CO 0.00 -0.59 1.65 1.63 -2.00 0.00 0.00 174.74 175.43 1iti n LYS 6 N 5.32 1.85 -1.56 -0.38 5.02 -1.26 -4.97 118.16 122.18 1iti n LYS 6 Ca -0.05 -1.98 -0.49 0.00 -2.02 0.00 0.00 58.31 53.77 1iti n LYS 6 Cb 0.50 -1.78 -0.04 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.19 7.07 0.06 0.00 -1.08 -1.26 -4.96 116.67 116.31 1iti s ASP 8 Ca 0.71 1.47 0.23 0.00 -0.52 0.00 0.00 52.55 54.44 1iti s ASP 8 Cb -0.86 -2.44 0.11 0.00 -1.46 0.00 0.00 42.92 38.28 1iti s ASP 8 CO 0.54 -0.00 1.09 0.00 0.52 0.00 0.00 175.17 177.32 1iti n ILE 9 N 0.61 0.20 -0.02 4.11 3.06 -1.26 -4.17 119.36 121.90 1iti n ILE 9 Ca -0.01 -0.25 -0.13 0.00 -2.50 0.00 0.00 62.75 59.86 1iti n ILE 9 Cb 0.51 0.14 -0.10 0.00 0.54 0.00 0.00 39.64 40.74 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 1.41 -0.02 9.51 2.02 -2.00 -2.60 112.91 121.23 1iti h THR 10 Ca 0.00 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 65.96 1iti h THR 10 Cb 0.73 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1iti h THR 10 CO 0.00 0.32 0.06 -0.07 0.37 0.00 0.00 175.52 176.20 1iti h LEU 11 N -0.46 0.00 0.00 2.58 3.38 -1.99 -1.85 115.31 116.97 1iti h LEU 11 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iti h LEU 11 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1iti h LEU 11 CO 0.00 0.00 0.00 1.67 0.09 0.00 0.00 178.44 180.20 1iti n GLN 12 N -3.38 0.00 0.26 1.13 7.27 -1.07 -2.30 117.38 119.28 1iti n GLN 12 Ca -0.02 0.48 0.08 0.00 0.07 0.00 0.00 57.00 57.61 1iti n GLN 12 Cb 0.13 -1.07 0.42 0.00 2.41 0.00 0.00 30.24 32.13 1iti n GLN 12 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1iti h GLU 13 N 0.00 0.00 0.05 3.69 4.11 -1.39 -1.60 114.58 119.44 1iti h GLU 13 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1iti h GLU 13 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1iti h GLU 13 CO 0.00 0.00 -0.02 0.82 0.07 0.00 0.00 179.01 179.88 1iti h ILE 14 N 0.00 0.00 -0.96 -1.06 2.04 -1.35 -1.95 117.51 114.22 1iti h ILE 14 Ca 0.00 -0.43 0.25 0.00 1.00 0.00 0.00 64.86 65.68 1iti h ILE 14 Cb 1.01 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.96 1iti h ILE 14 CO 0.00 0.00 0.50 0.40 0.00 0.00 0.00 178.15 179.05 1iti h ILE 15 N -0.50 0.45 -0.25 -0.67 2.04 -0.89 0.71 117.51 118.39 1iti h ILE 15 Ca -0.01 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 1iti h ILE 15 Cb 0.05 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.09 1iti h ILE 15 CO 0.01 0.08 -0.30 0.11 0.00 0.00 0.00 178.15 178.05 1iti h LYS 16 N 0.44 0.52 -0.15 2.37 1.57 -1.52 -2.68 116.57 117.12 1iti h LYS 16 Ca 0.63 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 1iti h LYS 16 Cb 1.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1iti h LYS 16 CO -0.54 0.77 -0.01 1.15 -0.57 0.00 0.00 179.45 180.25 1iti h THR 17 N 0.45 1.26 -0.77 -0.16 2.02 0.12 -2.69 112.91 113.13 1iti h THR 17 Ca 0.06 -0.88 0.08 0.00 0.77 0.00 0.00 66.41 66.44 1iti h THR 17 Cb 0.75 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.64 1iti h THR 17 CO 0.06 0.26 0.44 -0.07 0.37 0.00 0.00 175.52 176.57 1iti h LEU 18 N 0.00 0.64 -0.20 2.58 3.38 -1.01 -1.73 115.31 118.97 1iti h LEU 18 Ca 0.04 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1iti h LEU 18 Cb 0.40 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1iti h LEU 18 CO 0.01 0.38 -0.02 0.78 0.09 0.00 0.00 178.44 179.68 1iti h ASN 19 N 0.76 -0.13 -0.71 -0.43 -0.26 -1.31 -1.70 115.58 111.80 1iti h ASN 19 Ca 0.36 0.05 0.09 0.00 -0.56 0.00 0.00 56.30 56.24 1iti h ASN 19 Cb 0.29 0.10 -0.07 0.00 -1.06 0.00 0.00 38.32 37.58 1iti h ASN 19 CO -0.22 -0.04 0.36 0.28 -1.06 0.00 0.00 177.43 176.75 1iti h SER 20 N 0.03 0.47 -0.44 5.81 0.02 -1.01 -1.45 113.55 116.98 1iti h SER 20 Ca 0.10 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1iti h SER 20 Cb 0.13 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1iti h SER 20 CO -0.18 0.27 0.12 -0.07 -1.14 0.00 0.00 176.83 175.82 1iti h LEU 21 N 0.61 0.07 -0.72 5.07 3.38 -0.64 -1.30 115.31 121.78 1iti h LEU 21 Ca 0.35 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.49 1iti h LEU 21 Cb 0.35 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1iti h LEU 21 CO -0.26 0.07 0.34 0.71 0.09 0.00 0.00 178.44 179.39 1iti h THR 22 N 0.26 0.80 -1.03 0.22 1.35 -0.66 0.14 112.91 113.99 1iti h THR 22 Ca 0.22 -0.19 0.27 0.00 -0.55 0.00 0.00 66.41 66.15 1iti h THR 22 Cb 0.25 0.19 -0.07 0.00 -1.73 0.00 0.00 68.15 66.78 1iti h THR 22 CO -0.26 0.10 0.69 -0.33 -0.25 0.00 0.00 175.52 175.47 1iti h GLU 23 N 0.56 0.26 -6.15 4.72 5.08 -0.88 -3.39 114.58 114.78 1iti h GLU 23 Ca 0.37 -0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 58.13 1iti h GLU 23 Cb 0.44 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1iti h GLU 23 CO -0.31 0.17 -0.27 -1.14 -1.00 0.00 0.00 179.01 176.47 1iti s GLN 24 N -5.30 3.70 -0.09 2.33 0.74 0.48 -5.09 119.66 116.42 1iti s GLN 24 Ca -0.07 0.07 -0.08 0.00 0.05 0.00 0.00 55.36 55.33 1iti s GLN 24 Cb 0.24 -2.91 0.03 0.00 1.10 0.00 0.00 33.01 31.47 1iti s GLN 24 CO 0.79 0.51 0.24 0.15 -0.55 0.00 0.00 175.29 176.43 1iti s LYS 25 N -2.28 0.26 0.23 1.67 1.02 -1.26 -4.93 119.74 114.45 1iti s LYS 25 Ca 0.37 0.39 -0.07 0.00 0.02 0.00 0.00 55.97 56.68 1iti s LYS 25 Cb -0.13 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1iti s LYS 25 CO 0.21 -0.07 0.30 0.95 -0.92 0.00 0.00 175.35 175.82 1iti s THR 26 N 0.43 0.00 -0.49 2.17 -4.23 -1.26 -5.01 115.64 107.26 1iti s THR 26 Ca -0.02 -1.72 0.21 0.00 -1.18 0.00 0.00 61.69 58.98 1iti s THR 26 Cb -0.04 -2.36 0.21 0.00 1.34 0.00 0.00 72.50 71.65 1iti s THR 26 CO -0.02 0.00 1.62 0.00 -0.54 0.00 0.00 174.62 175.68 1iti n LEU 27 N -0.33 0.53 0.00 4.79 -0.00 -1.26 -2.09 117.00 118.64 1iti n LEU 27 Ca 0.00 0.67 0.01 0.00 -0.00 0.00 0.00 56.01 56.69 1iti n LEU 27 Cb 0.64 -0.64 0.04 0.00 -0.00 0.00 0.00 43.42 43.46 1iti n LEU 27 CO 0.28 -0.64 0.46 0.00 -0.00 0.00 0.00 177.39 177.49 1iti h THR 29 N 0.00 1.53 0.00 0.00 1.35 -1.85 -3.16 112.91 110.78 1iti h THR 29 Ca 0.00 -3.20 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1iti h THR 29 Cb 0.02 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1iti h THR 29 CO 0.00 0.90 0.00 -0.62 -0.25 0.00 0.00 175.52 175.55 1iti n GLU 30 N -3.40 0.10 -2.89 4.72 4.71 -0.28 -3.95 120.64 119.65 1iti n GLU 30 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.69 1iti n GLU 30 Cb 0.99 -1.48 -0.05 0.00 -1.01 0.00 0.00 31.44 29.89 1iti n GLU 30 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1iti s LEU 31 N -1.95 4.52 -0.30 -4.62 1.43 -1.20 -4.99 118.68 111.57 1iti s LEU 31 Ca 0.04 1.65 -0.19 0.00 -1.03 0.00 0.00 54.13 54.61 1iti s LEU 31 Cb 0.02 -3.39 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1iti s LEU 31 CO 0.03 0.06 0.55 0.42 0.23 0.00 0.00 176.35 177.64 1iti s THR 32 N -0.44 5.01 0.37 5.49 -4.23 -1.26 -3.06 115.64 117.51 1iti s THR 32 Ca 0.40 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1iti s THR 32 Cb -0.23 -3.92 0.07 0.00 1.34 0.00 0.00 72.50 69.76 1iti s THR 32 CO 0.27 -0.08 0.50 1.33 -0.54 0.00 0.00 174.62 176.10 1iti n VAL 33 N 5.32 0.00 -3.36 2.29 0.24 0.22 -4.81 118.33 118.23 1iti n VAL 33 Ca -0.03 -0.82 -0.38 0.00 -2.04 0.00 0.00 64.34 61.07 1iti n VAL 33 Cb 0.49 -1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 31.70 1iti n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1iti s THR 34 N -1.42 5.00 -0.12 3.34 2.01 -1.26 -1.15 115.64 122.04 1iti s THR 34 Ca 0.34 1.00 -0.25 0.00 0.31 0.00 0.00 61.69 63.09 1iti s THR 34 Cb -0.02 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1iti s THR 34 CO 0.22 0.48 0.81 -0.62 -0.69 0.00 0.00 174.62 174.82 1iti s ASP 35 N -0.48 7.01 -0.09 3.53 -1.08 -1.26 -4.72 116.67 119.58 1iti s ASP 35 Ca 0.26 1.23 0.13 0.00 -0.52 0.00 0.00 52.55 53.66 1iti s ASP 35 Cb -0.17 -2.45 -0.24 0.00 -1.46 0.00 0.00 42.92 38.60 1iti s ASP 35 CO 0.14 -0.29 0.48 2.30 0.52 0.00 0.00 175.17 178.32 1iti n ILE 36 N 4.34 1.55 0.29 4.11 -5.35 -1.26 -3.98 119.36 119.06 1iti n ILE 36 Ca 0.03 -0.81 0.14 0.00 -0.27 0.00 0.00 62.75 61.84 1iti n ILE 36 Cb 0.50 -0.90 0.42 0.00 -1.74 0.00 0.00 39.64 37.92 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 -1.99 -3.04 116.94 116.23 1iti h PHE 37 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1iti h PHE 37 Cb 2.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.23 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 -2.05 2.04 -3.11 2.45 0.00 -1.26 -4.17 120.51 114.40 1iti n ALA 38 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1iti n ALA 38 Cb 0.41 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.08 -2.69 -0.30 0.00 0.00 -1.15 -4.70 121.76 111.84 1iti s ALA 39 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1iti s ALA 39 Cb 0.00 -2.78 0.16 0.00 0.00 0.00 0.00 23.12 20.50 1iti s ALA 39 CO 0.00 -2.26 0.41 0.45 0.00 0.00 0.00 175.76 174.35 1iti s SER 40 N 1.80 0.45 -0.11 0.00 0.15 -1.26 -5.00 113.70 109.74 1iti s SER 40 Ca 0.17 -0.51 -0.14 0.00 0.70 0.00 0.00 55.95 56.16 1iti s SER 40 Cb -0.03 1.06 -0.27 0.00 -1.71 0.00 0.00 66.02 65.08 1iti s SER 40 CO -0.08 -0.34 0.50 0.11 1.20 0.00 0.00 173.24 174.63 1iti h LYS 41 N 8.04 0.24 -0.03 5.44 6.56 -1.99 -3.43 116.57 131.41 1iti h LYS 41 Ca -0.07 -0.42 -0.16 0.00 -1.06 0.00 0.00 60.65 58.94 1iti h LYS 41 Cb 1.11 0.16 -0.18 0.00 -0.57 0.00 0.00 32.23 32.75 1iti h LYS 41 CO 0.26 1.20 -0.39 -0.40 -2.06 0.00 0.00 179.45 178.06 1iti n ASP 42 N -3.84 -0.89 -4.78 0.86 5.75 -1.26 -5.12 116.55 107.27 1iti n ASP 42 Ca -0.27 -2.10 -0.39 0.00 -0.01 0.00 0.00 54.79 52.02 1iti n ASP 42 Cb 0.93 0.38 -0.06 0.00 -1.03 0.00 0.00 41.12 41.34 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 -0.21 4.55 0.00 2.12 -4.23 -1.26 -5.07 115.64 111.55 1iti s THR 43 Ca 0.08 1.53 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 1iti s THR 43 Cb 0.25 -4.06 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1iti s THR 43 CO -0.07 0.50 0.00 0.35 -0.54 0.00 0.00 174.62 174.86 1iti n THR 44 N 1.86 0.00 0.04 3.99 -2.24 -1.26 -4.94 114.28 111.73 1iti n THR 44 Ca -0.07 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1iti n THR 44 Cb 0.50 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 1iti n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iti n GLU 45 N 0.00 0.63 0.11 -0.78 1.02 -1.26 -4.00 120.64 116.36 1iti n GLU 45 Ca 0.00 0.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1iti n GLU 45 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 1iti n GLU 45 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1iti h LYS 46 N 0.00 -0.28 0.00 3.49 1.79 -1.98 -1.59 116.57 118.00 1iti h LYS 46 Ca -0.11 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1iti h LYS 46 Cb 1.34 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.06 1iti h LYS 46 CO 0.02 -0.19 0.39 0.93 -1.08 0.00 0.00 179.45 179.52 1iti h GLU 47 N -0.33 0.00 0.15 3.15 3.07 -1.94 -1.08 114.58 117.60 1iti h GLU 47 Ca -0.03 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1iti h GLU 47 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1iti h GLU 47 CO 0.05 0.00 -0.07 1.15 -1.40 0.00 0.00 179.01 178.74 1iti h THR 48 N 0.00 0.48 -0.22 1.13 2.02 -1.55 -2.70 112.91 112.08 1iti h THR 48 Ca 0.00 -1.11 0.06 0.00 0.77 0.00 0.00 66.41 66.14 1iti h THR 48 Cb 0.77 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1iti h THR 48 CO 0.00 0.14 0.25 -0.26 0.37 0.00 0.00 175.52 176.02 1iti h PHE 49 N -0.99 0.00 0.16 3.16 0.04 -0.25 -1.75 116.94 117.31 1iti h PHE 49 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1iti h PHE 49 Cb 0.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.54 1iti h PHE 49 CO 0.06 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.69 1iti h ARG 51 N -0.46 0.46 0.46 0.00 3.08 -1.21 0.11 114.38 116.82 1iti h ARG 51 Ca -0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1iti h ARG 51 Cb 0.17 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1iti h ARG 51 CO 0.04 0.30 -0.29 0.00 -1.07 0.00 0.00 179.97 178.95 1iti h ALA 52 N 1.76 -0.73 -0.67 0.04 0.00 -1.37 -2.01 119.26 116.28 1iti h ALA 52 Ca 0.67 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.45 1iti h ALA 52 Cb 1.43 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1iti h ALA 52 CO -0.50 -0.92 0.44 0.00 0.00 0.00 0.00 179.25 178.27 1iti h ALA 53 N -0.24 0.85 -0.76 0.00 0.00 -0.54 -2.13 119.26 116.43 1iti h ALA 53 Ca -0.05 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 54.98 1iti h ALA 53 Cb 0.60 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 1iti h ALA 53 CO 0.05 0.26 0.21 1.15 0.00 0.00 0.00 179.25 180.92 1iti h THR 54 N 0.90 0.52 0.78 0.00 2.02 -0.55 0.16 112.91 116.73 1iti h THR 54 Ca 0.25 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1iti h THR 54 Cb -0.10 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1iti h THR 54 CO -0.06 0.05 -0.37 0.58 0.37 0.00 0.00 175.52 176.09 1iti h VAL 55 N 0.29 0.00 -1.20 3.16 2.07 -0.73 -2.60 116.25 117.24 1iti h VAL 55 Ca 0.43 -0.20 0.34 0.00 0.82 0.00 0.00 66.70 68.09 1iti h VAL 55 Cb 0.74 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1iti h VAL 55 CO -0.51 0.00 0.83 -0.07 0.02 0.00 0.00 177.57 177.84 1iti h LEU 56 N -1.25 0.16 0.37 2.57 3.38 -0.94 -0.59 115.31 119.02 1iti h LEU 56 Ca -0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1iti h LEU 56 Cb 0.80 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1iti h LEU 56 CO 0.18 0.01 -0.18 0.03 0.09 0.00 0.00 178.44 178.56 1iti h ARG 57 N 0.13 -0.49 0.00 1.13 3.08 -0.34 -2.08 114.38 115.82 1iti h ARG 57 Ca 0.62 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1iti h ARG 57 Cb 2.16 0.11 0.00 0.00 0.08 0.00 0.00 29.97 32.32 1iti h ARG 57 CO -0.14 -0.32 0.00 0.00 -1.07 0.00 0.00 179.97 178.44 1iti n GLN 58 N -3.49 0.04 0.00 0.04 10.64 -0.60 -1.53 117.38 122.48 1iti n GLN 58 Ca -0.06 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1iti n GLN 58 Cb 0.20 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.08 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 1.06 2.61 7.35 -0.33 -3.54 117.46 123.40 1iti n PHE 59 Ca 0.01 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.79 1iti n PHE 59 Cb 0.01 -0.22 0.52 0.00 0.35 0.00 0.00 39.48 40.15 1iti n PHE 59 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 1iti n TYR 60 N -1.58 0.00 -0.03 -5.13 0.18 -0.93 -1.72 117.16 107.96 1iti n TYR 60 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 1iti n TYR 60 Cb 0.00 -0.12 -0.13 0.00 -0.38 0.00 0.00 39.34 38.71 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 0.24 0.00 9.48 0.02 -1.45 -3.25 113.55 118.58 1iti h SER 61 Ca 0.00 -0.80 -0.17 0.00 -0.84 0.00 0.00 61.79 59.98 1iti h SER 61 Cb 0.07 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1iti h SER 61 CO 0.00 1.49 -1.06 1.41 -1.14 0.00 0.00 176.83 177.53 1iti n HIS 62 N -4.14 0.98 -0.20 3.45 8.25 -1.17 -4.21 115.22 118.17 1iti n HIS 62 Ca -0.24 0.43 0.01 0.00 -0.26 0.00 0.00 57.72 57.66 1iti n HIS 62 Cb 0.79 -1.01 0.12 0.00 1.12 0.00 0.00 29.99 31.01 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 0.16 -0.73 4.41 3.86 -1.55 0.44 115.15 120.74 1iti h HIS 63 Ca -0.25 0.04 0.21 0.00 -1.16 0.00 0.00 60.37 59.21 1iti h HIS 63 Cb 1.08 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1iti h HIS 63 CO 0.00 -0.06 0.76 1.49 0.86 0.00 0.00 177.93 180.98 1iti h GLU 64 N 0.23 0.00 0.00 2.45 4.22 -1.70 1.13 114.58 120.90 1iti h GLU 64 Ca 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.70 1iti h GLU 64 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1iti h GLU 64 CO -0.44 0.00 -1.36 1.63 -2.18 0.00 0.00 179.01 176.66 1iti n LYS 65 N -3.62 0.62 -2.42 1.92 5.02 0.15 -4.89 118.16 114.93 1iti n LYS 65 Ca 0.15 0.09 -0.38 0.00 -2.02 0.00 0.00 58.31 56.15 1iti n LYS 65 Cb 1.01 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 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 -5.33 6.76 -0.38 4.39 -1.08 0.39 -4.92 116.67 116.50 1iti s ASP 66 Ca -0.03 2.22 -0.00 0.00 -0.52 0.00 0.00 52.55 54.22 1iti s ASP 66 Cb 0.10 -2.61 0.33 0.00 -1.46 0.00 0.00 42.92 39.29 1iti s ASP 66 CO 0.82 -0.50 1.88 0.35 0.52 0.00 0.00 175.17 178.24 1iti n THR 67 N 0.25 2.84 -0.09 1.71 -2.24 -1.26 -4.37 114.28 111.12 1iti n THR 67 Ca 0.03 -1.78 -0.11 0.00 -2.27 0.00 0.00 64.05 59.92 1iti n THR 67 Cb 0.47 -1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.21 0.51 0.00 -0.78 5.12 -1.26 -3.83 116.66 116.21 1iti n ARG 68 Ca 0.40 0.41 0.09 0.00 -1.93 0.00 0.00 57.85 56.81 1iti n ARG 68 Cb 0.81 -1.60 0.53 0.00 -1.16 0.00 0.00 32.46 31.05 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 -0.83 1.86 0.00 0.00 4.77 -1.26 -4.78 117.00 116.76 1iti n LEU 70 Ca 0.13 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1iti n LEU 70 Cb 0.06 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1iti n LEU 70 CO 0.10 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1iti n GLY 71 N 1.51 0.16 0.00 -0.72 0.00 -1.24 -4.07 105.19 100.83 1iti n GLY 71 Ca -0.19 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 6.27 0.21 -1.96 4.61 0.00 -1.26 -5.02 120.51 123.35 1iti n ALA 72 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 1iti n ALA 72 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 4.56 -0.47 0.00 2.01 -1.26 -4.96 115.64 115.51 1iti s THR 73 Ca 0.00 1.16 0.23 0.00 0.31 0.00 0.00 61.69 63.39 1iti s THR 73 Cb 0.00 -3.65 0.33 0.00 0.01 0.00 0.00 72.50 69.20 1iti s THR 73 CO 0.00 -0.39 1.63 0.00 -0.69 0.00 0.00 174.62 175.17 1iti h ALA 74 N 1.70 1.00 0.17 7.40 0.00 -1.98 -2.53 119.26 125.03 1iti h ALA 74 Ca -0.48 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1iti h ALA 74 Cb 1.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1iti h ALA 74 CO 0.63 0.00 -1.06 -0.56 0.00 0.00 0.00 179.25 178.26 1iti h GLN 75 N 0.00 0.36 0.00 0.00 3.07 -1.97 -3.22 115.11 113.35 1iti h GLN 75 Ca 0.00 -0.62 -0.12 0.00 0.09 0.00 0.00 58.65 58.00 1iti h GLN 75 Cb 0.97 0.23 -0.02 0.00 0.08 0.00 0.00 27.48 28.74 1iti h GLN 75 CO 0.00 1.30 -0.56 0.37 0.09 0.00 0.00 178.83 180.03 1iti h GLN 76 N -0.22 0.00 0.30 0.06 5.75 -1.87 -2.31 115.11 116.82 1iti h GLN 76 Ca -0.19 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 1iti h GLN 76 Cb 1.80 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.36 1iti h GLN 76 CO 0.18 0.56 -0.15 0.35 -2.65 0.00 0.00 178.83 177.12 1iti h PHE 77 N 0.00 -0.38 0.03 3.99 3.57 -1.53 -1.21 116.94 121.42 1iti h PHE 77 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1iti h PHE 77 Cb 1.15 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1iti h PHE 77 CO 0.00 -0.21 -0.01 1.25 -2.23 0.00 0.00 178.31 177.10 1iti h HIS 78 N -0.44 -0.04 -0.56 0.41 2.76 -1.58 -2.62 115.15 113.08 1iti h HIS 78 Ca -0.04 -0.00 0.16 0.00 -2.20 0.00 0.00 60.37 58.29 1iti h HIS 78 Cb 0.34 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 1iti h HIS 78 CO -0.05 0.38 0.63 -0.09 -1.30 0.00 0.00 177.93 177.51 1iti h ARG 79 N -0.47 0.00 0.00 5.26 2.43 -1.39 0.02 114.38 120.23 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 0.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1iti h ARG 79 CO 0.01 0.00 -0.00 1.25 -1.51 0.00 0.00 179.97 179.71 1iti h HIS 80 N 0.00 -0.01 -0.47 2.20 2.76 -0.87 -3.15 115.15 115.62 1iti h HIS 80 Ca 0.27 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.53 1iti h HIS 80 Cb 1.53 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 30.41 1iti h HIS 80 CO 0.00 0.86 -0.09 0.87 -1.30 0.00 0.00 177.93 178.26 1iti h LYS 81 N -0.95 0.02 -0.60 5.26 1.79 -0.68 0.05 116.57 121.46 1iti h LYS 81 Ca -0.00 -0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.58 1iti h LYS 81 Cb 0.87 -0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.42 1iti h LYS 81 CO 0.00 0.01 0.10 0.37 -1.08 0.00 0.00 179.45 178.86 1iti h GLN 82 N 0.02 0.22 -0.07 3.15 5.75 -1.50 -1.34 115.11 121.34 1iti h GLN 82 Ca 0.23 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.76 1iti h GLN 82 Cb 0.35 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.80 1iti h GLN 82 CO -0.47 0.15 -0.34 1.25 -2.65 0.00 0.00 178.83 176.76 1iti h LEU 83 N 0.23 -1.04 -0.70 -2.39 6.46 -0.95 -0.51 115.31 116.40 1iti h LEU 83 Ca 0.31 0.14 0.14 0.00 -0.12 0.00 0.00 57.88 58.36 1iti h LEU 83 Cb 0.48 0.43 -0.10 0.00 -0.73 0.00 0.00 40.66 40.74 1iti h LEU 83 CO -0.43 -0.39 0.18 0.40 -0.62 0.00 0.00 178.44 177.59 1iti h ILE 84 N -0.45 0.57 -0.35 4.05 1.08 -0.79 -0.27 117.51 121.35 1iti h ILE 84 Ca 0.08 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1iti h ILE 84 Cb 0.57 0.25 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1iti h ILE 84 CO -0.32 0.05 0.15 0.03 -0.69 0.00 0.00 178.15 177.37 1iti h ARG 85 N 0.29 0.30 -0.37 2.37 2.47 -0.32 0.78 114.38 119.90 1iti h ARG 85 Ca 0.38 -0.02 0.07 0.00 -1.26 0.00 0.00 59.98 59.16 1iti h ARG 85 Cb 0.62 -0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.80 1iti h ARG 85 CO -0.46 0.20 -0.09 0.74 0.56 0.00 0.00 179.97 180.91 1iti h PHE 86 N 0.31 -0.20 0.60 3.04 0.04 0.42 -1.03 116.94 120.12 1iti h PHE 86 Ca 0.15 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 1iti h PHE 86 Cb 0.09 0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.40 1iti h PHE 86 CO -0.12 -0.16 -0.29 -0.07 -0.60 0.00 0.00 178.31 177.07 1iti h LEU 87 N -0.00 -0.68 -0.89 1.54 3.38 -0.87 -1.78 115.31 116.00 1iti h LEU 87 Ca 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1iti h LEU 87 Cb 0.27 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1iti h LEU 87 CO -0.39 -0.37 0.57 0.11 0.09 0.00 0.00 178.44 178.45 1iti h LYS 88 N -0.99 0.00 0.00 1.13 1.57 -0.52 0.33 116.57 118.09 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 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 -2.41 0.00 0.20 3.15 0.63 -0.42 -3.87 116.66 113.94 1iti n ARG 89 Ca -0.01 0.29 0.11 0.00 -0.92 0.00 0.00 57.85 57.32 1iti n ARG 89 Cb 0.59 -0.77 0.58 0.00 0.45 0.00 0.00 32.46 33.31 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 0.16 6.15 8.10 -0.95 -1.79 115.31 126.98 1iti h LEU 90 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1iti h LEU 90 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1iti h LEU 90 CO 0.00 0.00 -0.07 -0.78 -4.11 0.00 0.00 178.44 173.48 1iti h ASP 91 N 0.00 -0.18 0.53 0.17 3.58 -0.49 -1.75 116.42 118.28 1iti h ASP 91 Ca 0.00 -0.16 -0.14 0.00 0.42 0.00 0.00 57.03 57.14 1iti h ASP 91 Cb 0.28 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1iti h ASP 91 CO 0.00 0.06 -0.65 0.03 -2.88 0.00 0.00 179.24 175.81 1iti h ARG 92 N -0.42 0.11 0.69 0.28 -0.00 -1.44 -2.95 114.38 110.64 1iti h ARG 92 Ca -0.02 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.98 59.35 1iti h ARG 92 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.32 1iti h ARG 92 CO 0.04 0.72 -0.35 -0.91 0.00 0.00 0.00 179.97 179.46 1iti h ASN 93 N 0.08 -0.85 0.36 7.04 -0.26 -1.34 0.25 115.58 120.85 1iti h ASN 93 Ca -0.01 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1iti h ASN 93 Cb 1.16 0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 38.63 1iti h ASN 93 CO 0.09 -0.59 -0.33 -0.07 -1.06 0.00 0.00 177.43 175.47 1iti h LEU 94 N -0.96 -0.91 0.00 1.61 3.38 -1.36 0.14 115.31 117.21 1iti h LEU 94 Ca -0.09 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iti h LEU 94 Cb 0.74 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1iti h LEU 94 CO 0.14 -0.45 0.10 1.87 0.09 0.00 0.00 178.44 180.18 1iti n TRP 95 N -4.42 0.00 0.00 1.13 -0.00 -1.12 -2.42 117.44 110.62 1iti n TRP 95 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 1iti n TRP 95 Cb 0.31 -0.40 0.00 0.00 -0.00 0.00 0.00 31.31 31.22 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 -1.40 -0.64 0.00 5.87 0.00 0.87 -3.13 105.19 106.77 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 -1.83 0.00 0.00 0.99 -0.00 -0.99 -3.01 117.00 112.16 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 -1.08 0.00 -1.58 1.47 0.00 -1.01 -4.98 120.51 113.33 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 2.00 0.39 3.61 0.00 0.00 -1.16 -5.00 105.19 105.03 1iti n GLY 99 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 4.05 0.00 0.99 1.43 -1.26 -4.95 118.68 118.93 1iti s LEU 100 Ca 0.00 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1iti s LEU 100 Cb 0.00 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1iti s LEU 100 CO 0.00 -0.74 0.13 -3.20 0.23 0.00 0.00 176.35 172.77 1iti n ASN 101 N 6.49 0.00 -4.70 2.29 5.15 -1.26 -4.78 115.26 118.46 1iti n ASN 101 Ca 0.06 0.53 -0.39 0.00 -0.60 0.00 0.00 54.58 54.17 1iti n ASN 101 Cb 0.48 -0.46 -0.05 0.00 -0.53 0.00 0.00 39.78 39.22 1iti n ASN 101 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1iti s SER 102 N -2.71 6.80 -0.44 1.20 0.01 -1.26 -4.96 113.70 112.34 1iti s SER 102 Ca 0.00 0.96 0.04 0.00 1.31 0.00 0.00 55.95 58.26 1iti s SER 102 Cb 0.00 -2.35 0.26 0.00 0.21 0.00 0.00 66.02 64.15 1iti s SER 102 CO 0.00 -0.11 1.03 0.00 0.41 0.00 0.00 173.24 174.57 1iti s PRO 104 N 0.47 3.08 -0.03 0.00 0.05 -1.26 -4.91 135.00 132.39 1iti s PRO 104 Ca 0.28 1.99 -0.13 0.00 0.05 0.00 0.00 61.00 63.20 1iti s PRO 104 Cb 0.24 -2.10 -0.05 0.00 0.05 0.00 0.00 34.50 32.64 1iti s PRO 104 CO -0.18 -1.17 0.35 0.54 0.05 0.00 0.00 177.00 176.60 1iti s VAL 105 N -1.45 5.14 0.00 -0.36 0.11 -1.26 -5.05 120.40 117.52 1iti s VAL 105 Ca 0.74 0.71 0.00 0.00 -2.93 0.00 0.00 61.98 60.50 1iti s VAL 105 Cb -0.35 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 1iti s VAL 105 CO 0.39 0.57 0.00 2.29 -3.33 0.00 0.00 175.10 175.03 1iti n LYS 106 N 1.96 0.00 -4.17 1.54 2.85 -1.26 -5.13 118.16 113.95 1iti n LYS 106 Ca -0.15 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.98 1iti n LYS 106 Cb 0.53 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.83 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1iti s GLU 107 N 1.72 1.49 -0.07 -1.58 0.41 -1.26 -5.18 118.70 114.24 1iti s GLU 107 Ca 0.00 -1.68 -0.31 0.00 -0.41 0.00 0.00 54.97 52.58 1iti s GLU 107 Cb 0.00 0.34 0.12 0.00 -1.78 0.00 0.00 34.13 32.81 1iti s GLU 107 CO 0.00 -0.55 1.36 0.00 -0.49 0.00 0.00 175.26 175.58 1iti s ALA 108 N -3.81 -2.58 0.00 5.21 0.00 -1.26 -4.87 121.76 114.45 1iti s ALA 108 Ca 0.35 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1iti s ALA 108 Cb 0.04 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1iti s ALA 108 CO 0.16 -1.13 0.00 -0.25 0.00 0.00 0.00 175.76 174.55 1iti n ASP 109 N -0.81 0.00 -3.58 0.00 8.00 -1.26 -4.89 116.55 114.00 1iti n ASP 109 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1iti n ASP 109 Cb 0.60 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1iti n ASP 109 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1iti s GLN 110 N 0.00 1.16 0.15 -1.24 -0.21 -1.26 -4.39 119.66 113.87 1iti s GLN 110 Ca 0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 55.36 54.61 1iti s GLN 110 Cb 0.00 0.51 0.01 0.00 1.00 0.00 0.00 33.01 34.52 1iti s GLN 110 CO 0.00 -0.48 0.33 -1.54 -2.12 0.00 0.00 175.29 171.48 1iti s SER 111 N -2.80 -0.04 0.12 5.90 1.04 -0.30 -4.62 113.70 113.01 1iti s SER 111 Ca 0.03 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 1iti s SER 111 Cb 0.01 0.45 -0.06 0.00 0.10 0.00 0.00 66.02 66.51 1iti s SER 111 CO -0.11 -0.89 0.47 0.42 0.98 0.00 0.00 173.24 174.10 1iti s THR 112 N -3.91 5.00 0.50 2.02 -4.23 -1.26 0.71 115.64 114.47 1iti s THR 112 Ca 0.12 0.56 0.21 0.00 -1.18 0.00 0.00 61.69 61.40 1iti s THR 112 Cb 0.03 -3.67 0.37 0.00 1.34 0.00 0.00 72.50 70.56 1iti s THR 112 CO -0.04 0.22 2.00 0.25 -0.54 0.00 0.00 174.62 176.51 1iti h LEU 113 N 3.49 0.11 0.00 4.79 5.85 -1.66 0.32 115.31 128.21 1iti h LEU 113 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1iti h LEU 113 Cb 1.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1iti h LEU 113 CO 0.67 0.06 0.00 1.21 -0.34 0.00 0.00 178.44 180.04 1iti n GLU 114 N -4.42 0.00 -0.34 1.25 2.13 -1.26 -2.05 120.64 115.95 1iti n GLU 114 Ca 0.09 0.29 0.19 0.00 0.66 0.00 0.00 57.16 58.39 1iti n GLU 114 Cb 0.51 -0.98 0.40 0.00 0.27 0.00 0.00 31.44 31.64 1iti n GLU 114 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1iti h ASN 115 N 0.00 0.59 -0.80 4.31 -0.26 -1.95 0.51 115.58 117.97 1iti h ASN 115 Ca 0.00 0.16 0.06 0.00 -0.56 0.00 0.00 56.30 55.95 1iti h ASN 115 Cb 0.00 0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.28 1iti h ASN 115 CO 0.00 0.02 0.48 0.15 -1.06 0.00 0.00 177.43 177.02 1iti h PHE 116 N 0.48 0.90 0.00 1.19 3.04 -0.45 -0.65 116.94 121.45 1iti h PHE 116 Ca 0.66 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 62.51 1iti h PHE 116 Cb 1.34 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 39.54 1iti h PHE 116 CO -0.02 0.46 -0.59 -0.07 -2.02 0.00 0.00 178.31 176.06 1iti h LEU 117 N 0.89 0.00 0.44 0.59 3.38 0.54 -2.47 115.31 118.68 1iti h LEU 117 Ca 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1iti h LEU 117 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1iti h LEU 117 CO -0.17 0.59 -0.21 -0.08 0.09 0.00 0.00 178.44 178.66 1iti h GLU 118 N 0.00 -0.57 -0.88 1.13 4.57 0.37 0.18 114.58 119.38 1iti h GLU 118 Ca -0.01 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.35 1iti h GLU 118 Cb 1.09 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.72 1iti h GLU 118 CO 0.08 -0.38 0.49 0.07 -1.18 0.00 0.00 179.01 178.09 1iti h ARG 119 N -0.75 0.70 0.90 1.92 0.11 -1.39 -0.52 114.38 115.36 1iti h ARG 119 Ca -0.06 -0.04 -0.04 0.00 0.10 0.00 0.00 59.98 59.93 1iti h ARG 119 Cb 0.45 -0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.38 1iti h ARG 119 CO 0.10 0.47 -0.43 1.25 0.10 0.00 0.00 179.97 181.45 1iti h LEU 120 N 0.72 -1.03 -0.87 0.08 6.46 -1.40 0.86 115.31 120.14 1iti h LEU 120 Ca 0.47 0.03 0.22 0.00 -0.12 0.00 0.00 57.88 58.47 1iti h LEU 120 Cb 0.60 0.27 -0.13 0.00 -0.73 0.00 0.00 40.66 40.67 1iti h LEU 120 CO -0.33 -0.69 0.34 0.50 -0.62 0.00 0.00 178.44 177.64 1iti h LYS 121 N -1.29 0.34 0.22 1.25 3.64 -0.08 0.62 116.57 121.28 1iti h LYS 121 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1iti h LYS 121 Cb 0.93 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1iti h LYS 121 CO 0.20 0.23 -0.11 1.15 -2.27 0.00 0.00 179.45 178.66 1iti h THR 122 N 0.36 0.84 -0.48 1.00 2.02 -0.81 -2.74 112.91 113.10 1iti h THR 122 Ca 0.54 -0.37 0.09 0.00 0.77 0.00 0.00 66.41 67.44 1iti h THR 122 Cb 1.03 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 1iti h THR 122 CO -0.55 0.08 -0.02 0.40 0.37 0.00 0.00 175.52 175.81 1iti h ILE 123 N -0.48 0.61 -0.23 3.11 2.04 0.94 -1.56 117.51 121.95 1iti h ILE 123 Ca -0.03 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1iti h ILE 123 Cb 0.36 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1iti h ILE 123 CO 0.05 0.02 -0.52 0.24 0.00 0.00 0.00 178.15 177.94 1iti h MET 124 N 0.10 -0.49 -0.03 2.37 2.86 -0.81 0.91 114.93 119.84 1iti h MET 124 Ca 0.24 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1iti h MET 124 Cb 0.36 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 1iti h MET 124 CO -0.41 -0.32 0.21 0.00 1.06 0.00 0.00 176.91 177.45 1iti h ARG 125 N -0.50 0.00 0.25 1.72 3.08 -1.08 0.74 114.38 118.58 1iti h ARG 125 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1iti h ARG 125 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1iti h ARG 125 CO -0.48 0.00 -0.12 1.49 -1.07 0.00 0.00 179.97 179.79 1iti h GLU 126 N 0.00 -0.32 0.00 0.04 4.57 0.18 -3.17 114.58 115.88 1iti h GLU 126 Ca 0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1iti h GLU 126 Cb 0.43 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1iti h GLU 126 CO -0.00 -0.02 0.00 1.63 -1.18 0.00 0.00 179.01 179.44 1iti n LYS 127 N -5.00 1.00 0.00 1.92 5.02 -0.59 -3.36 118.16 117.15 1iti n LYS 127 Ca -0.07 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1iti n LYS 127 Cb 0.22 -1.26 0.27 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.76 0.00 0.24 2.13 9.36 0.19 -4.07 117.16 124.25 1iti n TYR 128 Ca 0.13 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.25 1iti n TYR 128 Cb 0.06 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.72 1iti n TYR 128 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1iti h SER 129 N 0.00 -0.52 0.00 2.98 4.64 -1.73 -3.39 113.55 115.53 1iti h SER 129 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1iti h SER 129 Cb 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1iti h SER 129 CO 0.00 -0.36 0.00 2.29 -0.87 0.00 0.00 176.83 177.89 1iti n LYS 130 N -3.68 0.00 0.13 4.77 2.85 -1.26 0.23 118.16 121.20 1iti n LYS 130 Ca -0.08 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.25 1iti n LYS 130 Cb 0.24 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.65 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 -5.91 6.71 0.00 0.00 0.01 0.63 -5.09 113.70 110.05 1iti s SER 132 Ca 0.02 -2.22 0.24 0.00 1.31 0.00 0.00 55.95 55.30 1iti s SER 132 Cb 0.08 -2.40 1.44 0.00 0.21 0.00 0.00 66.02 65.35 1iti s SER 132 CO 0.75 -1.01 1.81 -0.24 0.41 0.00 0.00 173.24 174.96