#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 -3.04 0.62 0.00 -1.26 -5.06 120.51 111.77 1iti n ALA 2 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1iti n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1iti n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1iti n GLU 3 N 0.00 0.68 -1.31 0.00 1.02 -1.26 -4.99 120.64 114.77 1iti n GLU 3 Ca 0.00 -2.68 -0.23 0.00 -0.02 0.00 0.00 57.16 54.24 1iti n GLU 3 Cb 0.00 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 1iti n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iti n ALA 4 N 1.68 6.55 -1.00 0.62 0.00 -1.26 -4.95 120.51 122.16 1iti n ALA 4 Ca 0.18 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.94 1iti n ALA 4 Cb 0.56 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1iti n ALA 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1iti n HIS 5 N 1.86 -1.55 -1.88 0.00 8.25 -1.26 -4.99 115.22 115.66 1iti n HIS 5 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1iti n HIS 5 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1iti n HIS 5 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1iti n LYS 6 N -1.54 0.00 -1.57 -0.41 4.76 -1.26 -5.11 118.16 113.03 1iti n LYS 6 Ca 0.00 -0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.96 1iti n LYS 6 Cb 0.00 -0.06 -0.03 0.00 -1.84 0.00 0.00 35.03 33.10 1iti n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iti s ASP 8 N -0.26 6.25 0.63 0.00 2.15 -1.26 -4.86 116.67 119.33 1iti s ASP 8 Ca 0.67 -0.56 0.39 0.00 0.43 0.00 0.00 52.55 53.48 1iti s ASP 8 Cb -0.80 -2.47 2.17 0.00 -0.30 0.00 0.00 42.92 41.52 1iti s ASP 8 CO 0.55 -1.46 2.31 -0.29 -0.17 0.00 0.00 175.17 176.11 1iti h ILE 9 N 6.02 0.20 0.49 4.11 2.10 -2.01 -2.67 117.51 125.75 1iti h ILE 9 Ca -0.27 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 65.61 1iti h ILE 9 Cb 1.07 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 1iti h ILE 9 CO 1.17 0.00 -0.31 0.74 -1.08 0.00 0.00 178.15 178.68 1iti h THR 10 N 0.00 0.37 0.00 2.19 2.02 -2.01 0.72 112.91 116.21 1iti h THR 10 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1iti h THR 10 Cb 0.03 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1iti h THR 10 CO 0.00 0.00 0.09 0.18 0.37 0.00 0.00 175.52 176.17 1iti n LEU 11 N -5.44 0.17 -0.02 2.58 4.77 -1.01 -2.14 117.00 115.91 1iti n LEU 11 Ca -0.11 0.51 -0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1iti n LEU 11 Cb 0.34 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1iti n LEU 11 CO 0.34 -0.57 -0.04 -0.61 -1.33 0.00 0.00 177.39 175.18 1iti h GLN 12 N 0.00 0.00 -0.09 3.23 4.15 -0.93 -2.56 115.11 118.90 1iti h GLN 12 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1iti h GLN 12 Cb 0.19 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.88 1iti h GLN 12 CO 0.00 0.00 0.41 1.05 -1.93 0.00 0.00 178.83 178.36 1iti h GLU 13 N -0.39 0.00 0.10 1.69 -0.00 -1.13 0.66 114.58 115.52 1iti h GLU 13 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.20 1iti h GLU 13 Cb 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 28.82 1iti h GLU 13 CO 0.00 0.00 -0.75 0.82 -0.00 0.00 0.00 179.01 179.08 1iti h ILE 14 N 0.00 1.48 0.21 -1.06 2.04 -1.53 -2.34 117.51 116.30 1iti h ILE 14 Ca 0.04 -2.47 -0.01 0.00 1.00 0.00 0.00 64.86 63.43 1iti h ILE 14 Cb 0.87 3.14 0.00 0.00 -0.74 0.00 0.00 36.82 40.09 1iti h ILE 14 CO -0.00 0.68 -0.10 0.40 0.00 0.00 0.00 178.15 179.13 1iti h ILE 15 N -0.52 0.88 -0.38 -0.67 2.04 -0.49 -0.14 117.51 118.23 1iti h ILE 15 Ca -0.14 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1iti h ILE 15 Cb 1.51 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1iti h ILE 15 CO 0.09 0.12 0.23 0.07 0.00 0.00 0.00 178.15 178.67 1iti h LYS 16 N -0.56 0.51 -0.80 2.37 5.09 -1.37 -2.34 116.57 119.47 1iti h LYS 16 Ca -0.03 -0.04 0.02 0.00 0.09 0.00 0.00 60.65 60.68 1iti h LYS 16 Cb 0.41 -0.11 -0.04 0.00 0.10 0.00 0.00 32.23 32.59 1iti h LYS 16 CO 0.05 0.38 0.52 1.15 -2.09 0.00 0.00 179.45 179.46 1iti h THR 17 N 0.50 1.18 -0.92 0.07 2.02 -1.39 -1.67 112.91 112.70 1iti h THR 17 Ca 0.14 -0.36 0.10 0.00 0.77 0.00 0.00 66.41 67.06 1iti h THR 17 Cb -0.01 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 66.35 1iti h THR 17 CO -0.03 0.19 0.56 -0.07 0.37 0.00 0.00 175.52 176.54 1iti h LEU 18 N 1.06 0.81 -0.46 2.58 3.38 -0.50 -1.04 115.31 121.14 1iti h LEU 18 Ca 0.30 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1iti h LEU 18 Cb -0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1iti h LEU 18 CO -0.08 0.45 0.27 0.78 0.09 0.00 0.00 178.44 179.95 1iti h ASN 19 N 0.91 0.56 -0.94 -0.43 4.21 -0.87 -2.08 115.58 116.93 1iti h ASN 19 Ca 0.45 -0.07 0.10 0.00 1.21 0.00 0.00 56.30 57.98 1iti h ASN 19 Cb 0.41 -0.14 -0.07 0.00 -1.12 0.00 0.00 38.32 37.40 1iti h ASN 19 CO -0.25 0.46 0.61 0.28 -1.29 0.00 0.00 177.43 177.24 1iti h SER 20 N 0.61 0.89 -0.28 5.81 0.02 -0.87 -1.54 113.55 118.18 1iti h SER 20 Ca 0.16 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1iti h SER 20 Cb 0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1iti h SER 20 CO -0.03 0.52 0.17 -0.07 -1.14 0.00 0.00 176.83 176.28 1iti h LEU 21 N 0.98 0.34 -0.68 5.07 3.38 -0.80 -2.53 115.31 121.07 1iti h LEU 21 Ca 0.44 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.47 1iti h LEU 21 Cb 0.37 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1iti h LEU 21 CO -0.20 0.29 0.27 0.71 0.09 0.00 0.00 178.44 179.61 1iti h THR 22 N 0.36 0.74 -1.11 0.22 1.35 -0.94 0.15 112.91 113.68 1iti h THR 22 Ca 0.10 -0.15 0.30 0.00 -0.55 0.00 0.00 66.41 66.11 1iti h THR 22 Cb 0.02 0.25 -0.09 0.00 -1.73 0.00 0.00 68.15 66.59 1iti h THR 22 CO -0.02 0.08 0.72 -0.33 -0.25 0.00 0.00 175.52 175.73 1iti h GLU 23 N 0.45 0.28 -6.05 4.72 4.39 -1.10 -3.38 114.58 113.90 1iti h GLU 23 Ca 0.35 -0.02 -0.60 0.00 0.34 0.00 0.00 59.36 59.43 1iti h GLU 23 Cb 0.47 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1iti h GLU 23 CO -0.34 0.19 -0.20 -0.65 -1.16 0.00 0.00 179.01 176.85 1iti s GLN 24 N -5.39 3.90 -0.37 2.33 -1.52 0.52 -5.05 119.66 114.07 1iti s GLN 24 Ca -0.08 0.38 0.03 0.00 -1.95 0.00 0.00 55.36 53.74 1iti s GLN 24 Cb 0.26 -3.16 0.16 0.00 -0.22 0.00 0.00 33.01 30.04 1iti s GLN 24 CO 0.80 0.65 0.38 0.15 -0.25 0.00 0.00 175.29 177.03 1iti s LYS 25 N -1.29 0.64 0.17 2.91 1.02 -1.26 -4.93 119.74 117.00 1iti s LYS 25 Ca 0.26 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1iti s LYS 25 Cb -0.16 -0.71 0.03 0.00 -0.52 0.00 0.00 37.83 36.47 1iti s LYS 25 CO 0.15 -1.19 0.23 0.25 -0.92 0.00 0.00 175.35 173.87 1iti n THR 26 N 4.25 0.00 0.79 2.17 -2.24 -1.26 -4.97 114.28 113.02 1iti n THR 26 Ca 0.11 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1iti n THR 26 Cb 0.45 -1.20 0.50 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.43 0.00 3.22 -0.00 -1.26 -3.34 117.00 116.06 1iti n LEU 27 Ca 0.04 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1iti n LEU 27 Cb 0.14 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 1iti n LEU 27 CO 0.10 -0.10 0.35 0.00 -0.00 0.00 0.00 177.39 177.73 1iti h THR 29 N 0.00 1.29 -1.08 0.00 1.35 -1.96 -3.25 112.91 109.26 1iti h THR 29 Ca 0.00 -2.88 0.31 0.00 -0.55 0.00 0.00 66.41 63.29 1iti h THR 29 Cb 0.02 2.86 -0.04 0.00 -1.73 0.00 0.00 68.15 69.26 1iti h THR 29 CO 0.00 0.85 0.79 -0.33 -0.25 0.00 0.00 175.52 176.58 1iti h GLU 30 N 0.08 0.00 -6.55 4.72 5.08 -1.35 -3.38 114.58 113.18 1iti h GLU 30 Ca -0.21 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.63 1iti h GLU 30 Cb 2.02 0.00 0.04 0.00 0.50 0.00 0.00 28.75 31.31 1iti h GLU 30 CO 0.19 0.00 0.97 -0.51 -1.00 0.00 0.00 179.01 178.66 1iti s LEU 31 N -8.34 4.37 0.05 1.33 1.43 -1.23 -4.95 118.68 111.34 1iti s LEU 31 Ca -0.05 2.62 -0.28 0.00 -1.03 0.00 0.00 54.13 55.39 1iti s LEU 31 Cb 0.22 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1iti s LEU 31 CO 0.78 -0.89 0.88 0.42 0.23 0.00 0.00 176.35 177.78 1iti s THR 32 N 1.87 4.70 0.64 5.49 -4.23 -1.26 -3.92 115.64 118.93 1iti s THR 32 Ca 0.73 1.88 0.03 0.00 -1.18 0.00 0.00 61.69 63.16 1iti s THR 32 Cb -0.43 -4.23 0.10 0.00 1.34 0.00 0.00 72.50 69.27 1iti s THR 32 CO 0.32 0.29 0.88 0.68 -0.54 0.00 0.00 174.62 176.26 1iti s VAL 33 N 0.27 2.24 -0.51 2.29 -7.23 -0.53 -4.85 120.40 112.08 1iti s VAL 33 Ca 0.45 -0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 59.66 1iti s VAL 33 Cb -0.21 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.29 1iti s VAL 33 CO 0.26 0.00 0.68 -0.89 -0.31 0.00 0.00 175.10 174.84 1iti s THR 34 N -2.91 4.79 1.09 5.32 2.01 -1.26 -1.36 115.64 123.31 1iti s THR 34 Ca 0.63 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 62.11 1iti s THR 34 Cb -0.06 -4.34 0.04 0.00 0.01 0.00 0.00 72.50 68.16 1iti s THR 34 CO 0.41 -0.85 -0.25 -0.67 -0.69 0.00 0.00 174.62 172.58 1iti n ASP 35 N 6.40 -2.54 0.00 3.53 -0.08 -1.26 -4.87 116.55 117.72 1iti n ASP 35 Ca -0.05 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1iti n ASP 35 Cb 0.46 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.02 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 -4.17 0.00 0.15 5.18 -5.35 -1.26 -4.66 119.36 109.24 1iti n ILE 36 Ca 0.01 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.50 1iti n ILE 36 Cb 0.64 0.00 0.17 0.00 -1.74 0.00 0.00 39.64 38.71 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 -2.92 116.94 116.36 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 0.54 0.04 0.00 -0.60 0.00 0.00 178.31 178.29 1iti n ALA 38 N -2.31 0.93 -3.37 2.45 0.00 -1.26 -3.70 120.51 113.25 1iti n ALA 38 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 53.44 53.29 1iti n ALA 38 Cb 0.64 -0.97 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.02 -0.33 -0.10 0.00 0.00 -1.10 -4.96 121.76 112.25 1iti s ALA 39 Ca -0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 1iti s ALA 39 Cb 0.01 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 21.15 1iti s ALA 39 CO 0.03 -2.15 0.22 -1.12 0.00 0.00 0.00 175.76 172.74 1iti s SER 40 N 1.38 0.17 0.00 0.00 0.01 -1.24 -4.95 113.70 109.07 1iti s SER 40 Ca 0.17 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1iti s SER 40 Cb -0.16 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1iti s SER 40 CO -0.02 -0.20 0.00 0.29 0.41 0.00 0.00 173.24 173.71 1iti n LYS 41 N 4.81 0.00 0.00 12.44 5.02 -1.26 -4.85 118.16 134.32 1iti n LYS 41 Ca -0.15 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.26 1iti n LYS 41 Cb 0.51 0.00 0.69 0.00 -0.02 0.00 0.00 35.03 36.21 1iti n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iti n ASP 42 N -1.32 0.00 -4.67 4.39 9.92 -1.26 -4.69 116.55 118.92 1iti n ASP 42 Ca 0.00 -0.52 -0.39 0.00 -0.53 0.00 0.00 54.79 53.34 1iti n ASP 42 Cb 0.00 -0.10 -0.06 0.00 -0.64 0.00 0.00 41.12 40.32 1iti n ASP 42 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1iti s THR 43 N -2.20 5.08 0.71 -3.53 -4.23 -1.26 -5.06 115.64 105.14 1iti s THR 43 Ca 0.32 1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 61.86 1iti s THR 43 Cb 0.17 -3.88 0.11 0.00 1.34 0.00 0.00 72.50 70.24 1iti s THR 43 CO 0.32 0.17 0.98 0.42 -0.54 0.00 0.00 174.62 175.96 1iti s THR 44 N 1.61 2.22 0.28 3.99 -4.23 -1.26 -4.78 115.64 113.47 1iti s THR 44 Ca 0.26 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1iti s THR 44 Cb -0.16 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.30 1iti s THR 44 CO 0.10 0.00 1.67 -0.33 -0.54 0.00 0.00 174.62 175.53 1iti h GLU 45 N -0.50 0.29 0.08 3.99 5.08 -1.98 0.16 114.58 121.71 1iti h GLU 45 Ca -0.38 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1iti h GLU 45 Cb 1.27 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1iti h GLU 45 CO 0.43 0.19 -0.31 0.87 -1.00 0.00 0.00 179.01 179.20 1iti h LYS 46 N 0.29 -0.43 -0.08 2.33 1.79 -1.98 0.11 116.57 118.61 1iti h LYS 46 Ca 0.52 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 59.05 1iti h LYS 46 Cb 1.00 0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1iti h LYS 46 CO -0.57 -0.29 0.09 0.93 -1.08 0.00 0.00 179.45 178.53 1iti h GLU 47 N -0.45 0.00 0.23 3.15 5.08 -1.66 -2.23 114.58 118.71 1iti h GLU 47 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1iti h GLU 47 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1iti h GLU 47 CO -0.16 0.00 -0.11 1.15 -1.00 0.00 0.00 179.01 178.89 1iti h THR 48 N 0.00 0.83 -0.11 1.13 2.02 0.15 -1.61 112.91 115.33 1iti h THR 48 Ca 0.04 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1iti h THR 48 Cb 0.22 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1iti h THR 48 CO -0.00 0.12 0.07 -0.26 0.37 0.00 0.00 175.52 175.83 1iti h PHE 49 N -0.62 0.06 0.57 3.16 0.04 -0.30 -2.09 116.94 117.77 1iti h PHE 49 Ca -0.03 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1iti h PHE 49 Cb 0.44 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1iti h PHE 49 CO 0.02 0.04 -0.27 0.00 -0.60 0.00 0.00 178.31 177.49 1iti h ARG 51 N -1.15 0.27 -0.53 0.00 3.08 -1.05 0.85 114.38 115.85 1iti h ARG 51 Ca -0.08 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1iti h ARG 51 Cb 0.62 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 1iti h ARG 51 CO 0.13 0.18 0.07 0.00 -1.07 0.00 0.00 179.97 179.28 1iti h ALA 52 N 1.60 0.58 -0.57 0.04 0.00 -1.36 -0.58 119.26 118.96 1iti h ALA 52 Ca 0.41 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.48 1iti h ALA 52 Cb 0.69 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1iti h ALA 52 CO -0.49 -0.34 0.34 0.00 0.00 0.00 0.00 179.25 178.76 1iti h ALA 53 N 1.44 0.73 -0.78 0.00 0.00 -0.48 -1.79 119.26 118.39 1iti h ALA 53 Ca 0.27 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1iti h ALA 53 Cb 0.40 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.92 1iti h ALA 53 CO -0.39 0.05 0.22 1.15 0.00 0.00 0.00 179.25 180.29 1iti h THR 54 N 0.66 0.50 0.71 0.00 2.02 -0.36 0.19 112.91 116.63 1iti h THR 54 Ca 0.23 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.28 1iti h THR 54 Cb 0.05 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1iti h THR 54 CO -0.11 0.05 -0.34 0.58 0.37 0.00 0.00 175.52 176.07 1iti h VAL 55 N 0.30 0.00 -1.23 3.16 2.07 -0.96 -2.62 116.25 116.97 1iti h VAL 55 Ca 0.45 -0.22 0.35 0.00 0.82 0.00 0.00 66.70 68.11 1iti h VAL 55 Cb 0.79 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1iti h VAL 55 CO -0.52 0.00 0.87 -0.07 0.02 0.00 0.00 177.57 177.87 1iti h LEU 56 N -1.18 0.07 0.30 2.57 3.38 -0.80 -0.37 115.31 119.29 1iti h LEU 56 Ca -0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1iti h LEU 56 Cb 0.73 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iti h LEU 56 CO 0.16 0.00 -0.14 -0.09 0.09 0.00 0.00 178.44 178.46 1iti h ARG 57 N 0.06 -0.39 0.00 1.13 2.43 -0.30 -2.36 114.38 114.95 1iti h ARG 57 Ca 0.61 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1iti h ARG 57 Cb 2.28 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.92 1iti h ARG 57 CO -0.07 -0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.14 1iti n GLN 58 N -3.27 0.11 0.00 0.20 10.64 -0.63 -1.53 117.38 122.89 1iti n GLN 58 Ca -0.05 0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 1iti n GLN 58 Cb 0.16 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.04 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 -1.10 0.00 1.28 2.61 7.35 -0.24 -3.11 117.46 124.24 1iti n PHE 59 Ca 0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.83 1iti n PHE 59 Cb 0.02 -0.28 0.63 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.80 0.00 -0.03 -5.13 0.18 -0.99 -1.55 117.16 107.84 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 -0.12 -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 0.43 -2.08 0.00 0.00 176.86 175.21 1iti n SER 61 N -1.12 2.09 0.09 9.48 7.64 -0.58 -2.75 113.62 128.46 1iti n SER 61 Ca 0.14 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.30 1iti n SER 61 Cb 0.12 -0.78 0.04 0.00 -1.01 0.00 0.00 64.21 62.58 1iti n SER 61 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1iti n HIS 62 N -3.50 0.82 -0.11 1.43 8.25 -1.18 -4.16 115.22 116.76 1iti n HIS 62 Ca -0.35 0.24 -0.24 0.00 -0.26 0.00 0.00 57.72 57.11 1iti n HIS 62 Cb 1.02 -0.85 -0.11 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.48 0.75 0.29 4.41 8.25 -0.60 -3.64 115.22 122.21 1iti n HIS 63 Ca 0.01 0.31 0.07 0.00 -0.26 0.00 0.00 57.72 57.85 1iti n HIS 63 Cb 0.51 -1.08 0.40 0.00 1.12 0.00 0.00 29.99 30.95 1iti n HIS 63 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1iti h GLU 64 N -0.92 0.00 0.00 -0.41 4.22 -1.70 1.18 114.58 116.95 1iti h GLU 64 Ca -0.45 0.00 -0.31 0.00 0.08 0.00 0.00 59.36 58.68 1iti h GLU 64 Cb 1.44 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 1iti h GLU 64 CO -0.25 0.00 -1.83 1.63 -2.18 0.00 0.00 179.01 176.38 1iti n LYS 65 N -2.53 0.64 -2.78 1.92 5.02 -1.26 -4.89 118.16 114.28 1iti n LYS 65 Ca -0.01 0.25 -0.34 0.00 -2.02 0.00 0.00 58.31 56.19 1iti n LYS 65 Cb 0.62 -1.75 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 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 -6.02 7.01 -0.47 4.39 2.15 0.40 -4.94 116.67 119.18 1iti s ASP 66 Ca -0.06 1.76 -0.02 0.00 0.43 0.00 0.00 52.55 54.65 1iti s ASP 66 Cb 0.08 -2.55 0.20 0.00 -0.30 0.00 0.00 42.92 40.35 1iti s ASP 66 CO 0.82 -0.31 2.31 0.35 -0.17 0.00 0.00 175.17 178.17 1iti n THR 67 N -0.31 3.19 -0.08 1.71 -2.24 -1.26 -4.45 114.28 110.83 1iti n THR 67 Ca 0.06 -2.60 -0.08 0.00 -2.27 0.00 0.00 64.05 59.16 1iti n THR 67 Cb 0.53 -1.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.33 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 0.28 0.48 -0.01 -0.78 5.12 -1.26 -4.09 116.66 116.41 1iti n ARG 68 Ca 0.44 0.46 0.00 0.00 -1.93 0.00 0.00 57.85 56.83 1iti n ARG 68 Cb 0.55 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 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 -0.36 1.10 -0.37 0.00 4.77 -1.26 -4.81 117.00 116.07 1iti n LEU 70 Ca 0.00 0.36 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 1iti n LEU 70 Cb 0.07 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 40.46 1iti n LEU 70 CO 0.00 -0.43 -0.07 0.61 -1.33 0.00 0.00 177.39 176.17 1iti n GLY 71 N 1.59 -1.44 0.06 -0.72 0.00 -1.25 -4.16 105.19 99.26 1iti n GLY 71 Ca -0.06 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.36 2.17 -1.48 4.61 0.00 -1.26 -4.85 120.51 118.35 1iti n ALA 72 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 53.44 52.24 1iti n ALA 72 Cb 0.17 -0.62 0.01 0.00 0.00 0.00 0.00 19.45 19.01 1iti n ALA 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1iti n THR 73 N -2.58 1.89 0.09 0.00 -2.24 -1.26 -4.89 114.28 105.30 1iti n THR 73 Ca -0.15 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 60.94 1iti n THR 73 Cb 0.83 -0.62 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 1iti n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iti h ALA 74 N 0.89 0.12 -0.22 6.98 0.00 -1.94 -2.91 119.26 122.17 1iti h ALA 74 Ca -0.41 -1.02 -0.12 0.00 0.00 0.00 0.00 54.91 53.36 1iti h ALA 74 Cb 1.39 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1iti h ALA 74 CO 0.52 0.98 -0.39 -0.56 0.00 0.00 0.00 179.25 179.80 1iti h GLN 75 N 0.10 0.50 0.00 0.00 -0.00 -1.98 -2.75 115.11 110.97 1iti h GLN 75 Ca -0.25 -0.25 -0.12 0.00 -0.00 0.00 0.00 58.65 58.04 1iti h GLN 75 Cb 2.06 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.52 1iti h GLN 75 CO 0.20 0.81 -0.55 0.37 -0.00 0.00 0.00 178.83 179.66 1iti h GLN 76 N 0.42 0.00 0.56 0.06 4.15 -1.88 -1.72 115.11 116.70 1iti h GLN 76 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 1iti h GLN 76 Cb 0.87 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.56 1iti h GLN 76 CO 0.07 0.55 -0.27 0.35 -1.93 0.00 0.00 178.83 177.60 1iti h PHE 77 N 0.00 -0.70 -0.11 3.99 3.57 -1.28 -0.37 116.94 122.04 1iti h PHE 77 Ca -0.01 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1iti h PHE 77 Cb 1.10 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.07 1iti h PHE 77 CO 0.00 -0.37 0.01 1.25 -2.23 0.00 0.00 178.31 176.97 1iti h HIS 78 N -0.94 0.20 -0.82 0.41 2.76 -1.58 -2.46 115.15 112.71 1iti h HIS 78 Ca -0.08 -0.03 0.20 0.00 -2.20 0.00 0.00 60.37 58.26 1iti h HIS 78 Cb 0.64 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.49 1iti h HIS 78 CO -0.00 0.40 0.56 -0.09 -1.30 0.00 0.00 177.93 177.50 1iti h ARG 79 N -0.06 0.26 -0.07 5.26 2.43 -1.33 -0.54 114.38 120.34 1iti h ARG 79 Ca 0.03 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1iti h ARG 79 Cb 0.31 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1iti h ARG 79 CO 0.00 0.17 -0.07 1.25 -1.51 0.00 0.00 179.97 179.82 1iti h HIS 80 N 0.27 0.21 -0.05 2.20 2.76 -0.62 -2.94 115.15 116.98 1iti h HIS 80 Ca 0.41 -0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.55 1iti h HIS 80 Cb 1.19 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.07 1iti h HIS 80 CO -0.00 0.61 -0.17 0.87 -1.30 0.00 0.00 177.93 177.94 1iti h LYS 81 N -0.26 -0.24 -1.03 5.26 1.57 -0.70 -0.39 116.57 120.78 1iti h LYS 81 Ca 0.01 0.02 0.26 0.00 -1.87 0.00 0.00 60.65 59.06 1iti h LYS 81 Cb 0.58 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.84 1iti h LYS 81 CO 0.02 -0.16 0.66 1.96 -0.57 0.00 0.00 179.45 181.35 1iti h GLN 82 N -0.25 0.42 0.65 3.15 4.20 -1.35 -0.90 115.11 121.03 1iti h GLN 82 Ca 0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1iti h GLN 82 Cb 0.35 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.04 1iti h GLN 82 CO -0.20 0.28 -0.31 1.25 -0.67 0.00 0.00 178.83 179.18 1iti h LEU 83 N 0.43 -0.74 -0.93 1.46 6.46 -0.89 -2.56 115.31 118.54 1iti h LEU 83 Ca 0.59 -0.01 0.24 0.00 -0.12 0.00 0.00 57.88 58.58 1iti h LEU 83 Cb 1.43 0.19 -0.13 0.00 -0.73 0.00 0.00 40.66 41.42 1iti h LEU 83 CO -0.31 -0.43 0.43 0.40 -0.62 0.00 0.00 178.44 177.91 1iti h ILE 84 N -1.03 0.43 -0.45 4.05 1.08 -0.70 0.27 117.51 121.15 1iti h ILE 84 Ca -0.09 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.29 1iti h ILE 84 Cb 0.71 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.43 1iti h ILE 84 CO 0.15 0.07 0.21 0.03 -0.69 0.00 0.00 178.15 177.91 1iti h ARG 85 N 0.38 0.40 -0.42 2.37 2.47 -1.10 0.16 114.38 118.64 1iti h ARG 85 Ca 0.60 -0.02 0.03 0.00 -1.26 0.00 0.00 59.98 59.32 1iti h ARG 85 Cb 1.20 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.40 1iti h ARG 85 CO -0.55 0.27 0.23 0.74 0.56 0.00 0.00 179.97 181.21 1iti h PHE 86 N 0.42 0.42 -0.38 3.04 0.04 -0.09 -0.52 116.94 119.87 1iti h PHE 86 Ca 0.20 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1iti h PHE 86 Cb 0.13 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1iti h PHE 86 CO -0.12 0.23 0.13 -0.07 -0.60 0.00 0.00 178.31 177.88 1iti h LEU 87 N 0.46 0.55 -1.08 1.54 3.38 -0.74 -1.29 115.31 118.12 1iti h LEU 87 Ca 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iti h LEU 87 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1iti h LEU 87 CO -0.11 0.60 0.00 1.17 0.09 0.00 0.00 178.44 180.19 1iti n LYS 88 N -4.63 0.16 0.00 1.13 4.81 0.49 -0.89 118.16 119.23 1iti n LYS 88 Ca -0.01 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1iti n LYS 88 Cb 0.17 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1iti n LYS 88 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1iti n ARG 89 N -2.24 0.00 0.01 1.64 0.63 -0.25 -3.91 116.66 112.54 1iti n ARG 89 Ca 0.00 0.28 0.19 0.00 -0.92 0.00 0.00 57.85 57.40 1iti n ARG 89 Cb 0.13 -0.75 0.68 0.00 0.45 0.00 0.00 32.46 32.96 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 0.02 -1.33 6.15 8.10 -1.46 0.29 115.31 127.08 1iti h LEU 90 Ca 0.00 0.00 0.15 0.00 0.11 0.00 0.00 57.88 58.14 1iti h LEU 90 Cb 0.00 -0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.15 1iti h LEU 90 CO 0.00 0.01 0.57 -0.78 -4.11 0.00 0.00 178.44 174.13 1iti h ASP 91 N 0.02 0.61 0.66 0.17 3.58 -1.19 -0.55 116.42 119.73 1iti h ASP 91 Ca 0.24 0.04 -0.27 0.00 0.42 0.00 0.00 57.03 57.46 1iti h ASP 91 Cb 0.92 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.86 1iti h ASP 91 CO -0.01 0.30 -1.41 0.03 -2.88 0.00 0.00 179.24 175.27 1iti h ARG 92 N 0.64 0.06 0.46 0.28 2.47 -1.07 -3.29 114.38 113.94 1iti h ARG 92 Ca 0.45 -0.11 -0.02 0.00 -1.26 0.00 0.00 59.98 59.04 1iti h ARG 92 Cb 0.78 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 1iti h ARG 92 CO -0.20 0.84 -0.30 -0.91 0.56 0.00 0.00 179.97 179.96 1iti h ASN 93 N 0.02 -0.75 0.00 7.04 -0.26 -0.74 0.12 115.58 121.01 1iti h ASN 93 Ca -0.18 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1iti h ASN 93 Cb 1.92 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 39.41 1iti h ASN 93 CO 0.12 -0.46 0.00 0.18 -1.06 0.00 0.00 177.43 176.20 1iti n LEU 94 N -5.43 0.00 0.10 1.61 4.77 -0.67 -0.40 117.00 116.97 1iti n LEU 94 Ca -0.11 0.92 0.03 0.00 -0.03 0.00 0.00 56.01 56.82 1iti n LEU 94 Cb 0.33 -0.42 0.17 0.00 -2.33 0.00 0.00 43.42 41.16 1iti n LEU 94 CO 0.33 -0.42 0.67 1.87 -1.33 0.00 0.00 177.39 178.51 1iti n TRP 95 N -2.07 0.21 0.00 -1.77 -0.00 -1.23 -2.09 117.44 110.49 1iti n TRP 95 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1iti n TRP 95 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 31.31 30.90 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 -1.25 -0.84 0.00 5.87 0.00 0.46 -3.18 105.19 106.24 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 -1.92 0.00 -0.00 0.99 -0.00 -0.78 -2.93 117.00 112.35 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 h ALA 98 N 1.98 0.00 -3.63 1.47 0.00 -1.45 -3.50 119.26 114.13 1iti h ALA 98 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1iti h ALA 98 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iti h ALA 98 CO 0.00 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.58 1iti n GLY 99 N 1.95 -0.21 2.69 0.00 0.00 -1.15 -5.05 105.19 103.41 1iti n GLY 99 Ca -0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.92 0.18 0.19 0.99 1.43 -1.26 -5.00 118.68 112.29 1iti s LEU 100 Ca 0.04 -1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 51.28 1iti s LEU 100 Cb -0.01 0.35 0.20 0.00 0.03 0.00 0.00 46.19 46.76 1iti s LEU 100 CO 0.19 -0.27 1.74 -1.13 0.23 0.00 0.00 176.35 177.12 1iti h ASN 101 N 7.01 0.17 -3.53 2.29 -0.00 -1.99 -3.36 115.58 116.17 1iti h ASN 101 Ca 0.06 0.07 -0.62 0.00 -0.00 0.00 0.00 56.30 55.80 1iti h ASN 101 Cb 1.04 0.06 -0.12 0.00 -0.00 0.00 0.00 38.32 39.29 1iti h ASN 101 CO 0.21 0.12 0.19 -0.44 -0.00 0.00 0.00 177.43 177.51 1iti s SER 102 N -5.38 6.49 -0.44 1.15 0.01 -1.26 -4.91 113.70 109.36 1iti s SER 102 Ca -0.13 0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.51 1iti s SER 102 Cb 0.15 -2.34 0.26 0.00 0.21 0.00 0.00 66.02 64.31 1iti s SER 102 CO 0.73 -0.55 1.03 0.00 0.41 0.00 0.00 173.24 174.87 1iti s PRO 104 N 0.46 2.81 -0.12 0.00 0.05 -1.26 -4.86 135.00 132.08 1iti s PRO 104 Ca 0.29 1.91 -0.17 0.00 0.05 0.00 0.00 61.00 63.08 1iti s PRO 104 Cb 0.24 -1.90 -0.04 0.00 0.05 0.00 0.00 34.50 32.85 1iti s PRO 104 CO -0.18 -1.36 0.44 0.54 0.05 0.00 0.00 177.00 176.49 1iti s VAL 105 N -1.53 5.20 0.00 -0.36 0.11 -1.26 -4.98 120.40 117.58 1iti s VAL 105 Ca 0.79 0.87 0.00 0.00 -2.93 0.00 0.00 61.98 60.71 1iti s VAL 105 Cb -0.33 -3.77 0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1iti s VAL 105 CO 0.36 0.35 0.00 1.17 -3.33 0.00 0.00 175.10 173.65 1iti n LYS 106 N 3.53 0.00 -4.05 1.54 4.81 -1.26 -5.10 118.16 117.64 1iti n LYS 106 Ca -0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.27 1iti n LYS 106 Cb 0.52 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.48 1iti n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1iti s GLU 107 N 0.18 0.89 0.00 1.64 0.41 -1.26 -5.17 118.70 115.38 1iti s GLU 107 Ca 0.00 -1.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 1iti s GLU 107 Cb 0.00 0.28 0.00 0.00 -1.78 0.00 0.00 34.13 32.63 1iti s GLU 107 CO 0.00 -0.26 0.00 0.00 -0.49 0.00 0.00 175.26 174.51 1iti n ALA 108 N -0.07 0.00 -1.63 5.21 0.00 -1.26 -4.87 120.51 117.88 1iti n ALA 108 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 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 -1.01 0.00 -4.01 0.00 8.00 -1.26 -4.95 116.55 113.31 1iti n ASP 109 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1iti n ASP 109 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1iti n ASP 109 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1iti s GLN 110 N 1.36 1.25 0.04 -1.24 0.74 -1.26 -4.41 119.66 116.14 1iti s GLN 110 Ca 0.00 -1.27 -0.01 0.00 0.05 0.00 0.00 55.36 54.13 1iti s GLN 110 Cb 0.00 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.50 1iti s GLN 110 CO 0.00 -0.47 0.08 -1.13 -0.55 0.00 0.00 175.29 173.22 1iti n SER 111 N -0.26 -0.22 -3.94 6.67 3.41 -0.47 -4.25 113.62 114.56 1iti n SER 111 Ca -0.05 -1.15 -0.18 0.00 -0.26 0.00 0.00 58.87 57.24 1iti n SER 111 Cb 0.63 0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 64.79 1iti n SER 111 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1iti s THR 112 N -2.89 0.49 0.54 6.66 -4.23 -1.26 -1.45 115.64 113.50 1iti s THR 112 Ca 0.02 -0.20 0.37 0.00 -1.18 0.00 0.00 61.69 60.70 1iti s THR 112 Cb -0.00 -0.46 0.57 0.00 1.34 0.00 0.00 72.50 73.94 1iti s THR 112 CO 0.01 0.17 1.79 0.25 -0.54 0.00 0.00 174.62 176.30 1iti h LEU 113 N 6.47 0.00 0.00 4.79 5.85 -1.73 0.47 115.31 131.16 1iti h LEU 113 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1iti h LEU 113 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1iti h LEU 113 CO 0.49 0.00 0.00 1.21 -0.34 0.00 0.00 178.44 179.80 1iti n GLU 114 N -4.17 0.00 -0.25 1.25 2.13 -1.26 -2.19 120.64 116.15 1iti n GLU 114 Ca 0.27 0.02 0.06 0.00 0.66 0.00 0.00 57.16 58.17 1iti n GLU 114 Cb 1.29 -0.76 0.18 0.00 0.27 0.00 0.00 31.44 32.43 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 -0.05 -0.76 4.31 2.35 -1.93 0.17 115.58 119.67 1iti h ASN 115 Ca 0.00 0.16 0.18 0.00 -0.55 0.00 0.00 56.30 56.08 1iti h ASN 115 Cb 0.00 0.22 -0.13 0.00 0.05 0.00 0.00 38.32 38.47 1iti h ASN 115 CO 0.00 -0.07 0.09 0.15 -1.65 0.00 0.00 177.43 175.95 1iti h PHE 116 N 0.23 0.10 -0.20 1.19 3.04 -0.19 0.78 116.94 121.89 1iti h PHE 116 Ca 0.42 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.38 1iti h PHE 116 Cb 0.73 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 1iti h PHE 116 CO -0.29 -0.19 -0.07 -0.07 -2.02 0.00 0.00 178.31 175.67 1iti h LEU 117 N 0.16 0.28 0.14 0.59 3.38 -0.18 -1.65 115.31 118.04 1iti h LEU 117 Ca 0.43 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1iti h LEU 117 Cb 0.77 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1iti h LEU 117 CO -0.61 0.39 -0.06 -0.08 0.09 0.00 0.00 178.44 178.17 1iti h GLU 118 N 0.29 -0.17 -1.08 1.13 4.57 0.10 0.13 114.58 119.54 1iti h GLU 118 Ca 0.06 0.01 0.30 0.00 -1.18 0.00 0.00 59.36 58.55 1iti h GLU 118 Cb 0.32 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.84 1iti h GLU 118 CO 0.01 -0.12 0.68 0.07 -1.18 0.00 0.00 179.01 178.48 1iti h ARG 119 N -0.25 0.35 0.62 1.92 0.11 -1.25 0.14 114.38 116.01 1iti h ARG 119 Ca -0.02 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 1iti h ARG 119 Cb 0.14 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.15 1iti h ARG 119 CO 0.03 0.23 -0.30 1.25 0.10 0.00 0.00 179.97 181.28 1iti h LEU 120 N 0.36 -0.70 -0.64 0.08 6.46 -1.24 -1.01 115.31 118.62 1iti h LEU 120 Ca 0.66 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.54 1iti h LEU 120 Cb 1.68 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 41.69 1iti h LEU 120 CO -0.37 -0.32 0.13 0.50 -0.62 0.00 0.00 178.44 177.76 1iti h LYS 121 N -1.19 0.24 -0.85 1.25 3.64 0.61 0.19 116.57 120.46 1iti h LYS 121 Ca -0.09 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1iti h LYS 121 Cb 0.66 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1iti h LYS 121 CO 0.14 0.16 0.56 1.15 -2.27 0.00 0.00 179.45 179.19 1iti h THR 122 N 0.25 1.18 -0.07 1.00 2.02 -0.76 -0.89 112.91 115.64 1iti h THR 122 Ca 0.34 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1iti h THR 122 Cb 0.53 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1iti h THR 122 CO -0.44 0.20 -0.30 0.40 0.37 0.00 0.00 175.52 175.75 1iti h ILE 123 N 1.10 1.24 0.72 3.11 2.04 0.71 -2.22 117.51 124.22 1iti h ILE 123 Ca 0.32 -1.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1iti h ILE 123 Cb -0.05 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1iti h ILE 123 CO -0.08 0.34 -0.35 0.24 0.00 0.00 0.00 178.15 178.30 1iti h MET 124 N 0.12 -0.94 -0.31 2.37 2.86 0.23 -1.69 114.93 117.57 1iti h MET 124 Ca 0.02 0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1iti h MET 124 Cb 0.59 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1iti h MET 124 CO 0.04 -0.61 0.27 0.00 1.06 0.00 0.00 176.91 177.68 1iti h ARG 125 N -1.23 0.00 0.19 1.72 3.08 -1.45 0.50 114.38 117.18 1iti h ARG 125 Ca -0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1iti h ARG 125 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1iti h ARG 125 CO 0.16 0.00 -0.09 1.49 -1.07 0.00 0.00 179.97 180.46 1iti h GLU 126 N 0.00 -0.24 0.00 0.04 4.81 -1.10 -3.02 114.58 115.08 1iti h GLU 126 Ca 0.15 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1iti h GLU 126 Cb 0.70 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1iti h GLU 126 CO -0.00 0.12 0.00 1.63 -0.73 0.00 0.00 179.01 180.03 1iti n LYS 127 N -5.02 0.14 0.00 1.92 5.02 -0.66 -3.03 118.16 116.52 1iti n LYS 127 Ca -0.09 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 1iti n LYS 127 Cb 0.25 -1.68 0.27 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.92 0.00 -2.00 2.13 9.36 0.17 -4.66 117.16 120.24 1iti n TYR 128 Ca 0.06 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.85 1iti n TYR 128 Cb 0.35 -0.21 -0.03 0.00 -0.63 0.00 0.00 39.34 38.83 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 -2.42 6.40 0.00 2.98 1.04 -1.17 -4.60 113.70 115.94 1iti s SER 129 Ca 0.11 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1iti s SER 129 Cb 0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1iti s SER 129 CO 0.15 -1.19 0.00 2.29 0.98 0.00 0.00 173.24 175.47 1iti n LYS 130 N 7.56 0.00 0.00 4.02 2.85 -1.26 -4.92 118.16 126.41 1iti n LYS 130 Ca 0.19 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.49 1iti n LYS 130 Cb 0.44 0.00 0.19 0.00 -0.65 0.00 0.00 35.03 35.01 1iti n LYS 130 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1iti n SER 132 N -1.43 5.51 -0.55 0.00 2.88 -1.26 -5.05 113.62 113.72 1iti n SER 132 Ca 0.03 -3.13 0.14 0.00 -1.33 0.00 0.00 58.87 54.57 1iti n SER 132 Cb 0.09 -0.91 0.46 0.00 -0.75 0.00 0.00 64.21 63.10 1iti n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57