#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iar n LYS 2 N 0.00 0.00 -2.45 1.57 5.02 -1.26 -3.50 118.16 117.54 1iar n LYS 2 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1iar n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1iar n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1iar s ASP 4 N 2.99 4.08 0.54 0.00 -4.77 -1.23 -4.85 116.67 113.43 1iar s ASP 4 Ca 0.47 0.19 0.25 0.00 -3.30 0.00 0.00 52.55 50.16 1iar s ASP 4 Cb 0.05 -0.55 1.53 0.00 -1.09 0.00 0.00 42.92 42.86 1iar s ASP 4 CO 0.01 -2.08 2.16 0.16 0.70 0.00 0.00 175.17 176.12 1iar h ILE 5 N -0.97 0.70 -0.64 2.11 3.07 -1.94 -1.73 117.51 118.12 1iar h ILE 5 Ca -0.42 -0.21 -0.03 0.00 1.55 0.00 0.00 64.86 65.75 1iar h ILE 5 Cb 1.28 1.12 -0.03 0.00 -0.27 0.00 0.00 36.82 38.92 1iar h ILE 5 CO 0.47 0.05 0.28 0.74 -1.05 0.00 0.00 178.15 178.65 1iar h THR 6 N 0.00 1.23 -0.33 0.16 2.02 -1.97 -0.37 112.91 113.65 1iar h THR 6 Ca -0.00 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.39 1iar h THR 6 Cb 0.12 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1iar h THR 6 CO 0.01 0.27 -0.27 0.25 0.37 0.00 0.00 175.52 176.15 1iar h LEU 7 N 0.89 0.81 -1.09 2.58 5.85 -1.68 -2.39 115.31 120.27 1iar h LEU 7 Ca 0.22 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1iar h LEU 7 Cb 0.16 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1iar h LEU 7 CO -0.02 1.09 0.42 1.56 -0.34 0.00 0.00 178.44 181.15 1iar h GLN 8 N 0.55 1.05 -0.42 1.25 4.20 -1.20 -1.79 115.11 118.75 1iar h GLN 8 Ca 0.06 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 1iar h GLN 8 Cb 0.83 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1iar h GLN 8 CO 0.07 0.77 -0.30 0.93 -0.67 0.00 0.00 178.83 179.63 1iar h GLU 9 N 1.06 0.93 0.06 1.46 5.08 -0.98 -1.70 114.58 120.50 1iar h GLU 9 Ca 0.27 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1iar h GLU 9 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iar h GLU 9 CO -0.04 1.10 -0.03 0.82 -1.00 0.00 0.00 179.01 179.85 1iar h ILE 10 N 0.78 1.00 -0.42 3.13 2.04 -1.17 -1.60 117.51 121.27 1iar h ILE 10 Ca 0.09 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1iar h ILE 10 Cb 0.87 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1iar h ILE 10 CO 0.08 0.05 0.18 0.40 0.00 0.00 0.00 178.15 178.86 1iar h ILE 11 N -0.18 0.93 -0.74 -0.67 1.08 -1.33 0.59 117.51 117.19 1iar h ILE 11 Ca -0.01 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1iar h ILE 11 Cb 0.15 0.52 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 1iar h ILE 11 CO 0.01 0.07 0.44 0.11 -0.69 0.00 0.00 178.15 178.10 1iar h LYS 12 N 0.37 0.80 -0.40 2.37 1.57 -1.11 0.30 116.57 120.48 1iar h LYS 12 Ca 0.19 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1iar h LYS 12 Cb 0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1iar h LYS 12 CO -0.16 0.53 -0.34 1.15 -0.57 0.00 0.00 179.45 180.06 1iar h THR 13 N 0.82 1.27 -0.87 -0.16 2.02 -0.74 -0.61 112.91 114.65 1iar h THR 13 Ca 0.32 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.98 1iar h THR 13 Cb 0.14 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1iar h THR 13 CO -0.16 0.51 0.53 -0.07 0.37 0.00 0.00 175.52 176.69 1iar h LEU 14 N 0.76 1.04 -0.69 2.58 3.38 -0.51 0.35 115.31 122.21 1iar h LEU 14 Ca 0.07 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1iar h LEU 14 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1iar h LEU 14 CO 0.09 0.80 -0.62 0.78 0.09 0.00 0.00 178.44 179.57 1iar h ASN 15 N 1.20 0.14 1.41 -0.43 2.35 -0.69 -2.88 115.58 116.68 1iar h ASN 15 Ca 0.31 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.86 1iar h ASN 15 Cb -0.05 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1iar h ASN 15 CO -0.06 0.73 -0.58 0.28 -1.65 0.00 0.00 177.43 176.14 1iar h SER 16 N 0.09 0.00 0.38 5.81 0.02 -0.11 -3.32 113.55 116.43 1iar h SER 16 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1iar h SER 16 Cb 1.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1iar h SER 16 CO 0.09 0.58 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.11 1iar h LEU 17 N 0.00 -0.43 -0.21 5.07 3.38 -0.27 -3.10 115.31 119.75 1iar h LEU 17 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1iar h LEU 17 Cb 1.44 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.30 1iar h LEU 17 CO 0.08 0.00 0.24 0.35 0.09 0.00 0.00 178.44 179.20 1iar n THR 18 N -5.14 1.00 -0.67 0.22 -2.24 -1.09 -0.44 114.28 105.93 1iar n THR 18 Ca -0.09 0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 62.17 1iar n THR 18 Cb 0.27 -1.56 0.22 0.00 -2.10 0.00 0.00 70.33 67.16 1iar n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iar n GLU 19 N -1.47 2.91 -3.15 -0.78 -0.58 -1.17 -4.77 120.64 111.62 1iar n GLU 19 Ca -0.00 -2.46 0.06 0.00 -0.42 0.00 0.00 57.16 54.34 1iar n GLU 19 Cb 0.25 -2.02 -0.01 0.00 -0.57 0.00 0.00 31.44 29.09 1iar n GLU 19 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 1iar s GLN 20 N -2.54 0.13 0.27 3.49 -2.07 0.42 -5.08 119.66 114.28 1iar s GLN 20 Ca 0.45 0.18 -0.04 0.00 -1.82 0.00 0.00 55.36 54.13 1iar s GLN 20 Cb 0.36 0.10 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1iar s GLN 20 CO 0.10 -0.18 0.53 0.15 -1.32 0.00 0.00 175.29 174.58 1iar s LYS 21 N 2.97 3.62 0.10 9.60 -0.14 -1.26 -4.95 119.74 129.67 1iar s LYS 21 Ca 0.09 -0.03 0.06 0.00 -1.36 0.00 0.00 55.97 54.73 1iar s LYS 21 Cb -0.06 -2.68 -0.03 0.00 -1.68 0.00 0.00 37.83 33.38 1iar s LYS 21 CO -0.15 0.25 -0.16 0.99 -0.76 0.00 0.00 175.35 175.51 1iar s THR 22 N -2.04 1.36 0.40 2.17 2.01 -1.26 -5.00 115.64 113.28 1iar s THR 22 Ca 0.43 -1.49 0.20 0.00 0.31 0.00 0.00 61.69 61.14 1iar s THR 22 Cb -0.11 -1.34 0.40 0.00 0.01 0.00 0.00 72.50 71.46 1iar s THR 22 CO 0.29 -0.22 1.75 0.17 -0.69 0.00 0.00 174.62 175.92 1iar h LEU 23 N 4.02 0.42 0.00 4.42 -0.00 -1.94 -0.54 115.31 121.69 1iar h LEU 23 Ca -0.42 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1iar h LEU 23 Cb 1.19 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1iar h LEU 23 CO 0.43 0.04 0.00 0.00 -0.00 0.00 0.00 178.44 178.91 1iar n THR 25 N -1.19 0.11 0.56 0.00 -2.24 -0.21 -1.83 114.28 109.47 1iar n THR 25 Ca 0.15 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 62.07 1iar n THR 25 Cb 0.17 -0.72 0.06 0.00 -2.10 0.00 0.00 70.33 67.73 1iar n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1iar n GLU 26 N -1.07 0.30 -1.78 -0.78 -0.58 -1.24 -1.78 120.64 113.72 1iar n GLU 26 Ca 0.13 0.02 -0.36 0.00 -0.42 0.00 0.00 57.16 56.52 1iar n GLU 26 Cb 0.08 -1.62 0.06 0.00 -0.57 0.00 0.00 31.44 29.40 1iar n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1iar s LEU 27 N -4.03 3.57 0.07 -4.62 1.43 -0.76 -4.61 118.68 109.73 1iar s LEU 27 Ca 0.04 2.55 -0.10 0.00 -1.03 0.00 0.00 54.13 55.59 1iar s LEU 27 Cb 0.14 -4.61 -0.06 0.00 0.03 0.00 0.00 46.19 41.69 1iar s LEU 27 CO 0.78 -1.94 0.40 0.42 0.23 0.00 0.00 176.35 176.25 1iar s THR 28 N -1.49 5.08 0.27 5.49 -4.23 -1.26 -1.75 115.64 117.76 1iar s THR 28 Ca 0.81 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.86 1iar s THR 28 Cb -0.35 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 69.78 1iar s THR 28 CO 0.39 0.32 0.02 0.68 -0.54 0.00 0.00 174.62 175.49 1iar s VAL 29 N -1.36 1.12 0.21 2.29 -7.23 0.22 -4.89 120.40 110.76 1iar s VAL 29 Ca 0.32 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.16 1iar s VAL 29 Cb -0.14 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 1iar s VAL 29 CO 0.17 -0.18 1.27 -0.89 -0.31 0.00 0.00 175.10 175.17 1iar s THR 30 N -3.36 3.27 -1.21 5.32 2.01 -1.26 0.39 115.64 120.80 1iar s THR 30 Ca 0.32 1.07 -0.14 0.00 0.31 0.00 0.00 61.69 63.25 1iar s THR 30 Cb 0.07 -3.69 0.16 0.00 0.01 0.00 0.00 72.50 69.06 1iar s THR 30 CO 0.12 0.17 1.45 -0.62 -0.69 0.00 0.00 174.62 175.06 1iar s ASP 31 N 0.17 7.06 0.00 3.53 2.15 0.71 -4.75 116.67 125.54 1iar s ASP 31 Ca 0.55 -2.96 0.00 0.00 0.43 0.00 0.00 52.55 50.57 1iar s ASP 31 Cb -0.36 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 1iar s ASP 31 CO 0.39 -0.78 0.73 2.30 -0.17 0.00 0.00 175.17 177.65 1iar n ILE 32 N 4.74 0.00 0.41 4.11 -6.64 -1.26 -1.72 119.36 119.00 1iar n ILE 32 Ca 0.37 0.00 0.11 0.00 -1.77 0.00 0.00 62.75 61.46 1iar n ILE 32 Cb 0.43 -0.14 -0.07 0.00 -1.44 0.00 0.00 39.64 38.43 1iar n ILE 32 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1iar n PHE 33 N -0.49 0.19 -0.13 4.28 3.72 -1.26 -4.00 117.46 119.76 1iar n PHE 33 Ca 0.00 0.06 0.28 0.00 -0.05 0.00 0.00 57.45 57.73 1iar n PHE 33 Cb 0.00 -0.43 0.68 0.00 -0.94 0.00 0.00 39.48 38.80 1iar n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1iar h ALA 34 N 2.39 2.69 -5.81 4.37 0.00 -1.75 -3.44 119.26 117.71 1iar h ALA 34 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1iar h ALA 34 Cb 0.80 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1iar h ALA 34 CO 0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 179.25 177.60 1iar n ALA 35 N -2.47 -1.70 -1.00 0.00 0.00 -1.26 -4.89 120.51 109.20 1iar n ALA 35 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1iar n ALA 35 Cb 1.07 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1iar n ALA 35 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1iar n SER 36 N -0.68 0.00 -2.58 0.00 7.64 -1.26 -4.85 113.62 111.89 1iar n SER 36 Ca -0.12 0.21 -0.06 0.00 1.01 0.00 0.00 58.87 59.91 1iar n SER 36 Cb 0.27 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.51 1iar n SER 36 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1iar n LYS 37 N -0.25 -0.94 -3.38 1.43 4.76 -1.26 -4.98 118.16 113.54 1iar n LYS 37 Ca 0.00 -0.40 -0.39 0.00 -2.87 0.00 0.00 58.31 54.65 1iar n LYS 37 Cb 0.00 -0.32 -0.09 0.00 -1.84 0.00 0.00 35.03 32.78 1iar n LYS 37 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1iar s ASN 38 N -2.08 6.27 0.18 4.39 0.02 -1.26 -5.05 114.94 117.41 1iar s ASN 38 Ca 0.15 0.30 0.07 0.00 -1.02 0.00 0.00 52.86 52.36 1iar s ASN 38 Cb -0.01 -2.22 -0.04 0.00 0.02 0.00 0.00 41.25 39.00 1iar s ASN 38 CO 0.11 -0.20 -0.15 0.28 0.02 0.00 0.00 177.10 177.17 1iar s THR 39 N 2.09 1.65 0.61 1.60 -1.32 -1.26 -5.16 115.64 113.85 1iar s THR 39 Ca 0.15 -2.07 -0.04 0.00 -1.21 0.00 0.00 61.69 58.52 1iar s THR 39 Cb -0.16 -1.92 0.03 0.00 -1.51 0.00 0.00 72.50 68.95 1iar s THR 39 CO 0.10 -0.53 0.89 0.28 -2.21 0.00 0.00 174.62 173.15 1iar s THR 40 N -2.70 2.99 0.25 5.08 -1.32 -1.26 -4.95 115.64 113.73 1iar s THR 40 Ca 0.19 -0.28 -0.05 0.00 -1.21 0.00 0.00 61.69 60.34 1iar s THR 40 Cb -0.02 -3.20 0.24 0.00 -1.51 0.00 0.00 72.50 68.01 1iar s THR 40 CO 0.06 -0.19 1.89 -0.08 -2.21 0.00 0.00 174.62 174.09 1iar h GLU 41 N -0.22 1.13 -0.75 7.08 4.81 -2.01 -1.85 114.58 122.76 1iar h GLU 41 Ca -0.44 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1iar h GLU 41 Cb 1.29 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1iar h GLU 41 CO 0.58 0.75 0.35 0.87 -0.73 0.00 0.00 179.01 180.84 1iar h LYS 42 N 1.17 1.09 -0.38 1.92 1.57 -1.94 -0.69 116.57 119.31 1iar h LYS 42 Ca 0.39 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1iar h LYS 42 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1iar h LYS 42 CO -0.14 0.86 0.09 0.93 -0.57 0.00 0.00 179.45 180.62 1iar h GLU 43 N 1.07 0.55 0.06 3.15 5.08 -1.71 -0.40 114.58 122.38 1iar h GLU 43 Ca 0.26 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1iar h GLU 43 Cb 0.13 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1iar h GLU 43 CO -0.03 0.51 -0.03 1.15 -1.00 0.00 0.00 179.01 179.61 1iar h THR 44 N 0.54 1.14 -0.62 1.13 2.02 -0.76 -0.21 112.91 116.15 1iar h THR 44 Ca 0.13 -0.71 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1iar h THR 44 Cb 0.21 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 1iar h THR 44 CO -0.00 0.18 0.33 -0.26 0.37 0.00 0.00 175.52 176.14 1iar h PHE 45 N -0.40 0.61 -0.16 3.16 0.04 -0.89 0.48 116.94 119.78 1iar h PHE 45 Ca -0.01 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1iar h PHE 45 Cb 0.35 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1iar h PHE 45 CO 0.03 0.29 0.09 0.00 -0.60 0.00 0.00 178.31 178.13 1iar h ARG 47 N 0.18 0.35 -0.30 0.00 3.08 -0.50 0.06 114.38 117.25 1iar h ARG 47 Ca 0.06 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1iar h ARG 47 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1iar h ARG 47 CO -0.01 0.54 -0.01 0.00 -1.07 0.00 0.00 179.97 179.42 1iar h ALA 48 N 1.47 0.40 -0.64 0.04 0.00 -0.68 0.12 119.26 119.97 1iar h ALA 48 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1iar h ALA 48 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1iar h ALA 48 CO 0.04 0.16 0.42 0.00 0.00 0.00 0.00 179.25 179.86 1iar h ALA 49 N 0.83 0.82 -0.62 0.00 0.00 -0.52 -0.57 119.26 119.19 1iar h ALA 49 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1iar h ALA 49 Cb 0.45 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1iar h ALA 49 CO 0.02 0.21 0.11 1.15 0.00 0.00 0.00 179.25 180.74 1iar h THR 50 N 0.84 1.25 -0.37 0.00 2.02 -0.62 -0.69 112.91 115.36 1iar h THR 50 Ca 0.24 -0.98 -0.14 0.00 0.77 0.00 0.00 66.41 66.30 1iar h THR 50 Cb -0.06 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1iar h THR 50 CO -0.07 0.36 -0.34 0.58 0.37 0.00 0.00 175.52 176.43 1iar h VAL 51 N 0.95 1.28 -0.61 3.16 2.07 -0.13 -2.09 116.25 120.88 1iar h VAL 51 Ca 0.19 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1iar h VAL 51 Cb 0.40 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1iar h VAL 51 CO 0.01 0.50 0.17 -0.07 0.02 0.00 0.00 177.57 178.20 1iar h LEU 52 N 0.69 0.87 -0.48 2.57 3.38 -0.80 -2.81 115.31 118.74 1iar h LEU 52 Ca 0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1iar h LEU 52 Cb 0.90 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1iar h LEU 52 CO 0.08 0.83 0.22 -0.09 0.09 0.00 0.00 178.44 179.57 1iar h ARG 53 N 0.90 0.69 -0.41 1.13 2.43 -0.91 -2.20 114.38 116.03 1iar h ARG 53 Ca 0.20 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1iar h ARG 53 Cb 0.28 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1iar h ARG 53 CO -0.01 0.59 0.23 1.96 -1.51 0.00 0.00 179.97 181.24 1iar h GLN 54 N 0.63 0.55 -0.02 0.20 4.20 -1.14 -2.59 115.11 116.94 1iar h GLN 54 Ca 0.16 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1iar h GLN 54 Cb 0.13 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1iar h GLN 54 CO -0.02 0.39 -0.05 0.35 -0.67 0.00 0.00 178.83 178.83 1iar h PHE 55 N 0.56 0.09 -0.06 2.96 3.04 -1.20 -2.77 116.94 119.56 1iar h PHE 55 Ca 0.15 -0.03 -0.13 0.00 3.98 0.00 0.00 57.97 61.94 1iar h PHE 55 Cb -0.00 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.48 1iar h PHE 55 CO 0.00 0.66 -0.53 0.10 -2.02 0.00 0.00 178.31 176.52 1iar h TYR 56 N -0.51 0.20 -0.83 0.41 -0.00 -1.42 -0.24 116.97 114.59 1iar h TYR 56 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 58.73 58.65 1iar h TYR 56 Cb 0.66 -0.04 -0.04 0.00 0.00 0.00 0.00 36.73 37.31 1iar h TYR 56 CO 0.13 0.66 0.48 0.77 -0.00 0.00 0.00 178.16 180.21 1iar h SER 57 N 0.13 1.01 0.48 0.10 0.02 -1.53 0.17 113.55 113.93 1iar h SER 57 Ca 0.00 -0.08 -0.30 0.00 -0.84 0.00 0.00 61.79 60.58 1iar h SER 57 Cb 0.98 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1iar h SER 57 CO 0.08 0.80 -1.63 -0.74 -1.14 0.00 0.00 176.83 174.19 1iar h HIS 58 N 1.15 0.18 -0.11 3.45 -0.00 -1.35 -3.40 115.15 115.06 1iar h HIS 58 Ca 0.30 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 1iar h HIS 58 Cb -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1iar h HIS 58 CO -0.00 1.22 0.00 0.72 -0.00 0.00 0.00 177.93 179.87 1iar n HIS 59 N -3.24 0.13 -0.29 5.26 8.25 -0.11 -4.52 115.22 120.69 1iar n HIS 59 Ca -0.17 -0.09 -0.04 0.00 -0.26 0.00 0.00 57.72 57.15 1iar n HIS 59 Cb 1.04 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.21 1iar n HIS 59 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1iar h GLU 60 N 3.24 1.08 -0.34 -0.41 4.81 -1.14 -2.64 114.58 119.18 1iar h GLU 60 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1iar h GLU 60 Cb 0.73 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1iar h GLU 60 CO 0.00 0.75 0.00 1.63 -0.73 0.00 0.00 179.01 180.66 1iar n LYS 61 N -4.48 2.14 -2.13 1.92 5.02 -1.26 -4.92 118.16 114.45 1iar n LYS 61 Ca 0.08 -1.73 -0.41 0.00 -2.02 0.00 0.00 58.31 54.23 1iar n LYS 61 Cb 0.05 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1iar n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iar s ASP 62 N -1.38 5.70 0.42 4.39 -1.08 -1.00 -4.87 116.67 118.85 1iar s ASP 62 Ca 0.35 0.61 0.20 0.00 -0.52 0.00 0.00 52.55 53.19 1iar s ASP 62 Cb 0.19 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.26 1iar s ASP 62 CO 0.27 -1.99 1.82 0.74 0.52 0.00 0.00 175.17 176.54 1iar h THR 63 N 6.72 0.60 0.00 1.71 2.02 -1.91 0.11 112.91 122.16 1iar h THR 63 Ca -0.28 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1iar h THR 63 Cb 1.14 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1iar h THR 63 CO 1.15 0.07 0.00 0.03 0.37 0.00 0.00 175.52 177.14 1iar h ARG 64 N 0.36 0.00 -0.00 6.66 3.08 -1.97 -1.58 114.38 120.93 1iar h ARG 64 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1iar h ARG 64 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1iar h ARG 64 CO -0.20 0.00 -0.37 0.00 -1.07 0.00 0.00 179.97 178.33 1iar n LEU 66 N -0.96 0.61 0.00 0.00 4.77 -0.59 -4.72 117.00 116.11 1iar n LEU 66 Ca 0.09 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1iar n LEU 66 Cb 0.35 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1iar n LEU 66 CO 0.30 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1iar n GLY 67 N 1.38 0.45 0.00 -0.72 0.00 -1.26 -3.21 105.19 101.83 1iar n GLY 67 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1iar n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iar n ALA 68 N 6.19 1.32 -2.53 4.61 0.00 -1.26 -5.01 120.51 123.83 1iar n ALA 68 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1iar n ALA 68 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1iar n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1iar s THR 69 N -1.18 2.21 0.25 0.00 -4.23 -1.26 -5.03 115.64 106.40 1iar s THR 69 Ca 0.00 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1iar s THR 69 Cb 0.00 -2.96 0.26 0.00 1.34 0.00 0.00 72.50 71.14 1iar s THR 69 CO 0.00 -0.03 1.93 0.00 -0.54 0.00 0.00 174.62 175.97 1iar h ALA 70 N 1.65 1.28 -0.80 3.99 0.00 -1.99 -1.06 119.26 122.33 1iar h ALA 70 Ca -0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1iar h ALA 70 Cb 1.25 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1iar h ALA 70 CO 0.74 0.66 0.44 1.96 0.00 0.00 0.00 179.25 183.06 1iar h GLN 71 N 1.35 1.12 -0.00 0.00 4.20 -1.96 -1.19 115.11 118.63 1iar h GLN 71 Ca 0.36 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.81 1iar h GLN 71 Cb -0.14 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.40 1iar h GLN 71 CO -0.08 0.82 -0.65 1.96 -0.67 0.00 0.00 178.83 180.21 1iar h GLN 72 N 1.11 0.01 -0.12 1.46 4.20 -1.75 -1.86 115.11 118.16 1iar h GLN 72 Ca 0.28 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 1iar h GLN 72 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1iar h GLN 72 CO -0.05 0.66 0.03 0.35 -0.67 0.00 0.00 178.83 179.15 1iar h PHE 73 N 0.00 0.20 0.00 2.96 3.57 -0.55 -2.31 116.94 120.82 1iar h PHE 73 Ca -0.01 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 1iar h PHE 73 Cb 1.15 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1iar h PHE 73 CO 0.00 0.35 -0.34 0.45 -2.23 0.00 0.00 178.31 176.53 1iar h HIS 74 N 0.00 0.00 -0.62 0.41 3.86 -1.20 -1.52 115.15 116.07 1iar h HIS 74 Ca 0.04 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 1iar h HIS 74 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1iar h HIS 74 CO 0.00 0.34 0.02 -0.09 0.86 0.00 0.00 177.93 179.06 1iar h ARG 75 N 0.00 1.09 -0.43 2.45 2.43 -1.07 0.23 114.38 119.09 1iar h ARG 75 Ca -0.00 -0.34 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 1iar h ARG 75 Cb 0.72 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1iar h ARG 75 CO 0.04 1.05 -0.13 1.25 -1.51 0.00 0.00 179.97 180.67 1iar h HIS 76 N 1.00 0.96 -0.31 2.20 2.76 -1.04 -0.29 115.15 120.42 1iar h HIS 76 Ca 0.18 -0.22 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1iar h HIS 76 Cb 0.55 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.26 1iar h HIS 76 CO 0.04 0.97 0.20 -0.22 -1.30 0.00 0.00 177.93 177.62 1iar h LYS 77 N 0.68 0.40 -0.39 5.26 3.64 -0.92 -0.87 116.57 124.37 1iar h LYS 77 Ca 0.11 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1iar h LYS 77 Cb 0.68 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1iar h LYS 77 CO 0.05 0.27 0.09 1.96 -2.27 0.00 0.00 179.45 179.55 1iar h GLN 78 N 0.41 0.62 -0.27 1.90 1.08 -0.45 -2.37 115.11 116.04 1iar h GLN 78 Ca 0.12 -0.15 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1iar h GLN 78 Cb -0.04 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.26 1iar h GLN 78 CO -0.03 0.65 -0.05 1.25 -0.95 0.00 0.00 178.83 179.70 1iar h LEU 79 N 0.48 -0.21 -0.79 1.46 5.85 -0.72 -0.98 115.31 120.40 1iar h LEU 79 Ca 0.12 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1iar h LEU 79 Cb 0.31 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1iar h LEU 79 CO 0.00 -0.07 0.51 0.40 -0.34 0.00 0.00 178.44 178.94 1iar h ILE 80 N 0.03 1.21 -0.37 4.05 1.08 -1.10 -1.91 117.51 120.49 1iar h ILE 80 Ca 0.13 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1iar h ILE 80 Cb 0.19 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 1iar h ILE 80 CO -0.26 0.21 0.24 -0.09 -0.69 0.00 0.00 178.15 177.55 1iar h ARG 81 N 1.07 0.50 0.00 2.37 2.43 -0.86 -2.65 114.38 117.24 1iar h ARG 81 Ca 0.29 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 1iar h ARG 81 Cb -0.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 1iar h ARG 81 CO -0.06 0.35 -0.52 0.74 -1.51 0.00 0.00 179.97 178.97 1iar h PHE 82 N 0.49 0.00 -0.21 2.20 0.04 -1.01 -2.87 116.94 115.59 1iar h PHE 82 Ca 0.13 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 1iar h PHE 82 Cb -0.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 1iar h PHE 82 CO -0.04 0.52 -0.34 -0.07 -0.60 0.00 0.00 178.31 177.78 1iar h LEU 83 N 0.00 0.45 -0.38 1.54 3.38 -1.11 -0.51 115.31 118.69 1iar h LEU 83 Ca -0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1iar h LEU 83 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1iar h LEU 83 CO 0.07 0.77 -0.13 0.11 0.09 0.00 0.00 178.44 179.34 1iar h LYS 84 N 0.38 0.76 -0.28 1.13 1.57 -1.33 -0.33 116.57 118.46 1iar h LYS 84 Ca 0.04 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1iar h LYS 84 Cb 0.77 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1iar h LYS 84 CO 0.06 0.92 0.17 0.00 -0.57 0.00 0.00 179.45 180.03 1iar h ARG 85 N 0.56 0.34 0.29 3.15 3.08 -1.35 -1.04 114.38 119.41 1iar h ARG 85 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1iar h ARG 85 Cb 0.66 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1iar h ARG 85 CO 0.04 0.23 -0.26 1.25 -1.07 0.00 0.00 179.97 180.16 1iar h LEU 86 N 0.35 -0.68 -0.10 3.04 5.85 -0.90 -2.35 115.31 120.52 1iar h LEU 86 Ca 0.11 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1iar h LEU 86 Cb -0.01 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1iar h LEU 86 CO -0.04 -0.38 -0.31 -0.78 -0.34 0.00 0.00 178.44 176.59 1iar h ASP 87 N -0.57 -0.95 -0.25 1.25 3.58 -0.86 -0.37 116.42 118.25 1iar h ASP 87 Ca -0.02 0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1iar h ASP 87 Cb 0.51 0.40 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 1iar h ASP 87 CO -0.03 -0.35 -0.06 0.03 -2.88 0.00 0.00 179.24 175.94 1iar h ARG 88 N -0.40 0.61 -0.18 0.28 3.08 -1.14 0.14 114.38 116.78 1iar h ARG 88 Ca 0.09 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.80 1iar h ARG 88 Cb 0.53 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.52 1iar h ARG 88 CO -0.33 0.68 -0.59 -0.91 -1.07 0.00 0.00 179.97 177.74 1iar h ASN 89 N 0.57 0.83 -0.62 7.04 2.35 -1.24 -1.23 115.58 123.26 1iar h ASN 89 Ca 0.11 -0.60 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 1iar h ASN 89 Cb 0.46 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1iar h ASN 89 CO 0.02 1.28 0.15 -0.07 -1.65 0.00 0.00 177.43 177.17 1iar h LEU 90 N 0.42 0.95 -0.65 1.61 3.38 -0.81 -0.01 115.31 120.20 1iar h LEU 90 Ca -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1iar h LEU 90 Cb 1.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1iar h LEU 90 CO 0.13 0.94 0.29 -0.25 0.09 0.00 0.00 178.44 179.64 1iar h TRP 91 N 0.92 0.97 -0.16 1.13 2.91 -0.97 -0.67 115.95 120.07 1iar h TRP 91 Ca 0.20 -0.06 -0.13 0.00 1.13 0.00 0.00 58.89 60.03 1iar h TRP 91 Cb 0.36 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1iar h TRP 91 CO 0.03 0.74 -0.45 0.78 -1.03 0.00 0.00 178.44 178.51 1iar h GLY 92 N 0.91 0.43 0.96 2.65 0.00 -1.00 -2.43 103.07 104.59 1iar h GLY 92 Ca 0.22 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1iar h GLY 92 CO -0.02 0.40 -0.01 -2.00 0.00 0.00 0.00 176.54 174.90 1iar h LEU 93 N 0.32 0.72 -1.20 3.11 5.85 -0.54 -2.95 115.31 120.62 1iar h LEU 93 Ca 0.02 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1iar h LEU 93 Cb 0.92 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1iar h LEU 93 CO 0.08 0.86 0.07 0.00 -0.34 0.00 0.00 178.44 179.10 1iar h ALA 94 N 0.89 1.35 -1.42 1.25 0.00 -1.04 -3.47 119.26 116.81 1iar h ALA 94 Ca 0.11 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 1iar h ALA 94 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1iar h ALA 94 CO 0.02 0.46 -0.29 0.41 0.00 0.00 0.00 179.25 179.85 1iar n GLY 95 N -0.93 0.23 3.43 0.00 0.00 -0.92 -4.89 105.19 102.11 1iar n GLY 95 Ca 0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1iar n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iar s LEU 96 N -3.25 2.49 0.00 0.99 1.43 -1.26 -5.00 118.68 114.08 1iar s LEU 96 Ca 0.00 -0.51 0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1iar s LEU 96 Cb 0.00 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.82 1iar s LEU 96 CO 0.00 0.24 0.86 0.59 0.23 0.00 0.00 176.35 178.27 1iar n ASN 97 N 1.47 1.77 -3.67 2.29 4.13 -1.26 -4.95 115.26 115.04 1iar n ASN 97 Ca -0.16 -1.39 -0.09 0.00 1.68 0.00 0.00 54.58 54.62 1iar n ASN 97 Cb 0.52 0.31 -0.09 0.00 -1.54 0.00 0.00 39.78 38.98 1iar n ASN 97 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1iar s SER 98 N -1.59 -0.65 -0.50 6.41 0.15 -1.26 -5.09 113.70 111.17 1iar s SER 98 Ca 0.14 1.10 0.07 0.00 0.70 0.00 0.00 55.95 57.96 1iar s SER 98 Cb 0.12 1.03 0.19 0.00 -1.71 0.00 0.00 66.02 65.65 1iar s SER 98 CO 0.31 -0.21 0.67 0.00 1.20 0.00 0.00 173.24 175.21 1iar s PRO 100 N 0.77 4.15 -0.18 0.00 0.04 -1.26 -4.74 135.00 133.78 1iar s PRO 100 Ca 0.30 2.53 -0.20 0.00 0.04 0.00 0.00 61.00 63.67 1iar s PRO 100 Cb 0.00 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 1iar s PRO 100 CO -0.07 -0.74 0.57 0.08 0.04 0.00 0.00 177.00 176.89 1iar s VAL 101 N 1.61 5.07 0.00 -0.36 1.01 -1.26 -4.94 120.40 121.54 1iar s VAL 101 Ca 0.75 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1iar s VAL 101 Cb -0.47 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1iar s VAL 101 CO 0.33 0.16 0.00 0.29 0.00 0.00 0.00 175.10 175.88 1iar n LYS 102 N 4.75 3.83 -1.59 2.72 4.01 -1.26 -5.06 118.16 125.56 1iar n LYS 102 Ca -0.03 0.00 -0.47 0.00 -0.51 0.00 0.00 58.31 57.30 1iar n LYS 102 Cb 0.50 -0.66 -0.03 0.00 -0.51 0.00 0.00 35.03 34.33 1iar n LYS 102 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1iar n GLU 103 N -1.09 1.28 -0.03 1.97 4.07 -1.26 -4.94 120.64 120.64 1iar n GLU 103 Ca 0.00 0.45 -0.21 0.00 -0.06 0.00 0.00 57.16 57.34 1iar n GLU 103 Cb 0.00 -1.91 -0.13 0.00 -0.06 0.00 0.00 31.44 29.34 1iar n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1iar n ALA 104 N 1.03 0.96 -1.47 4.31 0.00 -1.26 -4.87 120.51 119.20 1iar n ALA 104 Ca 0.13 -0.66 -0.54 0.00 0.00 0.00 0.00 53.44 52.36 1iar n ALA 104 Cb 0.28 -0.56 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1iar n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iar n ASN 105 N -3.60 -0.28 -4.84 0.00 4.13 -1.26 -4.82 115.26 104.58 1iar n ASN 105 Ca -0.35 1.15 -0.22 0.00 1.68 0.00 0.00 54.58 56.84 1iar n ASN 105 Cb 0.99 -0.96 -0.04 0.00 -1.54 0.00 0.00 39.78 38.23 1iar n ASN 105 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1iar s GLN 106 N -0.36 2.87 0.05 3.52 -1.52 -1.26 -0.21 119.66 122.74 1iar s GLN 106 Ca 0.80 -1.13 -0.16 0.00 -1.95 0.00 0.00 55.36 52.92 1iar s GLN 106 Cb -1.11 -2.54 0.03 0.00 -0.22 0.00 0.00 33.01 29.16 1iar s GLN 106 CO 0.56 0.28 0.36 0.45 -0.25 0.00 0.00 175.29 176.70 1iar s SER 107 N -3.91 -0.21 0.41 5.90 0.15 0.16 -4.58 113.70 111.62 1iar s SER 107 Ca 0.36 -0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.67 1iar s SER 107 Cb -0.07 0.40 -0.09 0.00 -1.71 0.00 0.00 66.02 64.54 1iar s SER 107 CO 0.26 -0.65 1.02 -0.89 1.20 0.00 0.00 173.24 174.17 1iar s THR 108 N -2.59 3.91 0.32 6.45 2.01 -1.26 0.72 115.64 125.20 1iar s THR 108 Ca -0.05 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1iar s THR 108 Cb -0.01 -3.67 0.28 0.00 0.01 0.00 0.00 72.50 69.11 1iar s THR 108 CO -0.03 -0.07 1.94 0.25 -0.69 0.00 0.00 174.62 176.02 1iar h LEU 109 N 2.33 0.85 -0.86 4.42 5.85 -1.10 -1.64 115.31 125.15 1iar h LEU 109 Ca -0.48 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1iar h LEU 109 Cb 1.21 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1iar h LEU 109 CO 0.62 0.57 0.54 -0.08 -0.34 0.00 0.00 178.44 179.74 1iar h GLU 110 N 0.98 1.16 -0.10 1.25 4.81 -1.65 0.63 114.58 121.65 1iar h GLU 110 Ca 0.35 -0.09 -0.20 0.00 -0.13 0.00 0.00 59.36 59.28 1iar h GLU 110 Cb 0.13 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1iar h GLU 110 CO -0.12 0.79 -0.77 -0.91 -0.73 0.00 0.00 179.01 177.28 1iar h ASN 111 N 1.18 0.67 0.25 1.04 2.35 -1.78 -1.25 115.58 118.04 1iar h ASN 111 Ca 0.31 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1iar h ASN 111 Cb -0.08 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1iar h ASN 111 CO -0.06 1.22 -0.12 0.15 -1.65 0.00 0.00 177.43 176.97 1iar h PHE 112 N 0.38 -0.31 -0.46 1.19 3.04 -1.02 0.14 116.94 119.90 1iar h PHE 112 Ca -0.04 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.86 1iar h PHE 112 Cb 1.37 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.96 1iar h PHE 112 CO 0.06 -0.18 0.11 -0.07 -2.02 0.00 0.00 178.31 176.21 1iar h LEU 113 N -0.34 0.63 -0.23 0.59 3.38 -0.86 -0.80 115.31 117.69 1iar h LEU 113 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1iar h LEU 113 Cb 0.26 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1iar h LEU 113 CO 0.06 0.63 0.10 -0.08 0.09 0.00 0.00 178.44 179.23 1iar h GLU 114 N 0.67 0.33 -0.34 1.13 4.57 -0.83 -0.44 114.58 119.67 1iar h GLU 114 Ca 0.15 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 1iar h GLU 114 Cb 0.25 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1iar h GLU 114 CO -0.00 0.37 -0.12 0.00 -1.18 0.00 0.00 179.01 178.08 1iar h ARG 115 N 0.22 0.59 -0.55 1.92 3.08 -0.32 -2.20 114.38 117.13 1iar h ARG 115 Ca 0.08 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 1iar h ARG 115 Cb 0.15 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1iar h ARG 115 CO -0.01 0.70 -0.08 1.25 -1.07 0.00 0.00 179.97 180.76 1iar h LEU 116 N 0.55 1.00 -1.05 3.04 5.85 -0.94 -2.64 115.31 121.12 1iar h LEU 116 Ca 0.10 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1iar h LEU 116 Cb 0.53 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1iar h LEU 116 CO 0.03 1.10 0.50 0.50 -0.34 0.00 0.00 178.44 180.23 1iar h LYS 117 N 0.90 1.16 -0.27 1.25 3.64 -0.62 0.20 116.57 122.83 1iar h LYS 117 Ca 0.15 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1iar h LYS 117 Cb 0.64 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1iar h LYS 117 CO 0.04 0.82 0.11 1.15 -2.27 0.00 0.00 179.45 179.31 1iar h THR 118 N 1.18 1.17 -0.69 1.00 2.02 -1.24 0.12 112.91 116.48 1iar h THR 118 Ca 0.30 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1iar h THR 118 Cb -0.03 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1iar h THR 118 CO -0.06 0.18 0.23 0.40 0.37 0.00 0.00 175.52 176.64 1iar h ILE 119 N 0.30 1.25 0.00 3.11 2.04 -1.04 -0.80 117.51 122.37 1iar h ILE 119 Ca 0.09 -0.85 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 1iar h ILE 119 Cb 0.17 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1iar h ILE 119 CO -0.01 0.33 -0.52 0.24 0.00 0.00 0.00 178.15 178.19 1iar h MET 120 N 1.00 0.00 -0.41 2.37 2.86 -0.48 -1.77 114.93 118.50 1iar h MET 120 Ca 0.22 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 1iar h MET 120 Cb 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1iar h MET 120 CO -0.01 0.52 -0.07 -0.09 1.06 0.00 0.00 176.91 178.32 1iar h ARG 121 N 0.00 0.77 -0.39 1.72 2.43 -0.16 -0.08 114.38 118.67 1iar h ARG 121 Ca -0.01 -0.28 -0.14 0.00 -0.81 0.00 0.00 59.98 58.74 1iar h ARG 121 Cb 0.96 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1iar h ARG 121 CO 0.07 0.89 -0.31 0.93 -1.51 0.00 0.00 179.97 180.03 1iar h GLU 122 N 0.59 0.87 0.26 0.20 5.08 -0.97 -1.42 114.58 119.18 1iar h GLU 122 Ca 0.11 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1iar h GLU 122 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1iar h GLU 122 CO 0.04 1.05 -0.13 0.87 -1.00 0.00 0.00 179.01 179.84 1iar h LYS 123 N 0.73 -0.34 -0.51 2.33 1.79 -1.23 -2.80 116.57 116.54 1iar h LYS 123 Ca 0.08 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.65 1iar h LYS 123 Cb 0.88 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.54 1iar h LYS 123 CO 0.08 -0.20 0.15 -0.92 -1.08 0.00 0.00 179.45 177.48 1iar h TYR 124 N -0.38 0.27 0.00 -1.35 3.20 -0.93 0.21 116.97 117.98 1iar h TYR 124 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1iar h TYR 124 Cb 0.29 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1iar h TYR 124 CO -0.05 0.06 0.04 0.77 -1.64 0.00 0.00 178.16 177.34 1iar h SER 125 N 0.32 0.00 1.26 -2.11 0.02 -1.09 -1.79 113.55 110.15 1iar h SER 125 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1iar h SER 125 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1iar h SER 125 CO -0.28 0.00 0.00 0.11 -1.14 0.00 0.00 176.83 175.52 1iar h LYS 126 N 0.00 0.00 -0.08 3.45 1.57 -0.31 -3.26 116.57 117.94 1iar h LYS 126 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1iar h LYS 126 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1iar h LYS 126 CO 0.00 0.00 -0.34 0.00 -0.57 0.00 0.00 179.45 178.54 1iar n SER 128 N -1.14 -0.89 0.00 0.00 3.41 -1.25 -4.73 113.62 109.01 1iar n SER 128 Ca 0.22 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1iar n SER 128 Cb 0.76 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1iar n SER 128 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68