#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iay n ALA 2 N 0.00 0.00 -2.14 4.61 0.00 -1.26 -5.01 120.51 116.71 2iay n ALA 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2iay n ALA 2 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2iay n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2iay s TYR 3 N 0.00 3.85 0.33 0.00 2.02 -1.26 -4.78 117.35 117.51 2iay s TYR 3 Ca 0.00 1.68 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 2iay s TYR 3 Cb 0.00 -2.89 -0.05 0.00 -0.40 0.00 0.00 41.96 38.62 2iay s TYR 3 CO 0.00 0.36 0.10 0.95 -1.57 0.00 0.00 175.55 175.38 2iay s THR 4 N -0.54 0.80 -0.00 -0.71 -4.23 -0.43 -4.76 115.64 105.77 2iay s THR 4 Ca 0.40 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.99 2iay s THR 4 Cb -0.23 -2.60 -0.23 0.00 1.34 0.00 0.00 72.50 70.78 2iay s THR 4 CO 0.27 0.00 0.83 0.74 -0.54 0.00 0.00 174.62 175.92 2iay h THR 5 N 2.08 1.09 -3.95 3.99 2.02 -1.85 0.43 112.91 116.72 2iay h THR 5 Ca -0.38 -2.88 -0.46 0.00 0.77 0.00 0.00 66.41 63.46 2iay h THR 5 Cb 1.25 2.57 -0.22 0.00 -1.74 0.00 0.00 68.15 70.02 2iay h THR 5 CO 0.62 0.67 -0.80 0.42 0.37 0.00 0.00 175.52 176.81 2iay s THR 6 N -2.63 1.32 -0.01 3.16 -4.23 -1.26 -0.99 115.64 111.00 2iay s THR 6 Ca -0.05 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2iay s THR 6 Cb 0.08 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.70 2iay s THR 6 CO 0.82 -0.16 -0.01 -0.69 -0.54 0.00 0.00 174.62 174.05 2iay s VAL 7 N -1.22 0.15 -0.24 2.29 1.01 0.16 -4.98 120.40 117.58 2iay s VAL 7 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2iay s VAL 7 Cb -0.10 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2iay s VAL 7 CO 0.03 0.08 -0.09 -0.75 0.00 0.00 0.00 175.10 174.37 2iay s LYS 8 N 0.33 2.83 0.63 2.72 2.20 -1.26 -0.68 119.74 126.50 2iay s LYS 8 Ca -0.03 -0.97 -0.18 0.00 -0.36 0.00 0.00 55.97 54.42 2iay s LYS 8 Cb -0.05 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.33 2iay s LYS 8 CO -0.01 -0.38 1.28 -0.51 -0.36 0.00 0.00 175.35 175.37 2iay s LEU 9 N 1.31 3.62 0.06 5.43 1.43 -1.26 -4.87 118.68 124.39 2iay s LEU 9 Ca 0.00 2.58 -0.34 0.00 -1.03 0.00 0.00 54.13 55.33 2iay s LEU 9 Cb -0.16 -4.59 -0.13 0.00 0.03 0.00 0.00 46.19 41.33 2iay s LEU 9 CO -0.06 -1.87 1.66 0.47 0.23 0.00 0.00 176.35 176.79 2iay n ASP 10 N -1.76 3.06 0.00 2.29 8.00 -1.26 -0.99 116.55 125.89 2iay n ASP 10 Ca 0.15 1.05 0.00 0.00 0.71 0.00 0.00 54.79 56.70 2iay n ASP 10 Cb 0.48 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2iay n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iay n GLY 11 N 3.69 2.65 3.81 0.44 0.00 -1.26 -4.13 105.19 110.39 2iay n GLY 11 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2iay n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2iay s ASP 12 N -3.34 5.91 0.03 1.61 -1.08 -0.16 -4.45 116.67 115.19 2iay s ASP 12 Ca 0.00 1.74 0.23 0.00 -0.52 0.00 0.00 52.55 54.00 2iay s ASP 12 Cb 0.00 -2.52 0.05 0.00 -1.46 0.00 0.00 42.92 38.98 2iay s ASP 12 CO 0.00 -1.08 1.04 0.35 0.52 0.00 0.00 175.17 176.00 2iay n THR 13 N -2.06 0.11 -3.96 1.71 -2.24 -1.26 -4.88 114.28 101.70 2iay n THR 13 Ca 0.08 -0.18 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 2iay n THR 13 Cb 0.53 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 2iay n THR 13 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iay s LYS 14 N -3.15 3.30 0.01 -0.78 1.02 -1.26 -5.11 119.74 113.77 2iay s LYS 14 Ca 0.05 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.62 2iay s LYS 14 Cb 0.15 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2iay s LYS 14 CO 0.80 0.61 -0.18 0.95 -0.92 0.00 0.00 175.35 176.61 2iay s THR 15 N -1.44 2.76 -0.09 2.17 -4.23 -1.26 -4.44 115.64 109.11 2iay s THR 15 Ca 0.32 -1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 59.77 2iay s THR 15 Cb -0.13 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 2iay s THR 15 CO 0.25 0.45 -0.00 -0.31 -0.54 0.00 0.00 174.62 174.46 2iay s TYR 16 N -0.82 3.14 -0.06 3.99 1.51 0.14 -3.95 117.35 121.30 2iay s TYR 16 Ca 0.13 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.40 2iay s TYR 16 Cb -0.10 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2iay s TYR 16 CO 0.03 0.44 -0.19 0.99 -1.11 0.00 0.00 175.55 175.70 2iay s THR 17 N -0.82 2.58 0.13 -0.71 2.01 0.19 -0.66 115.64 118.35 2iay s THR 17 Ca 0.12 -0.89 -0.31 0.00 0.31 0.00 0.00 61.69 60.93 2iay s THR 17 Cb -0.11 -1.98 -0.07 0.00 0.01 0.00 0.00 72.50 70.34 2iay s THR 17 CO 0.02 0.57 1.28 -0.22 -0.69 0.00 0.00 174.62 175.59 2iay s LEU 18 N -0.39 4.39 0.26 4.42 2.96 -0.16 -0.74 118.68 129.43 2iay s LEU 18 Ca 0.03 2.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.88 2iay s LEU 18 Cb -0.12 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.87 2iay s LEU 18 CO 0.02 -0.52 1.54 -0.55 -1.32 0.00 0.00 176.35 175.52 2iay s SER 19 N 0.75 6.50 0.00 3.68 0.15 -0.15 -4.86 113.70 119.77 2iay s SER 19 Ca 0.59 2.81 0.16 0.00 0.70 0.00 0.00 55.95 60.20 2iay s SER 19 Cb -0.34 -2.62 0.76 0.00 -1.71 0.00 0.00 66.02 62.11 2iay s SER 19 CO 0.33 -0.83 1.46 -0.81 1.20 0.00 0.00 173.24 174.59 2iay n PRO 20 N 2.51 0.16 -0.22 5.44 -0.04 -1.26 -2.30 135.00 139.28 2iay n PRO 20 Ca 0.09 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.80 2iay n PRO 20 Cb 0.38 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.53 2iay n PRO 20 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2iay n THR 21 N -1.34 2.05 -1.75 0.52 -2.24 -1.26 -5.06 114.28 105.19 2iay n THR 21 Ca 0.06 -2.15 -0.41 0.00 -2.27 0.00 0.00 64.05 59.28 2iay n THR 21 Cb 0.14 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2iay n THR 21 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2iay n VAL 22 N -1.10 2.17 -5.21 2.28 3.14 -0.97 -4.99 118.33 113.64 2iay n VAL 22 Ca 0.18 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.75 2iay n VAL 22 Cb 0.74 -1.83 -0.16 0.00 -1.06 0.00 0.00 33.84 31.53 2iay n VAL 22 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2iay s LYS 23 N -2.12 2.36 0.19 1.45 1.02 -1.26 -5.03 119.74 116.36 2iay s LYS 23 Ca 0.56 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 2iay s LYS 23 Cb -0.50 -2.15 0.16 0.00 -0.52 0.00 0.00 37.83 34.82 2iay s LYS 23 CO 0.62 0.50 1.61 -0.22 -0.92 0.00 0.00 175.35 176.94 2iay h LYS 24 N 5.70 -0.11 -0.02 1.68 3.64 -2.00 -0.37 116.57 125.10 2iay h LYS 24 Ca -0.39 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.88 2iay h LYS 24 Cb 1.15 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 2iay h LYS 24 CO 0.48 -0.07 -0.54 1.88 -2.27 0.00 0.00 179.45 178.93 2iay h TYR 25 N -0.11 0.06 -0.32 1.91 0.05 -2.02 -2.68 116.97 113.85 2iay h TYR 25 Ca 0.25 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.91 2iay h TYR 25 Cb 0.50 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2iay h TYR 25 CO -0.55 0.57 -0.16 1.15 -1.05 0.00 0.00 178.16 178.12 2iay h THR 26 N 0.03 1.29 0.00 -2.88 2.02 -1.75 -0.67 112.91 110.96 2iay h THR 26 Ca -0.00 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2iay h THR 26 Cb 0.96 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2iay h THR 26 CO 0.07 0.41 0.00 0.18 0.37 0.00 0.00 175.52 176.55 2iay n LEU 27 N -4.36 0.00 0.00 2.58 4.77 -0.23 -1.37 117.00 118.40 2iay n LEU 27 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2iay n LEU 27 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2iay n LEU 27 CO 0.43 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.82 2iay n ASP 29 N 0.32 0.00 -0.69 -1.43 2.03 -0.26 -1.45 116.55 115.07 2iay n ASP 29 Ca 0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 2iay n ASP 29 Cb 0.00 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 40.73 2iay n ASP 29 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2iay n LEU 30 N 0.00 2.07 0.00 -2.67 7.99 -0.47 -4.93 117.00 118.99 2iay n LEU 30 Ca 0.00 -0.87 0.00 0.00 -0.01 0.00 0.00 56.01 55.13 2iay n LEU 30 Cb 0.00 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 2iay n LEU 30 CO 0.00 0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.93 2iay n GLY 31 N 1.21 0.90 3.78 -0.72 0.00 -1.01 -5.08 105.19 104.27 2iay n GLY 31 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2iay n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2iay s PHE 32 N -2.00 3.10 -0.05 1.61 0.40 -0.53 -4.81 117.98 115.71 2iay s PHE 32 Ca 0.00 1.59 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 2iay s PHE 32 Cb 0.00 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.26 2iay s PHE 32 CO 0.00 -1.04 -0.24 0.14 0.70 0.00 0.00 175.22 174.78 2iay s VAL 33 N -1.57 1.99 -0.14 -0.44 -7.23 -0.18 -4.82 120.40 108.01 2iay s VAL 33 Ca 0.59 -1.04 -0.25 0.00 -1.81 0.00 0.00 61.98 59.47 2iay s VAL 33 Cb -0.26 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 2iay s VAL 33 CO 0.32 0.56 0.82 -0.75 -0.31 0.00 0.00 175.10 175.73 2iay s LYS 34 N -0.22 4.34 0.83 4.82 2.20 -1.26 -1.03 119.74 129.42 2iay s LYS 34 Ca -0.01 1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.51 2iay s LYS 34 Cb -0.13 -3.54 0.13 0.00 -1.51 0.00 0.00 37.83 32.78 2iay s LYS 34 CO 0.03 -0.23 1.17 0.20 -0.36 0.00 0.00 175.35 176.15 2iay s GLY 35 N 1.08 1.72 0.44 5.54 0.00 0.08 -4.94 107.32 111.24 2iay s GLY 35 Ca 0.39 -1.11 0.11 0.00 0.00 0.00 0.00 44.72 44.11 2iay s GLY 35 CO 0.15 -0.51 2.05 3.21 0.00 0.00 0.00 173.10 177.99 2iay h ARG 36 N -1.09 0.26 0.00 2.90 3.08 -1.97 -0.74 114.38 116.82 2iay h ARG 36 Ca -0.43 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2iay h ARG 36 Cb 1.28 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.28 2iay h ARG 36 CO 0.49 0.23 0.00 0.66 -1.07 0.00 0.00 179.97 180.29 2iay h SER 37 N 0.26 0.00 0.00 7.04 4.64 -2.03 -3.46 113.55 120.01 2iay h SER 37 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2iay h SER 37 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2iay h SER 37 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 2iay n GLY 38 N -0.36 1.14 3.79 -0.77 0.00 -0.28 -4.82 105.19 103.87 2iay n GLY 38 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2iay n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iay s ALA 39 N -2.32 2.53 -0.12 4.61 0.00 -1.26 -4.16 121.76 121.04 2iay s ALA 39 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2iay s ALA 39 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 2iay s ALA 39 CO 0.00 -1.30 -0.16 -0.06 0.00 0.00 0.00 175.76 174.25 2iay s PHE 40 N -2.71 2.75 0.13 0.00 0.40 -0.26 -0.74 117.98 117.55 2iay s PHE 40 Ca 0.62 -0.75 0.10 0.00 -0.60 0.00 0.00 56.93 56.30 2iay s PHE 40 Cb -0.17 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 2iay s PHE 40 CO 0.48 -0.27 -0.24 -1.12 0.70 0.00 0.00 175.22 174.77 2iay s SER 41 N 0.36 3.01 -0.10 1.36 0.01 -0.20 -0.64 113.70 117.51 2iay s SER 41 Ca -0.13 -0.74 -0.08 0.00 1.31 0.00 0.00 55.95 56.31 2iay s SER 41 Cb -0.16 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.91 2iay s SER 41 CO 0.06 0.12 0.25 0.12 0.41 0.00 0.00 173.24 174.20 2iay s PHE 42 N -1.21 -0.30 -0.05 2.43 2.19 -1.26 -1.01 117.98 118.78 2iay s PHE 42 Ca 0.12 0.71 -0.04 0.00 0.33 0.00 0.00 56.93 58.05 2iay s PHE 42 Cb -0.10 0.09 0.02 0.00 -1.31 0.00 0.00 43.02 41.72 2iay s PHE 42 CO 0.06 -0.16 0.13 -2.00 1.83 0.00 0.00 175.22 175.07 2iay s GLU 43 N 0.44 0.13 -0.01 10.12 2.12 -1.26 -4.35 118.70 125.89 2iay s GLU 43 Ca -0.02 0.22 0.01 0.00 0.36 0.00 0.00 54.97 55.54 2iay s GLU 43 Cb -0.04 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.36 2iay s GLU 43 CO -0.02 -0.06 -0.02 1.03 -0.54 0.00 0.00 175.26 175.65 2iay s ARG 44 N 0.36 0.23 0.47 4.30 1.81 -0.24 -4.99 118.95 120.89 2iay s ARG 44 Ca -0.02 -0.06 -0.23 0.00 -1.72 0.00 0.00 55.73 53.70 2iay s ARG 44 Cb -0.04 -0.26 -0.07 0.00 -0.45 0.00 0.00 34.95 34.13 2iay s ARG 44 CO -0.01 0.02 1.22 -1.12 -0.68 0.00 0.00 175.30 174.72 2iay s SER 45 N 0.17 5.99 -0.08 0.23 0.01 -1.26 -0.74 113.70 118.02 2iay s SER 45 Ca -0.01 2.44 0.03 0.00 1.31 0.00 0.00 55.95 59.72 2iay s SER 45 Cb -0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2iay s SER 45 CO -0.00 -1.05 -0.19 -0.76 0.41 0.00 0.00 173.24 171.65 2iay s LEU 46 N -3.06 1.90 -1.16 2.44 1.43 0.23 -4.86 118.68 115.59 2iay s LEU 46 Ca 0.64 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.12 2iay s LEU 46 Cb -0.32 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 2iay s LEU 46 CO 0.39 0.12 0.76 -0.67 0.23 0.00 0.00 176.35 177.18 2iay n ASP 47 N 3.56 -4.82 -4.81 2.29 2.03 -1.26 -1.82 116.55 111.73 2iay n ASP 47 Ca -0.20 -1.01 -0.33 0.00 0.52 0.00 0.00 54.79 53.77 2iay n ASP 47 Cb 0.52 -3.38 -0.00 0.00 -0.72 0.00 0.00 41.12 37.55 2iay n ASP 47 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2iay s PRO 48 N -6.02 3.45 0.13 -0.67 0.04 -1.26 -2.58 135.00 128.08 2iay s PRO 48 Ca 0.43 1.20 0.22 0.00 0.04 0.00 0.00 61.00 62.89 2iay s PRO 48 Cb -0.15 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2iay s PRO 48 CO 0.86 -0.70 0.87 0.25 0.04 0.00 0.00 177.00 178.32 2iay n THR 49 N -1.84 0.42 -3.81 1.26 -2.24 -0.71 -4.91 114.28 102.45 2iay n THR 49 Ca 0.09 -0.53 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 2iay n THR 49 Cb 0.53 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 2iay n THR 49 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2iay s SER 50 N -5.07 -0.15 0.21 3.42 1.04 -1.26 -5.06 113.70 106.84 2iay s SER 50 Ca -0.03 -0.60 -0.32 0.00 0.48 0.00 0.00 55.95 55.48 2iay s SER 50 Cb 0.11 0.61 -0.12 0.00 0.10 0.00 0.00 66.02 66.71 2iay s SER 50 CO 0.83 -1.14 1.66 -2.65 0.98 0.00 0.00 173.24 172.92 2iay n PRO 51 N -0.51 2.61 -1.74 4.02 -0.02 -1.26 -1.64 135.00 136.46 2iay n PRO 51 Ca -0.05 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.22 2iay n PRO 51 Cb 0.60 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 2iay n PRO 51 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2iay n TYR 52 N 3.49 -0.26 -3.22 6.00 4.01 -1.26 -4.91 117.16 121.02 2iay n TYR 52 Ca 0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 2iay n TYR 52 Cb 0.34 -2.82 -0.06 0.00 -0.31 0.00 0.00 39.34 36.49 2iay n TYR 52 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2iay n GLN 53 N -2.52 2.11 -2.44 -0.72 1.13 -0.65 -5.07 117.38 109.21 2iay n GLN 53 Ca -0.16 -4.23 -0.37 0.00 -1.94 0.00 0.00 57.00 50.29 2iay n GLN 53 Cb 0.54 -1.95 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 2iay n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2iay s ALA 54 N -2.45 3.12 0.16 -1.58 0.00 -1.26 -1.73 121.76 118.01 2iay s ALA 54 Ca 0.41 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 2iay s ALA 54 Cb 0.21 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 20.03 2iay s ALA 54 CO -0.07 -0.34 1.56 0.00 0.00 0.00 0.00 175.76 176.91 2iay h ALA 55 N 2.61 0.69 -2.68 0.00 0.00 -1.09 -3.24 119.26 115.55 2iay h ALA 55 Ca -0.48 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 53.94 2iay h ALA 55 Cb 1.22 -0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 2iay h ALA 55 CO 0.63 0.64 -0.33 -0.06 0.00 0.00 0.00 179.25 180.13 2iay s PHE 56 N -4.75 0.54 0.04 0.00 0.08 -1.03 -2.39 117.98 110.46 2iay s PHE 56 Ca -0.12 -0.88 0.05 0.00 0.12 0.00 0.00 56.93 56.10 2iay s PHE 56 Cb 0.12 -0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.46 2iay s PHE 56 CO 0.86 -0.78 -0.13 0.15 -0.10 0.00 0.00 175.22 175.22 2iay s LYS 57 N -4.02 0.87 -0.23 0.44 1.02 0.23 -0.60 119.74 117.45 2iay s LYS 57 Ca 0.23 -0.76 -0.10 0.00 0.02 0.00 0.00 55.97 55.36 2iay s LYS 57 Cb 0.03 -0.86 -0.05 0.00 -0.52 0.00 0.00 37.83 36.43 2iay s LYS 57 CO 0.05 0.21 0.15 -1.17 -0.92 0.00 0.00 175.35 173.67 2iay s LEU 58 N -1.20 4.12 0.44 3.17 2.96 0.08 -1.27 118.68 126.98 2iay s LEU 58 Ca 0.00 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2iay s LEU 58 Cb -0.08 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2iay s LEU 58 CO 0.01 0.10 0.05 -0.54 -1.32 0.00 0.00 176.35 174.64 2iay s LYS 59 N 0.87 2.01 -0.29 1.98 1.02 -0.57 -1.07 119.74 123.68 2iay s LYS 59 Ca 0.07 -2.22 -0.19 0.00 0.02 0.00 0.00 55.97 53.65 2iay s LYS 59 Cb -0.13 -1.20 0.17 0.00 -0.52 0.00 0.00 37.83 36.15 2iay s LYS 59 CO 0.03 -0.32 1.18 0.99 -0.92 0.00 0.00 175.35 176.32 2iay s THR 61 N -3.00 0.00 -0.13 2.17 2.01 -0.22 -1.04 115.64 115.43 2iay s THR 61 Ca 0.20 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 2iay s THR 61 Cb 0.04 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2iay s THR 61 CO 0.10 0.00 0.01 -0.69 -0.69 0.00 0.00 174.62 173.36 2iay s VAL 62 N 0.77 4.38 0.95 3.82 1.01 0.19 -0.82 120.40 130.70 2iay s VAL 62 Ca -0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 2iay s VAL 62 Cb -0.04 -2.90 0.16 0.00 0.00 0.00 0.00 36.38 33.61 2iay s VAL 62 CO -0.12 0.54 1.09 0.54 0.00 0.00 0.00 175.10 177.15 2iay s ASN 63 N -0.27 2.90 0.48 3.32 2.20 -0.32 -1.11 114.94 122.16 2iay s ASN 63 Ca 0.06 1.66 0.20 0.00 -0.94 0.00 0.00 52.86 53.84 2iay s ASN 63 Cb -0.12 -2.30 1.22 0.00 -2.00 0.00 0.00 41.25 38.04 2iay s ASN 63 CO 0.02 -3.02 2.04 0.00 -2.94 0.00 0.00 177.10 173.20 2iay h ALA 64 N -1.81 1.55 -0.00 3.54 0.00 -1.88 -1.62 119.26 119.04 2iay h ALA 64 Ca -0.50 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2iay h ALA 64 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2iay h ALA 64 CO 0.51 0.18 -0.09 -0.25 0.00 0.00 0.00 179.25 179.60 2iay n ASP 65 N -4.07 0.24 -0.97 0.00 9.92 -1.26 -4.88 116.55 115.54 2iay n ASP 65 Ca -0.02 -0.24 -0.12 0.00 -0.53 0.00 0.00 54.79 53.88 2iay n ASP 65 Cb 0.23 -0.18 -0.04 0.00 -0.64 0.00 0.00 41.12 40.48 2iay n ASP 65 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2iay n LEU 66 N -1.19 -0.97 -0.09 0.64 4.77 -0.61 -4.89 117.00 114.65 2iay n LEU 66 Ca 0.13 0.23 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2iay n LEU 66 Cb 0.28 -1.82 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 2iay n LEU 66 CO 0.25 -0.52 0.21 0.35 -1.33 0.00 0.00 177.39 176.35 2iay n THR 67 N -2.91 0.00 -3.66 -5.08 -2.24 -1.26 -4.82 114.28 94.30 2iay n THR 67 Ca -0.12 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.08 2iay n THR 67 Cb 0.42 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 2iay n THR 67 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2iay s GLY 68 N -0.58 -0.22 0.21 3.38 0.00 -1.26 -4.72 107.32 104.14 2iay s GLY 68 Ca 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.58 2iay s GLY 68 CO 0.07 -0.32 0.27 -0.11 0.00 0.00 0.00 173.10 173.01 2iay s PHE 69 N -3.82 0.80 0.35 1.90 -0.71 0.14 -1.17 117.98 115.47 2iay s PHE 69 Ca 0.04 -1.09 0.04 0.00 -1.04 0.00 0.00 56.93 54.89 2iay s PHE 69 Cb 0.01 -0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2iay s PHE 69 CO -0.10 -0.78 0.16 0.15 -1.34 0.00 0.00 175.22 173.31 2iay s LYS 70 N -4.09 1.75 0.00 1.99 1.02 0.00 -1.32 119.74 119.10 2iay s LYS 70 Ca 0.31 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 54.27 2iay s LYS 70 Cb 0.04 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2iay s LYS 70 CO 0.10 -0.47 0.00 -2.37 -0.92 0.00 0.00 175.35 171.69 2iay n THR 72 N -0.73 0.00 -4.39 2.17 5.66 -0.21 -1.05 114.28 115.74 2iay n THR 72 Ca -0.01 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.65 2iay n THR 72 Cb 0.65 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.31 2iay n THR 72 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2iay s THR 73 N -2.00 4.00 0.28 1.09 -4.23 -1.26 -1.51 115.64 112.00 2iay s THR 73 Ca 0.00 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 2iay s THR 73 Cb 0.00 -2.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 2iay s THR 73 CO 0.00 0.51 0.01 0.68 -0.54 0.00 0.00 174.62 175.28 2iay s VAL 74 N 0.13 1.20 1.13 2.29 -7.23 -0.39 -1.39 120.40 116.14 2iay s VAL 74 Ca -0.00 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 57.94 2iay s VAL 74 Cb -0.13 -2.54 0.26 0.00 0.56 0.00 0.00 36.38 34.53 2iay s VAL 74 CO 0.03 -0.19 1.18 0.42 -0.31 0.00 0.00 175.10 176.23 2iay s THR 75 N -3.30 1.71 -0.16 5.32 -4.23 0.26 -0.60 115.64 114.63 2iay s THR 75 Ca 0.32 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.06 2iay s THR 75 Cb 0.06 -2.66 0.23 0.00 1.34 0.00 0.00 72.50 71.48 2iay s THR 75 CO 0.12 0.00 1.72 1.23 -0.54 0.00 0.00 174.62 177.14 2iay h GLY 76 N -2.31 0.00 1.80 3.99 0.00 -1.50 -0.83 103.07 104.22 2iay h GLY 76 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2iay h GLY 76 CO 0.34 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.04 2iay n ASN 77 N -2.32 0.00 0.00 0.19 0.23 -1.26 -4.75 115.26 107.35 2iay n ASN 77 Ca -0.01 0.25 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 2iay n ASN 77 Cb 0.05 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 2iay n ASN 77 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2iay n GLY 78 N 0.78 0.86 1.26 4.83 0.00 -0.32 -4.84 105.19 107.76 2iay n GLY 78 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2iay n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2iay n VAL 79 N -2.27 0.11 -1.99 1.61 0.31 -1.26 -4.94 118.33 109.90 2iay n VAL 79 Ca 0.00 0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.94 2iay n VAL 79 Cb 0.00 -1.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.65 2iay n VAL 79 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2iay s GLN 80 N -2.00 4.22 0.32 5.55 0.74 -1.26 -4.86 119.66 122.36 2iay s GLN 80 Ca 0.00 2.26 -0.29 0.00 0.05 0.00 0.00 55.36 57.38 2iay s GLN 80 Cb 0.00 -3.55 -0.12 0.00 1.10 0.00 0.00 33.01 30.44 2iay s GLN 80 CO 0.00 -0.69 1.43 0.54 -0.55 0.00 0.00 175.29 176.02 2iay n ARG 81 N 5.38 2.35 -4.22 1.67 5.12 -1.26 -0.58 116.66 125.12 2iay n ARG 81 Ca 0.15 0.83 -0.18 0.00 -1.93 0.00 0.00 57.85 56.72 2iay n ARG 81 Cb 0.41 -2.51 -0.11 0.00 -1.16 0.00 0.00 32.46 29.09 2iay n ARG 81 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2iay s ALA 82 N -0.62 1.41 -0.31 7.54 0.00 -0.49 -4.71 121.76 124.60 2iay s ALA 82 Ca 0.60 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2iay s ALA 82 Cb -0.55 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 22.56 2iay s ALA 82 CO 0.57 0.14 -0.01 1.21 0.00 0.00 0.00 175.76 177.67 2iay s ASN 83 N -2.20 4.57 0.00 0.00 3.84 -1.26 -4.60 114.94 115.29 2iay s ASN 83 Ca 0.05 -1.82 0.27 0.00 0.21 0.00 0.00 52.86 51.57 2iay s ASN 83 Cb -0.07 -1.54 0.92 0.00 -0.55 0.00 0.00 41.25 40.01 2iay s ASN 83 CO 0.03 -0.31 1.67 2.30 -2.79 0.00 0.00 177.10 177.99 2iay n ILE 84 N 4.37 0.00 -0.09 -5.21 -5.35 -1.26 -4.38 119.36 107.44 2iay n ILE 84 Ca -0.03 -0.11 -0.10 0.00 -0.27 0.00 0.00 62.75 62.23 2iay n ILE 84 Cb 0.42 0.25 -0.13 0.00 -1.74 0.00 0.00 39.64 38.45 2iay n ILE 84 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2iay n PHE 85 N -0.69 0.00 -1.68 4.28 3.72 -1.26 -3.89 117.46 117.94 2iay n PHE 85 Ca 0.13 0.00 -0.57 0.00 -0.05 0.00 0.00 57.45 56.96 2iay n PHE 85 Cb 0.33 -0.87 -0.07 0.00 -0.94 0.00 0.00 39.48 37.93 2iay n PHE 85 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2iay n LYS 86 N -2.78 1.05 -1.53 -1.08 4.01 -1.26 -0.45 118.16 116.12 2iay n LYS 86 Ca -0.32 0.39 -0.18 0.00 -0.51 0.00 0.00 58.31 57.69 2iay n LYS 86 Cb 1.03 -2.04 -0.07 0.00 -0.51 0.00 0.00 35.03 33.44 2iay n LYS 86 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2iay n ASN 87 N 4.47 -4.63 -3.96 4.39 3.02 -1.26 -2.64 115.26 114.65 2iay n ASN 87 Ca 0.24 0.43 -0.30 0.00 -0.03 0.00 0.00 54.58 54.92 2iay n ASN 87 Cb 0.13 -4.16 0.02 0.00 -0.61 0.00 0.00 39.78 35.16 2iay n ASN 87 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2iay n ASP 88 N -1.01 -4.05 0.01 6.41 2.03 0.40 -4.87 116.55 115.47 2iay n ASP 88 Ca -0.18 -0.83 0.14 0.00 0.52 0.00 0.00 54.79 54.44 2iay n ASP 88 Cb 0.58 -3.66 0.53 0.00 -0.72 0.00 0.00 41.12 37.85 2iay n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2iay n ALA 89 N -4.59 2.50 -3.15 -1.67 0.00 -1.08 -4.20 120.51 108.33 2iay n ALA 89 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 2iay n ALA 89 Cb 0.54 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2iay n ALA 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2iay n HIS 90 N -1.61 1.05 -0.05 0.00 8.25 -1.25 -4.97 115.22 116.64 2iay n HIS 90 Ca 0.07 -3.84 -0.00 0.00 -0.26 0.00 0.00 57.72 53.68 2iay n HIS 90 Cb 0.35 -0.43 0.29 0.00 1.12 0.00 0.00 29.99 31.32 2iay n HIS 90 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2iay h PRO 91 N 3.14 0.64 -0.44 -0.41 0.13 -1.86 -1.43 132.00 131.78 2iay h PRO 91 Ca 0.11 -0.11 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2iay h PRO 91 Cb 0.85 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 2iay h PRO 91 CO 0.57 0.57 -0.01 0.93 -0.23 0.00 0.00 178.00 179.84 2iay h GLU 92 N 0.63 0.79 -0.60 0.86 5.08 -1.96 -0.19 114.58 119.19 2iay h GLU 92 Ca 0.15 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2iay h GLU 92 Cb 0.21 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2iay h GLU 92 CO -0.01 0.86 0.34 0.00 -1.00 0.00 0.00 179.01 179.20 2iay h ALA 93 N 0.90 0.76 -0.50 3.43 0.00 -1.86 -1.80 119.26 120.20 2iay h ALA 93 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2iay h ALA 93 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2iay h ALA 93 CO 0.03 0.27 0.22 0.28 0.00 0.00 0.00 179.25 180.04 2iay h VAL 94 N 0.81 1.21 -0.87 0.00 2.07 -1.04 -0.21 116.25 118.22 2iay h VAL 94 Ca 0.21 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2iay h VAL 94 Cb 0.02 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2iay h VAL 94 CO -0.04 0.24 0.56 -0.33 0.02 0.00 0.00 177.57 178.02 2iay h GLU 95 N 0.67 1.16 -0.28 1.57 4.39 -0.85 0.50 114.58 121.74 2iay h GLU 95 Ca 0.17 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 2iay h GLU 95 Cb 0.17 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2iay h GLU 95 CO -0.02 0.78 -0.01 0.37 -1.16 0.00 0.00 179.01 178.98 2iay h GLN 96 N 1.18 0.50 -0.39 2.33 4.15 -1.07 -0.90 115.11 120.91 2iay h GLN 96 Ca 0.32 -0.16 0.05 0.00 0.77 0.00 0.00 58.65 59.62 2iay h GLN 96 Cb -0.10 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 2iay h GLN 96 CO -0.06 0.66 0.12 1.25 -1.93 0.00 0.00 178.83 178.87 2iay h LEU 97 N 0.28 0.12 -1.13 -2.39 6.46 -0.73 -1.57 115.31 116.35 2iay h LEU 97 Ca 0.08 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2iay h LEU 97 Cb 0.44 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2iay h LEU 97 CO 0.02 0.10 0.25 0.03 -0.62 0.00 0.00 178.44 178.22 2iay h ARG 98 N 0.27 0.87 -0.28 1.25 2.47 -0.75 -0.93 114.38 117.27 2iay h ARG 98 Ca 0.18 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2iay h ARG 98 Cb 0.17 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2iay h ARG 98 CO -0.20 0.70 0.17 -0.92 0.56 0.00 0.00 179.97 180.28 2iay h TYR 99 N 0.86 0.37 0.07 3.04 5.03 -0.78 0.63 116.97 126.19 2iay h TYR 99 Ca 0.21 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 2iay h TYR 99 Cb 0.15 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.31 2iay h TYR 99 CO 0.01 0.28 -0.04 0.82 -1.32 0.00 0.00 178.16 177.91 2iay h ILE 100 N 0.35 0.93 0.00 1.81 2.04 -0.94 -2.97 117.51 118.72 2iay h ILE 100 Ca 0.10 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 2iay h ILE 100 Cb 0.02 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2iay h ILE 100 CO -0.02 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.81 2iay h LEU 101 N -0.10 0.00 -1.32 1.44 3.38 -1.06 -2.70 115.31 114.95 2iay h LEU 101 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2iay h LEU 101 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2iay h LEU 101 CO 0.02 0.25 0.27 0.00 0.09 0.00 0.00 178.44 179.07 2iay h ALA 102 N 1.75 1.48 -0.62 1.53 0.00 -0.71 -0.59 119.26 122.10 2iay h ALA 102 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2iay h ALA 102 Cb 0.65 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2iay h ALA 102 CO 0.03 0.42 0.19 -0.91 0.00 0.00 0.00 179.25 178.99 2iay h ASN 103 N 0.74 0.87 -0.04 0.00 2.35 -1.47 -1.20 115.58 116.83 2iay h ASN 103 Ca 0.19 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 2iay h ASN 103 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2iay h ASN 103 CO -0.03 0.82 -0.30 -0.26 -1.65 0.00 0.00 177.43 176.01 2iay h PHE 104 N 0.91 0.56 -0.40 1.19 0.04 -1.21 -2.36 116.94 115.67 2iay h PHE 104 Ca 0.20 -0.13 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 2iay h PHE 104 Cb 0.26 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 2iay h PHE 104 CO 0.02 0.74 -0.02 0.82 -0.60 0.00 0.00 178.31 179.27 2iay h ILE 105 N 0.43 1.26 0.00 -0.55 2.04 -0.78 -0.71 117.51 119.20 2iay h ILE 105 Ca 0.06 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2iay h ILE 105 Cb 0.74 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2iay h ILE 105 CO 0.06 0.35 0.00 -0.33 0.00 0.00 0.00 178.15 178.23 2iay h GLU 106 N 0.54 0.00 -0.19 2.37 4.39 -1.08 -3.10 114.58 117.51 2iay h GLU 106 Ca 0.11 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 2iay h GLU 106 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2iay h GLU 106 CO 0.02 0.00 -0.04 0.54 -1.16 0.00 0.00 179.01 178.37 2iay n ARG 107 N -2.95 2.18 -3.40 2.33 5.12 -0.90 -4.98 116.66 114.05 2iay n ARG 107 Ca 0.01 -2.86 -0.20 0.00 -1.93 0.00 0.00 57.85 52.87 2iay n ARG 107 Cb 0.27 -1.73 0.07 0.00 -1.16 0.00 0.00 32.46 29.91 2iay n ARG 107 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2iay n ASP 108 N -0.93 -5.33 -0.11 0.55 2.03 -1.12 -4.92 116.55 106.73 2iay n ASP 108 Ca 0.22 -0.46 -0.22 0.00 0.52 0.00 0.00 54.79 54.85 2iay n ASP 108 Cb 0.84 -4.31 -0.08 0.00 -0.72 0.00 0.00 41.12 36.84 2iay n ASP 108 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2iay n ILE 109 N -4.51 1.21 -4.31 5.18 5.41 -0.29 -4.19 119.36 117.85 2iay n ILE 109 Ca -0.02 -0.33 -0.21 0.00 1.00 0.00 0.00 62.75 63.19 2iay n ILE 109 Cb 0.56 -1.72 -0.11 0.00 -0.71 0.00 0.00 39.64 37.66 2iay n ILE 109 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2iay s LEU 110 N -7.05 2.43 0.30 1.39 1.43 -1.10 -0.97 118.68 115.11 2iay s LEU 110 Ca -0.31 -0.85 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 2iay s LEU 110 Cb 0.11 -0.77 -0.06 0.00 0.03 0.00 0.00 46.19 45.50 2iay s LEU 110 CO 0.40 -0.06 0.01 0.42 0.23 0.00 0.00 176.35 177.35 2iay s THR 111 N -2.06 1.37 0.23 5.49 -4.23 0.08 -3.93 115.64 112.59 2iay s THR 111 Ca 0.14 -2.05 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2iay s THR 111 Cb -0.06 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 2iay s THR 111 CO 0.06 -0.15 0.02 0.42 -0.54 0.00 0.00 174.62 174.42 2iay s THR 112 N -3.18 0.92 -2.00 3.99 -4.23 -1.26 -0.64 115.64 109.23 2iay s THR 112 Ca 0.33 -2.02 0.18 0.00 -1.18 0.00 0.00 61.69 59.00 2iay s THR 112 Cb 0.07 -2.38 0.52 0.00 1.34 0.00 0.00 72.50 72.04 2iay s THR 112 CO 0.13 -0.28 1.48 0.47 -0.54 0.00 0.00 174.62 175.89