#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oay s GLN 3 N 0.00 -0.02 -0.54 5.55 -0.21 -1.12 -5.04 119.66 118.28 1oay s GLN 3 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.53 1oay s GLN 3 Cb 0.00 -0.19 0.14 0.00 1.00 0.00 0.00 33.01 33.96 1oay s GLN 3 CO 0.00 -0.13 0.31 -0.51 -2.12 0.00 0.00 175.29 172.84 1oay s LEU 4 N 0.84 4.90 -0.55 2.90 1.43 -1.26 -2.59 118.68 124.34 1oay s LEU 4 Ca -0.07 -2.73 -0.20 0.00 -1.03 0.00 0.00 54.13 50.10 1oay s LEU 4 Cb -0.10 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1oay s LEU 4 CO -0.02 -0.35 0.70 -1.10 0.23 0.00 0.00 176.35 175.81 1oay s GLN 5 N 0.11 3.11 0.78 1.70 -1.52 -1.17 -3.98 119.66 118.70 1oay s GLN 5 Ca 0.15 -0.98 -0.09 0.00 -1.95 0.00 0.00 55.36 52.49 1oay s GLN 5 Cb -0.22 -4.16 0.10 0.00 -0.22 0.00 0.00 33.01 28.51 1oay s GLN 5 CO -0.03 -1.39 1.11 -0.65 -0.25 0.00 0.00 175.29 174.08 1oay s GLN 6 N 2.86 1.80 0.89 2.91 -0.21 -1.26 -2.41 119.66 124.23 1oay s GLN 6 Ca 0.16 -0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.15 1oay s GLN 6 Cb -0.20 -2.07 0.12 0.00 1.00 0.00 0.00 33.01 31.86 1oay s GLN 6 CO 0.10 -1.57 1.11 -1.54 -2.12 0.00 0.00 175.29 171.28 1oay s SER 7 N -4.62 3.69 1.09 5.90 1.04 -1.23 -4.96 113.70 114.61 1oay s SER 7 Ca 0.64 1.17 -0.18 0.00 0.48 0.00 0.00 55.95 58.06 1oay s SER 7 Cb -0.09 -1.83 0.26 0.00 0.10 0.00 0.00 66.02 64.46 1oay s SER 7 CO 0.47 -2.46 1.26 -0.83 0.98 0.00 0.00 173.24 172.67 1oay s GLY 8 N -3.83 1.73 0.35 7.32 0.00 -1.26 -4.66 107.32 106.98 1oay s GLY 8 Ca 0.63 -1.23 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 1oay s GLY 8 CO 0.55 -0.36 1.42 0.00 0.00 0.00 0.00 173.10 174.71 1oay s ALA 9 N -3.60 3.55 -0.00 3.20 0.00 -1.26 -4.80 121.76 118.84 1oay s ALA 9 Ca 0.75 1.45 0.05 0.00 0.00 0.00 0.00 51.96 54.21 1oay s ALA 9 Cb -0.04 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1oay s ALA 9 CO 0.55 -0.89 -0.16 -1.21 0.00 0.00 0.00 175.76 174.04 1oay s GLU 10 N -1.88 2.29 -0.19 0.00 0.41 -1.16 -5.04 118.70 113.12 1oay s GLU 10 Ca 0.52 -0.84 0.01 0.00 -0.41 0.00 0.00 54.97 54.25 1oay s GLU 10 Cb -0.44 -2.27 0.04 0.00 -1.78 0.00 0.00 34.13 29.68 1oay s GLU 10 CO 0.58 0.58 -0.11 -1.17 -0.49 0.00 0.00 175.26 174.65 1oay s LEU 11 N -1.07 2.21 0.01 1.80 0.20 -1.26 -3.10 118.68 117.47 1oay s LEU 11 Ca 0.13 -0.83 -0.00 0.00 0.69 0.00 0.00 54.13 54.12 1oay s LEU 11 Cb -0.11 -1.24 -0.01 0.00 -0.43 0.00 0.00 46.19 44.40 1oay s LEU 11 CO 0.03 -0.13 -0.01 0.68 -0.29 0.00 0.00 176.35 176.63 1oay s VAL 12 N 1.40 0.06 0.63 1.68 -7.23 -1.22 -5.04 120.40 110.68 1oay s VAL 12 Ca -0.00 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.56 1oay s VAL 12 Cb -0.16 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 1oay s VAL 12 CO -0.09 -0.27 1.04 -0.54 -0.31 0.00 0.00 175.10 174.92 1oay s LYS 13 N -0.80 3.48 0.18 4.82 1.02 -1.26 -2.34 119.74 124.83 1oay s LYS 13 Ca -0.09 0.79 -0.31 0.00 0.02 0.00 0.00 55.97 56.38 1oay s LYS 13 Cb -0.05 -2.06 -0.09 0.00 -0.52 0.00 0.00 37.83 35.10 1oay s LYS 13 CO -0.01 -0.67 1.44 -2.14 -0.92 0.00 0.00 175.35 173.05 1oay s PRO 14 N -5.16 4.29 0.00 -1.68 0.02 -1.26 -2.99 135.00 128.23 1oay s PRO 14 Ca 0.56 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.79 1oay s PRO 14 Cb -0.12 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1oay s PRO 14 CO 0.54 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 177.17 1oay n GLY 15 N 3.03 2.82 3.83 0.52 0.00 -1.06 -4.96 105.19 109.38 1oay n GLY 15 Ca 0.10 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1oay n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oay s ALA 16 N -1.33 1.89 0.45 4.61 0.00 -1.16 -4.28 121.76 121.93 1oay s ALA 16 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1oay s ALA 16 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1oay s ALA 16 CO 0.00 -2.48 0.18 -1.12 0.00 0.00 0.00 175.76 172.34 1oay s SER 17 N -4.44 4.38 -0.18 0.00 0.01 -1.26 -3.49 113.70 108.72 1oay s SER 17 Ca 0.69 -1.20 -0.21 0.00 1.31 0.00 0.00 55.95 56.54 1oay s SER 17 Cb -0.09 -0.20 0.05 0.00 0.21 0.00 0.00 66.02 66.00 1oay s SER 17 CO 0.53 -0.67 0.57 0.54 0.41 0.00 0.00 173.24 174.62 1oay s VAL 18 N -2.67 0.00 -0.25 3.43 0.11 -1.12 -4.98 120.40 114.93 1oay s VAL 18 Ca 0.35 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1oay s VAL 18 Cb 0.03 -0.81 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1oay s VAL 18 CO 0.19 -0.02 -0.09 -0.75 -3.33 0.00 0.00 175.10 171.10 1oay s LYS 19 N -0.01 2.59 0.53 1.54 2.20 -1.26 -2.48 119.74 122.85 1oay s LYS 19 Ca -0.02 -1.13 -0.01 0.00 -0.36 0.00 0.00 55.97 54.45 1oay s LYS 19 Cb -0.04 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.39 1oay s LYS 19 CO 0.02 -0.46 0.77 -0.51 -0.36 0.00 0.00 175.35 174.81 1oay s LEU 20 N 1.23 3.39 0.29 5.43 1.43 -1.19 -4.96 118.68 124.30 1oay s LEU 20 Ca -0.03 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 1oay s LEU 20 Cb -0.18 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 1oay s LEU 20 CO -0.06 -0.98 0.14 -0.94 0.23 0.00 0.00 176.35 174.75 1oay s SER 21 N -4.32 1.39 -0.49 2.29 1.04 -1.26 -3.06 113.70 109.28 1oay s SER 21 Ca 0.53 -1.51 0.05 0.00 0.48 0.00 0.00 55.95 55.51 1oay s SER 21 Cb -0.10 0.33 0.19 0.00 0.10 0.00 0.00 66.02 66.54 1oay s SER 21 CO 0.40 -0.84 0.78 0.00 0.98 0.00 0.00 173.24 174.55 1oay s LYS 23 N 0.89 2.78 0.51 0.00 2.20 -1.01 -2.53 119.74 122.59 1oay s LYS 23 Ca 0.29 0.16 -0.19 0.00 -0.36 0.00 0.00 55.97 55.87 1oay s LYS 23 Cb 0.02 -4.54 -0.07 0.00 -1.51 0.00 0.00 37.83 31.72 1oay s LYS 23 CO -0.06 -2.71 1.04 0.00 -0.36 0.00 0.00 175.35 173.26 1oay s ALA 24 N 8.37 2.85 0.06 3.13 0.00 -0.88 -3.05 121.76 132.23 1oay s ALA 24 Ca 0.60 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 1oay s ALA 24 Cb -0.10 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1oay s ALA 24 CO 0.13 -0.43 0.71 -1.54 0.00 0.00 0.00 175.76 174.64 1oay s SER 25 N -2.23 -0.53 0.00 0.00 1.04 -1.07 -4.79 113.70 106.13 1oay s SER 25 Ca 0.66 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1oay s SER 25 Cb -0.16 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1oay s SER 25 CO 0.25 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.30 1oay n GLY 26 N -0.01 0.73 3.79 7.32 0.00 -1.26 -2.79 105.19 112.97 1oay n GLY 26 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 1oay n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oay s TYR 27 N -2.41 0.11 -0.31 1.61 1.13 -1.26 -4.62 117.35 111.59 1oay s TYR 27 Ca 0.00 -0.67 -0.29 0.00 -1.41 0.00 0.00 57.07 54.70 1oay s TYR 27 Cb 0.00 0.70 -0.01 0.00 -1.10 0.00 0.00 41.96 41.56 1oay s TYR 27 CO 0.00 -1.41 1.46 0.99 -2.51 0.00 0.00 175.55 174.08 1oay s THR 28 N -2.94 3.89 0.19 -3.49 2.01 -1.26 -4.91 115.64 109.13 1oay s THR 28 Ca 0.16 0.97 -0.10 0.00 0.31 0.00 0.00 61.69 63.02 1oay s THR 28 Cb -0.05 -4.00 0.11 0.00 0.01 0.00 0.00 72.50 68.57 1oay s THR 28 CO 0.11 -0.50 1.75 0.15 -0.69 0.00 0.00 174.62 175.44 1oay h PHE 29 N 10.42 1.05 0.00 4.92 3.57 -1.96 -2.94 116.94 132.00 1oay h PHE 29 Ca -0.29 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1oay h PHE 29 Cb 1.12 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.55 1oay h PHE 29 CO 0.92 0.81 0.00 1.79 -2.23 0.00 0.00 178.31 179.60 1oay h THR 30 N 0.98 0.00 0.00 4.41 1.35 -1.94 -3.24 112.91 114.48 1oay h THR 30 Ca 0.23 -0.69 -0.08 0.00 -0.55 0.00 0.00 66.41 65.32 1oay h THR 30 Cb 0.20 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1oay h THR 30 CO -0.02 0.00 -0.39 0.28 -0.25 0.00 0.00 175.52 175.14 1oay h SER 31 N 0.00 0.00 -3.75 5.36 0.02 -1.93 -3.39 113.55 109.87 1oay h SER 31 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1oay h SER 31 Cb 0.70 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.05 1oay h SER 31 CO 0.00 0.39 -0.81 -0.31 -1.14 0.00 0.00 176.83 174.96 1oay s TYR 32 N -3.73 2.52 1.09 3.45 1.51 -1.22 -4.81 117.35 116.16 1oay s TYR 32 Ca -0.01 -0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 55.60 1oay s TYR 32 Cb 0.12 -1.34 0.27 0.00 -0.11 0.00 0.00 41.96 40.89 1oay s TYR 32 CO 0.69 0.38 1.11 0.91 -1.11 0.00 0.00 175.55 177.53 1oay n TRP 33 N 0.83 -3.90 -3.30 2.71 8.01 -1.10 -4.40 117.44 116.29 1oay n TRP 33 Ca -0.16 -1.00 -0.09 0.00 -1.31 0.00 0.00 57.50 54.94 1oay n TRP 33 Cb 0.53 -1.05 -0.06 0.00 -2.01 0.00 0.00 31.31 28.72 1oay n TRP 33 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 1oay s MET 34 N -5.48 0.54 0.91 -0.99 1.75 -0.89 -3.49 119.30 111.65 1oay s MET 34 Ca 0.69 -0.20 -0.14 0.00 -1.25 0.00 0.00 55.69 54.79 1oay s MET 34 Cb -0.05 -0.35 0.14 0.00 2.84 0.00 0.00 34.83 37.41 1oay s MET 34 CO 0.51 -1.11 1.20 -1.01 -0.65 0.00 0.00 175.02 173.96 1oay s HIS 35 N 2.13 2.29 -0.04 4.11 3.76 -0.97 -2.86 115.29 123.71 1oay s HIS 35 Ca 0.13 0.66 -0.02 0.00 -0.15 0.00 0.00 55.06 55.67 1oay s HIS 35 Cb -0.12 -3.62 0.02 0.00 1.11 0.00 0.00 32.58 29.98 1oay s HIS 35 CO -0.19 -2.34 0.09 -1.58 -0.85 0.00 0.00 174.74 169.87 1oay s TRP 36 N -3.52 -0.09 0.15 1.40 0.52 -1.03 -2.93 118.94 113.44 1oay s TRP 36 Ca 0.66 0.30 0.07 0.00 0.02 0.00 0.00 56.10 57.16 1oay s TRP 36 Cb -0.10 -0.08 -0.04 0.00 -1.15 0.00 0.00 33.47 32.10 1oay s TRP 36 CO 0.52 -0.10 -0.16 0.08 0.02 0.00 0.00 176.95 177.30 1oay s VAL 37 N 0.72 1.62 -0.24 4.03 1.01 -1.17 -2.55 120.40 123.82 1oay s VAL 37 Ca -0.06 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.10 1oay s VAL 37 Cb -0.08 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.63 1oay s VAL 37 CO -0.03 -0.37 -0.12 -0.75 0.00 0.00 0.00 175.10 173.84 1oay s LYS 38 N -2.78 2.26 -0.42 2.72 2.20 -0.61 -2.72 119.74 120.38 1oay s LYS 38 Ca 0.13 -1.16 -0.05 0.00 -0.36 0.00 0.00 55.97 54.53 1oay s LYS 38 Cb -0.05 -2.74 0.11 0.00 -1.51 0.00 0.00 37.83 33.63 1oay s LYS 38 CO 0.05 -0.50 0.24 -1.14 -0.36 0.00 0.00 175.35 173.64 1oay s GLN 39 N 1.20 2.22 0.24 4.03 0.74 -1.14 -1.78 119.66 125.17 1oay s GLN 39 Ca -0.05 -1.74 0.05 0.00 0.05 0.00 0.00 55.36 53.66 1oay s GLN 39 Cb -0.18 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 1oay s GLN 39 CO -0.07 -1.07 0.36 1.03 -0.55 0.00 0.00 175.29 174.99 1oay s ARG 40 N 1.24 3.44 0.17 1.67 0.52 -1.25 -2.94 118.95 121.80 1oay s ARG 40 Ca 0.06 -0.73 -0.32 0.00 -0.52 0.00 0.00 55.73 54.23 1oay s ARG 40 Cb -0.24 -2.88 -0.11 0.00 0.52 0.00 0.00 34.95 32.24 1oay s ARG 40 CO -0.02 0.42 1.68 -2.14 0.02 0.00 0.00 175.30 175.26 1oay s PRO 41 N -3.95 4.16 0.00 3.54 0.02 -1.26 -3.02 135.00 134.50 1oay s PRO 41 Ca 0.34 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1oay s PRO 41 Cb -0.09 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1oay s PRO 41 CO 0.29 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1oay n GLY 42 N 3.94 0.44 0.09 0.52 0.00 -1.26 -4.82 105.19 104.10 1oay n GLY 42 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 1oay n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oay n ARG 43 N -1.88 2.26 0.00 1.61 3.00 -1.17 -5.10 116.66 115.39 1oay n ARG 43 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 57.85 57.43 1oay n ARG 43 Cb 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 32.46 31.68 1oay n ARG 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1oay n GLY 44 N 0.58 2.69 3.55 -0.13 0.00 -1.25 -4.72 105.19 105.92 1oay n GLY 44 Ca 0.02 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 1oay n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oay s LEU 45 N 0.00 2.87 -0.15 0.99 1.43 -1.26 -3.92 118.68 118.64 1oay s LEU 45 Ca 0.00 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 1oay s LEU 45 Cb 0.00 -1.47 0.07 0.00 0.03 0.00 0.00 46.19 44.82 1oay s LEU 45 CO 0.00 0.06 0.32 -0.70 0.23 0.00 0.00 176.35 176.26 1oay s GLU 46 N -3.22 0.23 0.16 1.70 2.12 -0.73 -4.97 118.70 113.99 1oay s GLU 46 Ca 0.27 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 56.12 1oay s GLU 46 Cb -0.07 0.07 -0.07 0.00 0.26 0.00 0.00 34.13 34.32 1oay s GLU 46 CO 0.16 -0.25 1.19 -0.46 -0.54 0.00 0.00 175.26 175.36 1oay s TRP 47 N 2.28 3.45 -0.23 5.30 -0.00 -1.26 -1.58 118.94 126.89 1oay s TRP 47 Ca -0.02 1.41 -0.10 0.00 -0.00 0.00 0.00 56.10 57.39 1oay s TRP 47 Cb -0.12 -3.41 -0.11 0.00 -0.00 0.00 0.00 33.47 29.83 1oay s TRP 47 CO -0.10 -1.17 -0.29 -0.89 -0.00 0.00 0.00 176.95 174.50 1oay n ILE 48 N 2.82 1.28 -3.55 5.86 5.41 -1.06 -4.69 119.36 125.44 1oay n ILE 48 Ca 0.05 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1oay n ILE 48 Cb 0.45 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 1oay n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oay n GLY 49 N 1.64 -0.69 3.53 7.39 0.00 -1.24 -2.60 105.19 113.23 1oay n GLY 49 Ca -0.45 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 1oay n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oay s ARG 50 N -1.09 0.95 -0.05 1.61 1.04 -1.03 -2.46 118.95 117.91 1oay s ARG 50 Ca 0.00 0.21 0.01 0.00 -1.04 0.00 0.00 55.73 54.91 1oay s ARG 50 Cb 0.00 0.45 0.02 0.00 -2.04 0.00 0.00 34.95 33.38 1oay s ARG 50 CO 0.00 -0.30 -0.04 -1.50 -0.04 0.00 0.00 175.30 173.42 1oay s ILE 51 N -1.25 0.58 -0.37 4.99 2.07 -1.14 -2.48 121.20 123.60 1oay s ILE 51 Ca -0.08 -0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 58.76 1oay s ILE 51 Cb -0.00 -0.62 0.02 0.00 0.13 0.00 0.00 42.46 41.99 1oay s ILE 51 CO 0.07 0.25 1.07 -0.62 -1.91 0.00 0.00 174.94 173.80 1oay s ASP 52 N 1.13 6.80 0.45 4.50 2.15 -0.89 -2.09 116.67 128.73 1oay s ASP 52 Ca -0.08 0.80 0.11 0.00 0.43 0.00 0.00 52.55 53.82 1oay s ASP 52 Cb -0.14 -2.53 1.03 0.00 -0.30 0.00 0.00 42.92 40.98 1oay s ASP 52 CO -0.01 -0.98 2.07 -0.65 -0.17 0.00 0.00 175.17 175.43 1oay h PRO 53 N 8.48 0.34 -6.03 4.34 0.11 -1.84 -1.65 132.00 135.76 1oay h PRO 53 Ca -0.22 -0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.39 1oay h PRO 53 Cb 1.06 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.03 1oay h PRO 53 CO 1.05 0.23 1.16 1.21 -0.21 0.00 0.00 178.00 181.44 1oay s ASN 54 N -6.70 5.82 0.00 -2.05 2.47 -1.26 -3.05 114.94 110.17 1oay s ASN 54 Ca -0.07 -0.70 0.00 0.00 0.42 0.00 0.00 52.86 52.51 1oay s ASN 54 Cb 0.18 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 1oay s ASN 54 CO 0.72 -2.09 0.00 0.61 -3.72 0.00 0.00 177.10 172.62 1oay n GLY 55 N 6.35 0.15 2.66 1.21 0.00 -1.26 -4.63 105.19 109.68 1oay n GLY 55 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 1oay n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oay n GLY 56 N -1.91 -0.50 3.78 -0.02 0.00 -0.63 -4.96 105.19 100.95 1oay n GLY 56 Ca 0.00 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1oay n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oay s GLY 57 N -2.25 2.77 0.25 -0.02 0.00 -1.18 -4.87 107.32 102.02 1oay s GLY 57 Ca 0.11 0.66 0.06 0.00 0.00 0.00 0.00 44.72 45.55 1oay s GLY 57 CO 0.14 1.10 -0.07 -0.51 0.00 0.00 0.00 173.10 173.76 1oay s THR 58 N -1.62 1.55 -0.23 0.90 -4.23 -1.26 -2.08 115.64 108.67 1oay s THR 58 Ca 0.54 -2.13 -0.03 0.00 -1.18 0.00 0.00 61.69 58.89 1oay s THR 58 Cb -0.21 -2.31 0.12 0.00 1.34 0.00 0.00 72.50 71.44 1oay s THR 58 CO 0.27 -0.39 0.36 -0.54 -0.54 0.00 0.00 174.62 173.78 1oay s LYS 59 N -3.73 0.32 0.22 3.99 1.02 -1.04 -5.02 119.74 115.51 1oay s LYS 59 Ca 0.27 0.56 0.06 0.00 0.02 0.00 0.00 55.97 56.89 1oay s LYS 59 Cb 0.03 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.85 1oay s LYS 59 CO 0.10 -0.59 0.17 0.71 -0.92 0.00 0.00 175.35 174.81 1oay s TYR 60 N 2.53 3.12 0.45 3.18 1.51 -1.26 -2.48 117.35 124.40 1oay s TYR 60 Ca 0.10 -0.08 -0.22 0.00 -1.01 0.00 0.00 57.07 55.86 1oay s TYR 60 Cb -0.15 -1.44 -0.08 0.00 -0.11 0.00 0.00 41.96 40.18 1oay s TYR 60 CO -0.15 0.52 1.07 1.21 -1.11 0.00 0.00 175.55 177.10 1oay s ASN 61 N -3.55 6.43 0.47 2.29 2.47 -1.07 -4.95 114.94 117.03 1oay s ASN 61 Ca 0.32 2.07 0.19 0.00 0.42 0.00 0.00 52.86 55.85 1oay s ASN 61 Cb -0.09 -2.58 1.16 0.00 -1.45 0.00 0.00 41.25 38.29 1oay s ASN 61 CO 0.24 -0.72 2.02 0.25 -3.72 0.00 0.00 177.10 175.17 1oay h LEU 62 N 2.02 0.00 -0.10 3.21 7.12 -1.94 -1.98 115.31 123.64 1oay h LEU 62 Ca -0.49 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 57.39 1oay h LEU 62 Cb 1.23 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 41.36 1oay h LEU 62 CO 0.60 0.16 -0.44 0.50 -0.13 0.00 0.00 178.44 179.14 1oay h LYS 63 N 0.00 0.47 -0.98 1.25 3.64 -1.94 -3.32 116.57 115.69 1oay h LYS 63 Ca -0.00 -0.38 -0.55 0.00 -1.27 0.00 0.00 60.65 58.45 1oay h LYS 63 Cb 0.32 0.08 -0.30 0.00 -0.41 0.00 0.00 32.23 31.91 1oay h LYS 63 CO 0.02 1.01 0.68 1.19 -2.27 0.00 0.00 179.45 180.08 1oay n PHE 64 N -4.29 3.05 0.11 1.91 3.72 -1.02 -4.45 117.46 116.49 1oay n PHE 64 Ca -0.08 -2.13 -0.19 0.00 -0.05 0.00 0.00 57.45 55.00 1oay n PHE 64 Cb 0.57 -1.05 -0.15 0.00 -0.94 0.00 0.00 39.48 37.90 1oay n PHE 64 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1oay h LYS 65 N 1.25 0.36 -0.64 -1.08 2.10 -1.48 -3.16 116.57 113.92 1oay h LYS 65 Ca 0.62 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1oay h LYS 65 Cb 2.33 0.23 0.00 0.00 -0.90 0.00 0.00 32.23 33.89 1oay h LYS 65 CO 1.20 1.28 0.00 0.43 -2.00 0.00 0.00 179.45 180.37 1oay n SER 66 N -3.58 4.45 0.02 7.07 7.64 -1.26 -4.53 113.62 123.42 1oay n SER 66 Ca -0.13 -2.50 -0.02 0.00 1.01 0.00 0.00 58.87 57.23 1oay n SER 66 Cb 1.06 -0.57 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1oay n SER 66 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1oay n LYS 67 N 0.83 0.09 -3.25 1.43 3.00 -1.24 -4.88 118.16 114.14 1oay n LYS 67 Ca 0.23 0.04 -0.27 0.00 -0.00 0.00 0.00 58.31 58.30 1oay n LYS 67 Cb 0.87 -0.62 -0.02 0.00 0.00 0.00 0.00 35.03 35.26 1oay n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1oay s ALA 68 N -2.18 3.61 -0.33 3.14 0.00 -1.20 -2.91 121.76 121.89 1oay s ALA 68 Ca -0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1oay s ALA 68 Cb 0.01 -2.30 0.13 0.00 0.00 0.00 0.00 23.12 20.95 1oay s ALA 68 CO 0.08 0.11 0.20 0.99 0.00 0.00 0.00 175.76 177.14 1oay s THR 69 N -2.21 -0.00 -0.09 0.00 2.01 -1.05 -4.89 115.64 109.40 1oay s THR 69 Ca 0.44 -1.25 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 1oay s THR 69 Cb -0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1oay s THR 69 CO 0.33 -0.84 0.90 -0.76 -0.69 0.00 0.00 174.62 173.56 1oay s LEU 70 N 1.54 4.27 0.31 4.42 1.43 -1.26 -2.91 118.68 126.47 1oay s LEU 70 Ca 0.14 1.42 0.05 0.00 -1.03 0.00 0.00 54.13 54.71 1oay s LEU 70 Cb -0.19 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1oay s LEU 70 CO -0.15 -0.33 0.22 0.42 0.23 0.00 0.00 176.35 176.74 1oay s THR 71 N 1.58 0.09 0.07 5.49 -4.23 -1.19 -4.98 115.64 112.46 1oay s THR 71 Ca 0.45 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.91 1oay s THR 71 Cb -0.18 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1oay s THR 71 CO 0.19 0.00 0.07 0.68 -0.54 0.00 0.00 174.62 175.02 1oay s VAL 72 N -3.59 0.18 -0.25 2.29 -7.23 -1.26 -2.61 120.40 107.92 1oay s VAL 72 Ca 0.38 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1oay s VAL 72 Cb 0.04 -1.43 0.07 0.00 0.56 0.00 0.00 36.38 35.62 1oay s VAL 72 CO 0.22 -0.83 0.01 -0.62 -0.31 0.00 0.00 175.10 173.57 1oay s ASP 73 N -2.88 3.78 0.19 4.85 2.15 -1.07 -5.03 116.67 118.65 1oay s ASP 73 Ca 0.06 -1.31 -0.09 0.00 0.43 0.00 0.00 52.55 51.63 1oay s ASP 73 Cb 0.06 -1.01 0.11 0.00 -0.30 0.00 0.00 42.92 41.78 1oay s ASP 73 CO -0.10 -0.31 1.74 0.11 -0.17 0.00 0.00 175.17 176.44 1oay h LYS 74 N 8.02 1.07 -0.57 4.34 1.57 -1.94 -1.04 116.57 128.01 1oay h LYS 74 Ca -0.15 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.48 1oay h LYS 74 Cb 1.06 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.16 1oay h LYS 74 CO 0.42 0.90 0.28 -1.35 -0.57 0.00 0.00 179.45 179.13 1oay h PRO 75 N 1.01 0.51 -0.00 3.15 0.11 -1.98 -2.91 132.00 131.89 1oay h PRO 75 Ca 0.23 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1oay h PRO 75 Cb 0.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1oay h PRO 75 CO -0.01 0.33 -0.36 -1.13 -0.21 0.00 0.00 178.00 176.63 1oay n SER 76 N -4.89 0.74 -3.01 -2.05 3.41 -1.15 -4.96 113.62 101.71 1oay n SER 76 Ca 0.06 -0.56 -0.22 0.00 -0.26 0.00 0.00 58.87 57.89 1oay n SER 76 Cb 0.18 0.17 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1oay n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1oay n SER 77 N -1.06 -5.51 -4.80 4.04 7.64 -0.41 -4.78 113.62 108.75 1oay n SER 77 Ca 0.09 -0.26 -0.25 0.00 1.01 0.00 0.00 58.87 59.46 1oay n SER 77 Cb 0.34 -4.48 -0.05 0.00 -1.01 0.00 0.00 64.21 59.00 1oay n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1oay s THR 78 N -3.09 4.44 -0.06 0.44 2.01 -1.13 -2.08 115.64 116.16 1oay s THR 78 Ca 0.28 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1oay s THR 78 Cb -0.13 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.10 1oay s THR 78 CO 0.35 -0.16 -0.12 0.00 -0.69 0.00 0.00 174.62 174.00 1oay s ALA 79 N -1.83 1.24 0.34 7.40 0.00 -1.05 -2.60 121.76 125.26 1oay s ALA 79 Ca 0.31 -0.41 0.09 0.00 0.00 0.00 0.00 51.96 51.95 1oay s ALA 79 Cb -0.10 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1oay s ALA 79 CO 0.23 0.12 0.02 0.71 0.00 0.00 0.00 175.76 176.84 1oay s TYR 80 N 0.64 2.55 -0.27 0.00 2.02 -1.07 -1.03 117.35 120.18 1oay s TYR 80 Ca -0.14 -0.45 -0.00 0.00 -0.37 0.00 0.00 57.07 56.11 1oay s TYR 80 Cb -0.15 -1.51 0.16 0.00 -0.40 0.00 0.00 41.96 40.05 1oay s TYR 80 CO 0.04 0.47 0.45 1.41 -1.57 0.00 0.00 175.55 176.34 1oay s MET 81 N -3.72 0.43 -0.38 -0.62 -2.45 -1.17 -3.19 119.30 108.20 1oay s MET 81 Ca 0.35 0.53 -0.20 0.00 -1.25 0.00 0.00 55.69 55.12 1oay s MET 81 Cb 0.00 -0.15 0.01 0.00 1.25 0.00 0.00 34.83 35.94 1oay s MET 81 CO 0.19 -0.78 0.61 -1.14 1.05 0.00 0.00 175.02 174.95 1oay s GLN 82 N 2.64 3.55 -0.24 4.11 0.74 -1.15 -3.14 119.66 126.17 1oay s GLN 82 Ca 0.13 -0.13 -0.15 0.00 0.05 0.00 0.00 55.36 55.27 1oay s GLN 82 Cb -0.14 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 1oay s GLN 82 CO -0.22 -0.79 0.36 -0.51 -0.55 0.00 0.00 175.29 173.59 1oay s LEU 83 N 2.66 4.10 0.28 3.68 1.43 -1.03 -2.53 118.68 127.26 1oay s LEU 83 Ca 0.22 0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.80 1oay s LEU 83 Cb -0.15 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1oay s LEU 83 CO 0.16 -0.11 -0.14 -0.94 0.23 0.00 0.00 176.35 175.55 1oay s SER 84 N 1.32 3.89 -1.14 2.29 1.04 -1.15 -2.80 113.70 117.15 1oay s SER 84 Ca 0.16 -0.91 -0.11 0.00 0.48 0.00 0.00 55.95 55.56 1oay s SER 84 Cb -0.15 -0.47 -0.03 0.00 0.10 0.00 0.00 66.02 65.47 1oay s SER 84 CO 0.08 0.02 0.82 -1.20 0.98 0.00 0.00 173.24 173.95 1oay n SER 85 N -0.71 -4.86 -4.76 7.02 7.64 -1.26 -4.86 113.62 111.83 1oay n SER 85 Ca -0.05 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.56 1oay n SER 85 Cb 0.60 -4.18 -0.03 0.00 -1.01 0.00 0.00 64.21 59.58 1oay n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1oay s LEU 86 N -6.14 4.49 0.00 -3.43 1.43 -1.23 -4.81 118.68 108.99 1oay s LEU 86 Ca 0.36 2.41 0.01 0.00 -1.03 0.00 0.00 54.13 55.89 1oay s LEU 86 Cb -0.09 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 1oay s LEU 86 CO 0.81 -0.33 0.04 0.35 0.23 0.00 0.00 176.35 177.45 1oay n THR 87 N 1.32 0.00 0.26 5.49 -2.24 -1.26 -2.57 114.28 115.29 1oay n THR 87 Ca 0.00 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.28 1oay n THR 87 Cb 0.44 0.24 0.68 0.00 -2.10 0.00 0.00 70.33 69.58 1oay n THR 87 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1oay h SER 88 N 0.44 0.00 0.87 3.42 4.64 -1.97 -3.03 113.55 117.93 1oay h SER 88 Ca -0.08 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 1oay h SER 88 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1oay h SER 88 CO 0.13 0.13 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.59 1oay h GLU 89 N 0.00 0.00 -0.01 4.77 4.39 -1.96 -3.13 114.58 118.64 1oay h GLU 89 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1oay h GLU 89 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1oay h GLU 89 CO 0.02 0.30 0.00 -0.25 -1.16 0.00 0.00 179.01 177.92 1oay n ASP 90 N -3.48 0.59 -4.55 1.42 8.00 -1.14 -4.77 116.55 112.62 1oay n ASP 90 Ca -0.00 -1.21 -0.38 0.00 0.71 0.00 0.00 54.79 53.91 1oay n ASP 90 Cb 0.47 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1oay n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1oay s SER 91 N -1.98 5.48 0.08 -2.24 0.01 -1.19 -4.89 113.70 108.97 1oay s SER 91 Ca 0.44 0.02 -0.26 0.00 1.31 0.00 0.00 55.95 57.46 1oay s SER 91 Cb 0.21 -2.54 0.08 0.00 0.21 0.00 0.00 66.02 63.98 1oay s SER 91 CO 0.35 -2.27 0.68 0.00 0.41 0.00 0.00 173.24 172.41 1oay s ALA 92 N 8.35 -1.68 -0.43 1.44 0.00 -1.16 -4.85 121.76 123.43 1oay s ALA 92 Ca 0.60 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 53.06 1oay s ALA 92 Cb -0.11 0.59 0.02 0.00 0.00 0.00 0.00 23.12 23.62 1oay s ALA 92 CO 0.16 -0.67 1.01 0.08 0.00 0.00 0.00 175.76 176.35 1oay s VAL 93 N -3.09 4.41 -0.20 0.00 1.01 -1.15 -2.81 120.40 118.58 1oay s VAL 93 Ca -0.00 1.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.95 1oay s VAL 93 Cb -0.01 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1oay s VAL 93 CO -0.08 -0.79 0.32 -0.31 0.00 0.00 0.00 175.10 174.24 1oay s TYR 94 N 3.92 3.39 0.44 5.22 2.02 -1.10 -2.87 117.35 128.38 1oay s TYR 94 Ca 0.42 0.53 0.07 0.00 -0.37 0.00 0.00 57.07 57.72 1oay s TYR 94 Cb -0.10 -2.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.03 1oay s TYR 94 CO 0.25 0.08 0.32 0.71 -1.57 0.00 0.00 175.55 175.35 1oay s TYR 95 N 1.00 2.49 -0.05 2.71 2.02 -1.10 -2.53 117.35 121.89 1oay s TYR 95 Ca 0.16 -0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1oay s TYR 95 Cb -0.14 -2.06 0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1oay s TYR 95 CO 0.06 -0.09 0.00 0.00 -1.57 0.00 0.00 175.55 173.96 1oay s ALA 97 N 1.49 1.42 0.85 0.00 0.00 -1.15 -2.10 121.76 122.27 1oay s ALA 97 Ca -0.03 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1oay s ALA 97 Cb -0.13 -1.30 0.10 0.00 0.00 0.00 0.00 23.12 21.79 1oay s ALA 97 CO -0.03 -1.20 1.10 -0.98 0.00 0.00 0.00 175.76 174.65 1oay s ARG 98 N 1.66 1.63 -0.17 0.00 1.70 -1.13 -2.28 118.95 120.35 1oay s ARG 98 Ca -0.03 1.18 -0.08 0.00 -0.47 0.00 0.00 55.73 56.33 1oay s ARG 98 Cb -0.18 -1.82 0.06 0.00 -0.57 0.00 0.00 34.95 32.44 1oay s ARG 98 CO -0.08 -2.09 0.40 1.41 -1.08 0.00 0.00 175.30 173.87 1oay s MET 99 N -4.83 0.36 0.23 3.89 1.75 -1.23 -3.73 119.30 115.75 1oay s MET 99 Ca 0.63 0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 55.59 1oay s MET 99 Cb -0.19 0.03 -0.09 0.00 2.84 0.00 0.00 34.83 37.42 1oay s MET 99 CO 0.57 -0.18 1.28 -0.46 -0.65 0.00 0.00 175.02 175.58 1oay s TRP 100 N 1.64 3.26 -0.01 4.11 -0.11 -1.10 -2.70 118.94 124.03 1oay s TRP 100 Ca -0.08 1.33 0.02 0.00 1.22 0.00 0.00 56.10 58.58 1oay s TRP 100 Cb -0.09 -3.57 0.02 0.00 -1.50 0.00 0.00 33.47 28.33 1oay s TRP 100 CO -0.12 -1.68 0.77 2.48 -4.62 0.00 0.00 176.95 173.78 1oay n TYR 101 N 2.10 0.00 -3.35 5.86 0.18 -1.22 -2.85 117.16 117.87 1oay n TYR 101 Ca 0.04 -0.15 -0.46 0.00 1.88 0.00 0.00 57.90 59.21 1oay n TYR 101 Cb 0.43 -0.03 -0.02 0.00 -0.38 0.00 0.00 39.34 39.34 1oay n TYR 101 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1oay s TYR 102 N -0.38 3.89 0.00 -3.48 4.12 -1.26 -4.50 117.35 115.74 1oay s TYR 102 Ca 0.03 -2.23 0.00 0.00 0.02 0.00 0.00 57.07 54.88 1oay s TYR 102 Cb 0.02 -3.79 0.00 0.00 -1.52 0.00 0.00 41.96 36.68 1oay s TYR 102 CO 0.00 -0.97 0.00 0.41 0.02 0.00 0.00 175.55 175.01 1oay n GLY 103 N 3.58 3.12 3.10 0.71 0.00 -1.26 -5.02 105.19 109.42 1oay n GLY 103 Ca 0.16 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1oay n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1oay s THR 104 N -0.34 0.10 -0.62 2.61 -1.32 -1.26 -5.13 115.64 109.69 1oay s THR 104 Ca 0.00 -0.85 -0.04 0.00 -1.21 0.00 0.00 61.69 59.59 1oay s THR 104 Cb 0.00 -0.59 0.16 0.00 -1.51 0.00 0.00 72.50 70.56 1oay s THR 104 CO 0.00 -0.47 0.44 -0.31 -2.21 0.00 0.00 174.62 172.07 1oay s TYR 105 N -1.85 3.45 0.01 9.09 1.51 -1.25 -3.43 117.35 124.87 1oay s TYR 105 Ca -0.11 -2.61 0.05 0.00 -1.01 0.00 0.00 57.07 53.39 1oay s TYR 105 Cb -0.05 -3.26 -0.02 0.00 -0.11 0.00 0.00 41.96 38.52 1oay s TYR 105 CO -0.01 -0.87 -0.17 1.52 -1.11 0.00 0.00 175.55 174.92 1oay s TYR 106 N 0.09 1.49 0.79 2.71 -0.85 -1.13 -5.01 117.35 115.43 1oay s TYR 106 Ca 0.16 -0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.28 1oay s TYR 106 Cb -0.20 -0.93 0.07 0.00 0.38 0.00 0.00 41.96 41.28 1oay s TYR 106 CO -0.04 0.01 1.16 -0.06 -1.52 0.00 0.00 175.55 175.10 1oay s PHE 107 N -0.58 3.02 0.22 -3.49 0.08 -1.26 -2.73 117.98 113.24 1oay s PHE 107 Ca 0.06 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.90 1oay s PHE 107 Cb -0.07 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 1oay s PHE 107 CO 0.00 -1.65 0.00 -0.40 -0.10 0.00 0.00 175.22 173.08 1oay n ASP 108 N -3.24 -1.85 -4.43 1.36 5.68 -1.24 -4.96 116.55 107.87 1oay n ASP 108 Ca 0.08 0.41 -0.36 0.00 -0.50 0.00 0.00 54.79 54.42 1oay n ASP 108 Cb 0.60 1.96 -0.13 0.00 -1.14 0.00 0.00 41.12 42.42 1oay n ASP 108 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1oay s TYR 109 N -1.45 3.07 0.38 2.11 2.02 -1.26 -5.05 117.35 117.16 1oay s TYR 109 Ca 0.00 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1oay s TYR 109 Cb 0.00 -2.20 -0.03 0.00 -0.40 0.00 0.00 41.96 39.33 1oay s TYR 109 CO 0.00 -0.36 0.29 -1.58 -1.57 0.00 0.00 175.55 172.33 1oay s TRP 110 N 1.49 2.75 0.61 2.71 0.52 -1.26 -2.84 118.94 122.92 1oay s TRP 110 Ca 0.06 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.76 1oay s TRP 110 Cb -0.15 -1.94 0.07 0.00 -1.15 0.00 0.00 33.47 30.30 1oay s TRP 110 CO 0.02 0.09 0.85 0.20 0.02 0.00 0.00 176.95 178.14 1oay s GLY 111 N -4.01 1.80 0.29 0.98 0.00 -0.89 -4.56 107.32 100.93 1oay s GLY 111 Ca 0.43 -1.48 0.12 0.00 0.00 0.00 0.00 44.72 43.79 1oay s GLY 111 CO 0.26 -1.10 1.62 0.06 0.00 0.00 0.00 173.10 173.94 1oay h GLN 112 N -0.14 0.00 0.00 2.90 3.07 -1.93 -3.45 115.11 115.56 1oay h GLN 112 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.34 1oay h GLN 112 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 1oay h GLN 112 CO 0.48 0.58 0.00 0.41 0.09 0.00 0.00 178.83 180.39 1oay n GLY 113 N 0.32 2.71 2.64 0.06 0.00 -1.26 -5.05 105.19 104.62 1oay n GLY 113 Ca -0.01 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1oay n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oay s THR 114 N -2.55 0.38 -0.22 2.61 2.01 -1.05 -4.88 115.64 111.94 1oay s THR 114 Ca 0.00 -0.97 -0.29 0.00 0.31 0.00 0.00 61.69 60.74 1oay s THR 114 Cb 0.00 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1oay s THR 114 CO 0.00 -0.63 1.58 -0.89 -0.69 0.00 0.00 174.62 174.00 1oay s THR 115 N 1.88 3.74 -0.16 -0.82 2.01 -1.26 -2.69 115.64 118.34 1oay s THR 115 Ca 0.08 0.84 -0.07 0.00 0.31 0.00 0.00 61.69 62.85 1oay s THR 115 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1oay s THR 115 CO -0.27 -0.30 0.09 -0.22 -0.69 0.00 0.00 174.62 173.23 1oay s LEU 116 N 5.04 4.03 -0.31 4.42 2.96 -1.12 -2.99 118.68 130.70 1oay s LEU 116 Ca 0.70 0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1oay s LEU 116 Cb -0.24 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.54 1oay s LEU 116 CO 0.28 0.26 0.07 -0.89 -1.32 0.00 0.00 176.35 174.75 1oay s THR 117 N -0.13 1.33 -0.94 3.68 2.01 -1.18 -2.97 115.64 117.44 1oay s THR 117 Ca 0.08 -1.65 -0.24 0.00 0.31 0.00 0.00 61.69 60.19 1oay s THR 117 Cb -0.12 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.46 1oay s THR 117 CO 0.01 -0.60 1.45 -0.69 -0.69 0.00 0.00 174.62 174.09 1oay s VAL 118 N 1.39 3.83 -0.06 3.82 1.01 -1.26 -3.46 120.40 125.68 1oay s VAL 118 Ca 0.09 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1oay s VAL 118 Cb -0.18 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.25 1oay s VAL 118 CO -0.18 -1.84 -0.24 -0.55 0.00 0.00 0.00 175.10 172.29 1oay s SER 119 N 4.93 2.92 0.56 3.32 0.15 -0.99 -4.69 113.70 119.89 1oay s SER 119 Ca 0.45 -0.49 -0.17 0.00 0.70 0.00 0.00 55.95 56.44 1oay s SER 119 Cb -0.03 -0.86 -0.05 0.00 -1.71 0.00 0.00 66.02 63.37 1oay s SER 119 CO -0.03 0.22 1.05 -0.44 1.20 0.00 0.00 173.24 175.24 1oay s SER 120 N -0.07 6.00 -0.36 5.45 0.01 -1.26 -4.06 113.70 119.40 1oay s SER 120 Ca -0.05 1.82 -0.23 0.00 1.31 0.00 0.00 55.95 58.80 1oay s SER 120 Cb -0.14 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1oay s SER 120 CO 0.04 -1.02 0.79 0.00 0.41 0.00 0.00 173.24 173.46 1oay s ALA 121 N -2.35 3.43 -2.00 1.44 0.00 -1.26 -5.06 121.76 115.96 1oay s ALA 121 Ca 0.64 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 52.05 1oay s ALA 121 Cb -0.16 -3.37 0.58 0.00 0.00 0.00 0.00 23.12 20.18 1oay s ALA 121 CO 0.32 -1.49 1.03 0.00 0.00 0.00 0.00 175.76 175.62