#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oaq s VAL 2 N 0.00 3.87 0.00 6.31 1.01 -1.26 -4.06 120.40 126.27 1oaq s VAL 2 Ca 0.00 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.38 1oaq s VAL 2 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1oaq s VAL 2 CO 0.00 0.13 -0.06 -1.10 0.00 0.00 0.00 175.10 174.07 1oaq s GLN 3 N 0.80 0.50 -0.27 2.72 -0.21 -0.76 -5.00 119.66 117.44 1oaq s GLN 3 Ca 0.58 -0.28 0.02 0.00 0.02 0.00 0.00 55.36 55.70 1oaq s GLN 3 Cb -0.31 -0.46 0.07 0.00 1.00 0.00 0.00 33.01 33.31 1oaq s GLN 3 CO 0.31 0.12 -0.05 -0.51 -2.12 0.00 0.00 175.29 173.04 1oaq s LEU 4 N -0.31 3.47 -0.37 2.90 1.43 -1.26 -1.17 118.68 123.38 1oaq s LEU 4 Ca 0.01 -1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 51.47 1oaq s LEU 4 Cb -0.03 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1oaq s LEU 4 CO -0.00 -0.26 0.20 -1.58 0.23 0.00 0.00 176.35 174.94 1oaq s GLN 5 N 1.16 2.87 0.38 1.70 2.00 -0.02 -4.16 119.66 123.59 1oaq s GLN 5 Ca -0.02 -1.05 -0.01 0.00 -2.00 0.00 0.00 55.36 52.28 1oaq s GLN 5 Cb -0.19 -3.72 -0.03 0.00 0.80 0.00 0.00 33.01 29.86 1oaq s GLN 5 CO -0.07 -0.67 0.61 -0.65 -0.50 0.00 0.00 175.29 174.01 1oaq s GLN 6 N 1.56 3.51 0.94 1.67 -0.21 -1.26 -0.74 119.66 125.12 1oaq s GLN 6 Ca 0.02 -0.18 -0.15 0.00 0.02 0.00 0.00 55.36 55.08 1oaq s GLN 6 Cb -0.19 -2.59 0.16 0.00 1.00 0.00 0.00 33.01 31.40 1oaq s GLN 6 CO 0.07 0.06 1.23 -1.54 -2.12 0.00 0.00 175.29 172.99 1oaq s SER 7 N -4.00 3.35 0.61 5.90 1.04 -0.92 -4.98 113.70 114.71 1oaq s SER 7 Ca 0.42 0.56 -0.12 0.00 0.48 0.00 0.00 55.95 57.30 1oaq s SER 7 Cb -0.10 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.15 1oaq s SER 7 CO 0.38 -2.61 1.03 -0.83 0.98 0.00 0.00 173.24 172.18 1oaq s GLY 8 N -4.57 1.70 0.50 7.32 0.00 -1.26 -4.58 107.32 106.44 1oaq s GLY 8 Ca 0.69 -0.06 -0.22 0.00 0.00 0.00 0.00 44.72 45.13 1oaq s GLY 8 CO 0.52 0.21 1.10 0.00 0.00 0.00 0.00 173.10 174.94 1oaq n ALA 9 N -2.65 0.64 -2.39 3.20 0.00 -1.26 -4.78 120.51 113.27 1oaq n ALA 9 Ca 0.06 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.36 1oaq n ALA 9 Cb 0.54 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 1oaq n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1oaq s GLU 10 N -2.43 1.75 -0.15 0.00 0.41 -0.06 -4.98 118.70 113.22 1oaq s GLU 10 Ca 0.68 -0.92 -0.02 0.00 -0.41 0.00 0.00 54.97 54.30 1oaq s GLU 10 Cb -0.48 -1.78 0.05 0.00 -1.78 0.00 0.00 34.13 30.14 1oaq s GLU 10 CO 0.53 0.48 0.01 -1.17 -0.49 0.00 0.00 175.26 174.62 1oaq s LEU 11 N -0.84 1.05 0.09 1.80 2.96 -1.26 -1.12 118.68 121.36 1oaq s LEU 11 Ca 0.09 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1oaq s LEU 11 Cb -0.09 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1oaq s LEU 11 CO 0.00 -0.26 -0.04 0.68 -1.32 0.00 0.00 176.35 175.41 1oaq s VAL 12 N 1.86 0.51 0.44 1.68 -7.23 -0.47 -5.00 120.40 112.20 1oaq s VAL 12 Ca 0.01 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 1oaq s VAL 12 Cb -0.15 -1.69 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 1oaq s VAL 12 CO -0.07 -0.86 0.93 -0.54 -0.31 0.00 0.00 175.10 174.25 1oaq s LYS 13 N -3.88 4.11 0.32 4.82 1.02 -1.26 -1.83 119.74 123.03 1oaq s LYS 13 Ca 0.12 0.99 -0.28 0.00 0.02 0.00 0.00 55.97 56.82 1oaq s LYS 13 Cb 0.06 -2.21 -0.13 0.00 -0.52 0.00 0.00 37.83 35.03 1oaq s LYS 13 CO -0.05 -0.07 1.11 -2.30 -0.92 0.00 0.00 175.35 173.12 1oaq n PRO 14 N -0.89 1.64 0.00 -1.68 -0.02 -1.26 -2.31 135.00 130.48 1oaq n PRO 14 Ca 0.06 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1oaq n PRO 14 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1oaq n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oaq n GLY 15 N 1.05 3.05 3.83 -1.23 0.00 0.69 -4.90 105.19 107.67 1oaq n GLY 15 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1oaq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oaq s ALA 16 N -2.51 1.83 0.14 4.61 0.00 -0.98 -4.29 121.76 120.57 1oaq s ALA 16 Ca 0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1oaq s ALA 16 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1oaq s ALA 16 CO 0.00 -2.60 -0.17 -1.54 0.00 0.00 0.00 175.76 171.45 1oaq s SER 17 N -4.48 2.47 0.05 0.00 1.04 -1.26 -1.33 113.70 110.17 1oaq s SER 17 Ca 0.70 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1oaq s SER 17 Cb -0.08 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1oaq s SER 17 CO 0.53 -0.05 -0.05 0.68 0.98 0.00 0.00 173.24 175.33 1oaq s VAL 18 N -1.96 0.38 -0.20 5.02 -7.23 -0.66 -5.00 120.40 110.75 1oaq s VAL 18 Ca 0.13 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1oaq s VAL 18 Cb -0.06 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.07 1oaq s VAL 18 CO 0.05 -0.61 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.36 1oaq s LYS 19 N -2.35 2.19 0.09 4.82 2.20 -1.26 -0.86 119.74 124.56 1oaq s LYS 19 Ca -0.05 -0.86 -0.02 0.00 -0.36 0.00 0.00 55.97 54.69 1oaq s LYS 19 Cb -0.04 -2.44 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 1oaq s LYS 19 CO -0.03 -0.39 0.27 -0.51 -0.36 0.00 0.00 175.35 174.33 1oaq s LEU 20 N 1.37 4.32 0.20 5.43 1.43 0.45 -4.94 118.68 126.94 1oaq s LEU 20 Ca -0.01 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 1oaq s LEU 20 Cb -0.16 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 1oaq s LEU 20 CO -0.09 0.12 -0.15 -0.94 0.23 0.00 0.00 176.35 175.53 1oaq s SER 21 N -2.51 2.57 -0.30 2.29 1.04 -1.26 -0.89 113.70 114.64 1oaq s SER 21 Ca 0.37 -1.00 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 1oaq s SER 21 Cb -0.13 -0.14 0.13 0.00 0.10 0.00 0.00 66.02 65.99 1oaq s SER 21 CO 0.27 -0.15 0.29 0.00 0.98 0.00 0.00 173.24 174.62 1oaq s LYS 23 N 2.22 4.18 -0.01 0.00 2.20 0.08 -0.99 119.74 127.42 1oaq s LYS 23 Ca 0.10 0.45 -0.11 0.00 -0.36 0.00 0.00 55.97 56.05 1oaq s LYS 23 Cb -0.14 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 1oaq s LYS 23 CO -0.30 -0.19 0.32 0.00 -0.36 0.00 0.00 175.35 174.82 1oaq s ALA 24 N 1.76 3.77 0.08 3.13 0.00 0.11 -0.84 121.76 129.77 1oaq s ALA 24 Ca 0.25 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 1oaq s ALA 24 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1oaq s ALA 24 CO 0.10 0.56 0.15 -1.54 0.00 0.00 0.00 175.76 175.03 1oaq s SER 25 N -1.28 0.17 0.00 0.00 1.04 -0.31 -4.79 113.70 108.53 1oaq s SER 25 Ca 0.24 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1oaq s SER 25 Cb -0.14 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1oaq s SER 25 CO 0.12 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1oaq n GLY 26 N 0.06 0.70 3.83 7.32 0.00 -1.26 -1.82 105.19 114.02 1oaq n GLY 26 Ca -0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1oaq n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1oaq s TYR 27 N -2.10 -0.13 -0.60 1.61 1.13 -1.26 -4.43 117.35 111.57 1oaq s TYR 27 Ca 0.00 -0.32 -0.27 0.00 -1.41 0.00 0.00 57.07 55.07 1oaq s TYR 27 Cb 0.00 0.71 0.01 0.00 -1.10 0.00 0.00 41.96 41.58 1oaq s TYR 27 CO 0.00 -1.17 1.47 0.99 -2.51 0.00 0.00 175.55 174.32 1oaq s THR 28 N -3.52 3.70 0.23 -3.49 2.01 -1.26 -4.90 115.64 108.41 1oaq s THR 28 Ca 0.12 0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 1oaq s THR 28 Cb -0.05 -4.44 0.19 0.00 0.01 0.00 0.00 72.50 68.21 1oaq s THR 28 CO 0.06 -1.25 1.75 0.15 -0.69 0.00 0.00 174.62 174.65 1oaq h PHE 29 N 11.50 0.56 0.00 4.92 3.57 -1.96 -1.42 116.94 134.11 1oaq h PHE 29 Ca -0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1oaq h PHE 29 Cb 1.10 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1oaq h PHE 29 CO 1.05 0.14 0.00 0.25 -2.23 0.00 0.00 178.31 177.53 1oaq n THR 30 N -4.94 0.26 1.19 4.41 -2.24 -1.26 -2.95 114.28 108.75 1oaq n THR 30 Ca 0.12 0.06 0.13 0.00 -2.27 0.00 0.00 64.05 62.09 1oaq n THR 30 Cb 0.33 -0.70 0.31 0.00 -2.10 0.00 0.00 70.33 68.17 1oaq n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1oaq n SER 31 N -1.24 2.30 -3.91 3.42 7.64 -0.53 -4.26 113.62 117.04 1oaq n SER 31 Ca 0.12 -1.77 -0.22 0.00 1.01 0.00 0.00 58.87 58.01 1oaq n SER 31 Cb 0.16 -0.02 -0.17 0.00 -1.01 0.00 0.00 64.21 63.17 1oaq n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1oaq s TYR 32 N -1.95 0.96 0.48 1.43 1.51 -1.15 -1.06 117.35 117.56 1oaq s TYR 32 Ca 0.33 -0.32 -0.22 0.00 -1.01 0.00 0.00 57.07 55.85 1oaq s TYR 32 Cb 0.20 -0.82 -0.09 0.00 -0.11 0.00 0.00 41.96 41.15 1oaq s TYR 32 CO 0.31 -0.25 0.94 0.91 -1.11 0.00 0.00 175.55 176.35 1oaq n TRP 33 N 4.20 0.87 -4.13 2.71 7.02 0.34 -4.40 117.44 124.06 1oaq n TRP 33 Ca -0.21 0.52 -0.34 0.00 -1.02 0.00 0.00 57.50 56.44 1oaq n TRP 33 Cb 0.51 -2.18 -0.14 0.00 -2.42 0.00 0.00 31.31 27.08 1oaq n TRP 33 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1oaq s MET 34 N -2.19 3.34 0.05 -0.99 1.75 -0.34 -1.50 119.30 119.42 1oaq s MET 34 Ca 0.67 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 54.45 1oaq s MET 34 Cb -0.51 -2.87 -0.04 0.00 2.84 0.00 0.00 34.83 34.25 1oaq s MET 34 CO 0.54 -0.10 0.16 -1.01 -0.65 0.00 0.00 175.02 173.96 1oaq s HIS 35 N 1.19 3.42 -0.03 4.11 3.76 0.41 -0.68 115.29 127.46 1oaq s HIS 35 Ca 0.02 0.21 0.06 0.00 -0.15 0.00 0.00 55.06 55.20 1oaq s HIS 35 Cb -0.14 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 1oaq s HIS 35 CO -0.03 0.58 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.66 1oaq s TRP 36 N -1.43 1.91 -0.00 1.40 0.52 -0.59 -1.13 118.94 119.61 1oaq s TRP 36 Ca 0.32 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1oaq s TRP 36 Cb -0.13 -1.25 -0.00 0.00 -1.15 0.00 0.00 33.47 30.94 1oaq s TRP 36 CO 0.24 -0.10 -0.04 0.08 0.02 0.00 0.00 176.95 177.15 1oaq s VAL 37 N -0.28 0.35 -0.18 4.03 1.01 -0.19 -1.07 120.40 124.06 1oaq s VAL 37 Ca 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 1oaq s VAL 37 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1oaq s VAL 37 CO 0.01 0.06 -0.01 -0.75 0.00 0.00 0.00 175.10 174.42 1oaq s LYS 38 N -0.20 3.68 -0.24 2.72 2.20 0.20 -1.03 119.74 127.08 1oaq s LYS 38 Ca 0.01 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1oaq s LYS 38 Cb -0.02 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 1oaq s LYS 38 CO -0.00 0.13 -0.10 -1.14 -0.36 0.00 0.00 175.35 173.88 1oaq s GLN 39 N 0.68 2.69 -0.05 4.03 0.74 0.55 -0.25 119.66 128.05 1oaq s GLN 39 Ca -0.00 -1.06 0.04 0.00 0.05 0.00 0.00 55.36 54.39 1oaq s GLN 39 Cb -0.14 -2.87 -0.00 0.00 1.10 0.00 0.00 33.01 31.09 1oaq s GLN 39 CO 0.02 -0.41 -0.18 1.03 -0.55 0.00 0.00 175.29 175.20 1oaq s ARG 40 N 1.25 1.90 0.20 1.67 0.52 -1.24 -1.25 118.95 122.00 1oaq s ARG 40 Ca -0.01 -0.65 -0.32 0.00 -0.52 0.00 0.00 55.73 54.23 1oaq s ARG 40 Cb -0.17 -1.63 -0.14 0.00 0.52 0.00 0.00 34.95 33.53 1oaq s ARG 40 CO -0.06 0.26 1.42 -2.30 0.02 0.00 0.00 175.30 174.64 1oaq n PRO 41 N 3.14 1.93 0.00 3.54 -0.02 -1.26 -1.03 135.00 141.29 1oaq n PRO 41 Ca -0.18 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1oaq n PRO 41 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1oaq n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oaq n GLY 42 N 2.49 1.88 0.17 -1.23 0.00 -1.26 -4.85 105.19 102.39 1oaq n GLY 42 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1oaq n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oaq n ARG 43 N -2.00 1.09 0.00 1.61 5.12 -0.20 -5.09 116.66 117.19 1oaq n ARG 43 Ca 0.00 -2.38 0.00 0.00 -1.93 0.00 0.00 57.85 53.54 1oaq n ARG 43 Cb 0.00 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1oaq n ARG 43 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1oaq n GLY 44 N -1.19 3.06 3.61 -0.13 0.00 -1.23 -4.32 105.19 104.98 1oaq n GLY 44 Ca 0.14 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1oaq n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oaq s LEU 45 N 0.00 3.26 -0.13 0.99 1.43 -1.26 -3.73 118.68 119.24 1oaq s LEU 45 Ca 0.00 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1oaq s LEU 45 Cb 0.00 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1oaq s LEU 45 CO 0.00 0.34 -0.15 -0.70 0.23 0.00 0.00 176.35 176.07 1oaq s GLU 46 N -1.00 2.30 0.10 1.70 2.12 0.65 -4.97 118.70 119.60 1oaq s GLU 46 Ca 0.14 -0.58 -0.31 0.00 0.36 0.00 0.00 54.97 54.59 1oaq s GLU 46 Cb -0.11 -2.01 -0.07 0.00 0.26 0.00 0.00 34.13 32.20 1oaq s GLU 46 CO 0.03 -0.13 1.23 -0.46 -0.54 0.00 0.00 175.26 175.40 1oaq s TRP 47 N 1.18 3.40 -0.21 5.30 -0.00 -1.26 -0.63 118.94 126.72 1oaq s TRP 47 Ca -0.02 1.27 -0.18 0.00 -0.00 0.00 0.00 56.10 57.16 1oaq s TRP 47 Cb -0.14 -3.47 -0.19 0.00 -0.00 0.00 0.00 33.47 29.67 1oaq s TRP 47 CO -0.05 -1.46 0.16 -0.89 -0.00 0.00 0.00 176.95 174.71 1oaq n ILE 48 N 3.63 1.57 -1.68 5.86 5.41 -0.23 -4.54 119.36 129.37 1oaq n ILE 48 Ca 0.08 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1oaq n ILE 48 Cb 0.45 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 1oaq n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oaq n GLY 49 N 1.50 -1.98 3.12 7.39 0.00 -1.20 -1.12 105.19 112.90 1oaq n GLY 49 Ca -0.35 -1.19 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 1oaq n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1oaq s ARG 50 N -1.78 0.69 0.01 1.61 1.70 -0.20 -1.54 118.95 119.44 1oaq s ARG 50 Ca 0.00 -1.22 0.03 0.00 -0.47 0.00 0.00 55.73 54.07 1oaq s ARG 50 Cb 0.00 0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.37 1oaq s ARG 50 CO 0.00 -0.06 -0.09 -1.50 -1.08 0.00 0.00 175.30 172.57 1oaq s ILE 51 N -3.57 0.73 -0.42 4.99 2.07 0.14 -1.73 121.20 123.41 1oaq s ILE 51 Ca 0.07 -0.59 -0.21 0.00 -1.41 0.00 0.00 60.65 58.51 1oaq s ILE 51 Cb 0.05 -0.65 0.02 0.00 0.13 0.00 0.00 42.46 42.01 1oaq s ILE 51 CO -0.07 0.07 0.67 -0.62 -1.91 0.00 0.00 174.94 173.08 1oaq s ASP 52 N -0.58 6.37 0.34 4.50 -1.08 -0.23 -1.19 116.67 124.79 1oaq s ASP 52 Ca 0.01 -0.15 0.25 0.00 -0.52 0.00 0.00 52.55 52.14 1oaq s ASP 52 Cb -0.05 -2.34 1.20 0.00 -1.46 0.00 0.00 42.92 40.27 1oaq s ASP 52 CO 0.00 -0.76 1.76 -0.65 0.52 0.00 0.00 175.17 176.04 1oaq h PRO 53 N 8.78 0.00 -4.62 4.34 0.11 -1.84 0.20 132.00 138.97 1oaq h PRO 53 Ca -0.26 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 65.12 1oaq h PRO 53 Cb 1.10 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.02 1oaq h PRO 53 CO 0.89 0.00 1.11 1.21 -0.21 0.00 0.00 178.00 181.01 1oaq s ASN 54 N -4.32 7.02 0.00 -2.05 3.84 -1.26 -4.04 114.94 114.13 1oaq s ASN 54 Ca 0.00 -2.91 0.00 0.00 0.21 0.00 0.00 52.86 50.16 1oaq s ASN 54 Cb 0.08 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 1oaq s ASN 54 CO 0.32 -0.73 0.00 0.61 -2.79 0.00 0.00 177.10 174.50 1oaq n GLY 55 N 4.15 1.62 2.29 1.21 0.00 -1.25 -4.72 105.19 108.49 1oaq n GLY 55 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 1oaq n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oaq n GLY 56 N -0.60 1.08 3.75 -0.02 0.00 0.70 -4.98 105.19 105.12 1oaq n GLY 56 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1oaq n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oaq s GLY 57 N -2.86 2.54 0.20 -0.02 0.00 -1.21 -4.71 107.32 101.27 1oaq s GLY 57 Ca 0.00 1.27 0.10 0.00 0.00 0.00 0.00 44.72 46.09 1oaq s GLY 57 CO 0.00 2.14 -0.17 -0.51 0.00 0.00 0.00 173.10 174.56 1oaq s THR 58 N -0.30 2.74 -0.04 0.90 -4.23 -1.26 -1.06 115.64 112.39 1oaq s THR 58 Ca 0.56 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 1oaq s THR 58 Cb -0.40 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1oaq s THR 58 CO 0.45 -0.16 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.59 1oaq s LYS 59 N -2.89 0.56 0.10 3.99 2.47 -0.71 -5.01 119.74 118.25 1oaq s LYS 59 Ca 0.24 -0.02 0.07 0.00 -1.56 0.00 0.00 55.97 54.71 1oaq s LYS 59 Cb -0.08 -0.65 -0.04 0.00 -1.46 0.00 0.00 37.83 35.60 1oaq s LYS 59 CO 0.13 -0.10 -0.12 0.71 0.16 0.00 0.00 175.35 176.12 1oaq s TYR 60 N 0.95 2.68 0.10 4.03 1.51 -1.26 -1.03 117.35 124.33 1oaq s TYR 60 Ca -0.11 -0.18 -0.33 0.00 -1.01 0.00 0.00 57.07 55.44 1oaq s TYR 60 Cb -0.14 -1.42 -0.12 0.00 -0.11 0.00 0.00 41.96 40.16 1oaq s TYR 60 CO -0.01 0.40 1.72 -1.71 -1.11 0.00 0.00 175.55 174.85 1oaq n ASN 61 N 0.82 3.49 0.09 2.29 2.85 -0.28 -4.89 115.26 119.63 1oaq n ASN 61 Ca -0.14 1.03 0.16 0.00 -0.11 0.00 0.00 54.58 55.52 1oaq n ASN 61 Cb 0.52 -1.46 0.69 0.00 1.24 0.00 0.00 39.78 40.77 1oaq n ASN 61 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1oaq h GLU 62 N 7.39 0.00 -0.16 1.20 4.11 -1.94 0.47 114.58 125.66 1oaq h GLU 62 Ca -0.46 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.02 1oaq h GLU 62 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1oaq h GLU 62 CO 0.92 0.00 0.17 -0.22 0.07 0.00 0.00 179.01 179.95 1oaq h LYS 63 N 0.00 0.00 -0.17 1.06 3.64 -1.95 -2.53 116.57 116.62 1oaq h LYS 63 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1oaq h LYS 63 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1oaq h LYS 63 CO -0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 1oaq n PHE 64 N -3.88 0.21 -0.29 1.91 3.72 0.14 -4.67 117.46 114.61 1oaq n PHE 64 Ca 0.01 -0.19 0.04 0.00 -0.05 0.00 0.00 57.45 57.25 1oaq n PHE 64 Cb 0.28 -0.01 0.18 0.00 -0.94 0.00 0.00 39.48 38.99 1oaq n PHE 64 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1oaq h LYS 65 N 2.50 0.72 -0.56 -1.08 2.10 -1.31 -0.77 116.57 118.17 1oaq h LYS 65 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1oaq h LYS 65 Cb 0.63 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1oaq h LYS 65 CO 0.00 0.47 0.00 -1.13 -2.00 0.00 0.00 179.45 176.79 1oaq n SER 66 N -4.78 3.01 -0.02 7.07 3.41 -1.26 -4.41 113.62 116.64 1oaq n SER 66 Ca 0.14 -2.04 -0.03 0.00 -0.26 0.00 0.00 58.87 56.68 1oaq n SER 66 Cb 0.31 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1oaq n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1oaq n LYS 67 N 1.06 0.08 -4.19 4.33 3.00 -0.45 -4.89 118.16 117.09 1oaq n LYS 67 Ca 0.18 0.03 -0.33 0.00 -0.00 0.00 0.00 58.31 58.20 1oaq n LYS 67 Cb 0.49 -0.76 -0.08 0.00 0.00 0.00 0.00 35.03 34.68 1oaq n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1oaq s ALA 68 N -2.07 3.42 -0.17 3.14 0.00 -0.42 -1.30 121.76 124.37 1oaq s ALA 68 Ca -0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1oaq s ALA 68 Cb 0.02 -1.44 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1oaq s ALA 68 CO 0.07 0.67 -0.04 0.99 0.00 0.00 0.00 175.76 177.45 1oaq s THR 69 N -1.15 1.05 -0.16 0.00 2.01 -0.03 -4.81 115.64 112.54 1oaq s THR 69 Ca 0.21 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1oaq s THR 69 Cb -0.12 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 1oaq s THR 69 CO 0.12 0.08 0.16 -0.76 -0.69 0.00 0.00 174.62 173.54 1oaq s LEU 70 N 1.65 4.28 0.20 4.42 1.43 -1.26 -0.84 118.68 128.56 1oaq s LEU 70 Ca 0.00 0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1oaq s LEU 70 Cb -0.16 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1oaq s LEU 70 CO -0.07 0.24 0.10 0.42 0.23 0.00 0.00 176.35 177.27 1oaq s THR 71 N -0.10 0.24 0.13 5.49 -4.23 -0.68 -4.98 115.64 111.51 1oaq s THR 71 Ca 0.12 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1oaq s THR 71 Cb -0.12 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1oaq s THR 71 CO 0.01 -0.11 -0.07 0.68 -0.54 0.00 0.00 174.62 174.59 1oaq s VAL 72 N -3.98 0.88 -0.26 2.29 -7.23 -1.26 -0.69 120.40 110.14 1oaq s VAL 72 Ca 0.35 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1oaq s VAL 72 Cb 0.07 -1.82 0.07 0.00 0.56 0.00 0.00 36.38 35.26 1oaq s VAL 72 CO 0.10 -0.76 -0.07 -0.62 -0.31 0.00 0.00 175.10 173.44 1oaq s ASP 73 N -3.11 4.26 0.10 4.85 2.15 0.33 -4.98 116.67 120.27 1oaq s ASP 73 Ca 0.16 -1.41 -0.18 0.00 0.43 0.00 0.00 52.55 51.55 1oaq s ASP 73 Cb 0.04 -1.41 -0.06 0.00 -0.30 0.00 0.00 42.92 41.20 1oaq s ASP 73 CO -0.01 -0.23 1.61 0.11 -0.17 0.00 0.00 175.17 176.48 1oaq h LYS 74 N 7.83 0.45 -0.03 4.34 1.57 -1.89 -2.06 116.57 126.77 1oaq h LYS 74 Ca -0.17 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1oaq h LYS 74 Cb 1.05 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 1oaq h LYS 74 CO 0.45 0.51 0.02 -1.35 -0.57 0.00 0.00 179.45 178.51 1oaq h PRO 75 N 0.30 0.00 -0.63 3.15 0.11 -1.96 -1.64 132.00 131.32 1oaq h PRO 75 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1oaq h PRO 75 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1oaq h PRO 75 CO -0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 1oaq n SER 76 N -4.49 3.79 -3.94 -2.05 3.41 -1.16 -4.97 113.62 104.20 1oaq n SER 76 Ca -0.02 -1.99 -0.30 0.00 -0.26 0.00 0.00 58.87 56.29 1oaq n SER 76 Cb 0.12 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 63.67 1oaq n SER 76 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1oaq n SER 77 N 1.56 -3.84 -4.16 4.04 2.88 -0.62 -4.77 113.62 108.71 1oaq n SER 77 Ca 0.23 -0.84 -0.27 0.00 -1.33 0.00 0.00 58.87 56.66 1oaq n SER 77 Cb 0.61 -3.67 -0.16 0.00 -0.75 0.00 0.00 64.21 60.24 1oaq n SER 77 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1oaq s THR 78 N -3.39 1.50 -0.03 2.46 2.01 -0.94 -0.71 115.64 116.53 1oaq s THR 78 Ca 0.56 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 1oaq s THR 78 Cb -0.28 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1oaq s THR 78 CO 0.85 0.43 0.10 0.00 -0.69 0.00 0.00 174.62 175.30 1oaq s ALA 79 N -0.06 3.66 0.11 7.40 0.00 -0.16 -0.52 121.76 132.20 1oaq s ALA 79 Ca -0.02 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.21 1oaq s ALA 79 Cb -0.11 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1oaq s ALA 79 CO 0.02 0.68 -0.19 0.71 0.00 0.00 0.00 175.76 176.98 1oaq s TYR 80 N -1.15 1.65 -0.10 0.00 2.02 0.13 -0.61 117.35 119.28 1oaq s TYR 80 Ca 0.21 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1oaq s TYR 80 Cb -0.12 -0.89 0.04 0.00 -0.40 0.00 0.00 41.96 40.59 1oaq s TYR 80 CO 0.12 0.19 0.02 1.41 -1.57 0.00 0.00 175.55 175.72 1oaq s MET 81 N -2.09 0.47 -0.09 -0.62 -2.45 -0.07 -1.69 119.30 112.75 1oaq s MET 81 Ca 0.06 0.04 -0.11 0.00 -1.25 0.00 0.00 55.69 54.43 1oaq s MET 81 Cb -0.09 -1.19 -0.05 0.00 1.25 0.00 0.00 34.83 34.76 1oaq s MET 81 CO 0.04 -0.40 0.25 -1.14 1.05 0.00 0.00 175.02 174.82 1oaq s GLN 82 N 2.00 3.77 -0.12 4.11 0.74 -0.02 -0.41 119.66 129.72 1oaq s GLN 82 Ca 0.04 0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.55 1oaq s GLN 82 Cb -0.13 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.73 1oaq s GLN 82 CO -0.06 0.64 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.60 1oaq s LEU 83 N -0.73 2.02 0.25 3.68 1.43 -0.04 -0.85 118.68 124.44 1oaq s LEU 83 Ca 0.18 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1oaq s LEU 83 Cb -0.14 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1oaq s LEU 83 CO 0.07 0.09 0.14 -0.44 0.23 0.00 0.00 176.35 176.44 1oaq s SER 84 N 0.70 5.28 -1.20 2.29 0.01 -0.42 -1.65 113.70 118.71 1oaq s SER 84 Ca -0.11 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 56.58 1oaq s SER 84 Cb -0.16 -1.27 0.01 0.00 0.21 0.00 0.00 66.02 64.81 1oaq s SER 84 CO 0.01 -0.02 0.70 -1.20 0.41 0.00 0.00 173.24 173.14 1oaq n SER 85 N -1.05 -4.26 -4.77 2.44 7.64 -1.16 -4.80 113.62 107.66 1oaq n SER 85 Ca -0.08 -1.12 -0.39 0.00 1.01 0.00 0.00 58.87 58.29 1oaq n SER 85 Cb 0.58 -2.73 -0.03 0.00 -1.01 0.00 0.00 64.21 61.02 1oaq n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1oaq s LEU 86 N -6.88 4.35 0.39 -3.43 1.43 -0.44 -4.63 118.68 109.47 1oaq s LEU 86 Ca 0.42 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.99 1oaq s LEU 86 Cb -0.18 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.19 1oaq s LEU 86 CO 0.91 -0.50 0.11 0.42 0.23 0.00 0.00 176.35 177.52 1oaq s THR 87 N -1.27 0.70 0.43 5.49 -4.23 -1.26 -0.22 115.64 115.28 1oaq s THR 87 Ca 0.51 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.33 1oaq s THR 87 Cb -0.34 -2.43 0.33 0.00 1.34 0.00 0.00 72.50 71.40 1oaq s THR 87 CO 0.43 0.00 2.12 0.77 -0.54 0.00 0.00 174.62 177.40 1oaq h SER 88 N 1.86 0.00 0.41 3.99 4.64 -1.97 -0.49 113.55 121.99 1oaq h SER 88 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1oaq h SER 88 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1oaq h SER 88 CO 0.59 0.08 0.00 -0.33 -0.87 0.00 0.00 176.83 176.30 1oaq h GLU 89 N 0.00 0.00 -0.00 4.77 4.39 -1.96 -1.91 114.58 119.87 1oaq h GLU 89 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1oaq h GLU 89 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1oaq h GLU 89 CO 0.01 0.00 -0.19 -0.25 -1.16 0.00 0.00 179.01 177.42 1oaq n ASP 90 N -2.78 0.35 -4.69 1.42 8.00 -0.19 -4.85 116.55 113.81 1oaq n ASP 90 Ca -0.01 -0.17 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 1oaq n ASP 90 Cb 0.16 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1oaq n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1oaq s SER 91 N -2.78 6.84 -0.06 -2.24 0.01 -0.72 -4.85 113.70 109.90 1oaq s SER 91 Ca 0.19 2.14 -0.32 0.00 1.31 0.00 0.00 55.95 59.28 1oaq s SER 91 Cb 0.19 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.99 1oaq s SER 91 CO 0.56 -0.72 1.37 0.00 0.41 0.00 0.00 173.24 174.86 1oaq s ALA 92 N 2.33 -2.44 -0.17 1.44 0.00 -0.33 -4.87 121.76 117.72 1oaq s ALA 92 Ca 0.64 0.74 -0.12 0.00 0.00 0.00 0.00 51.96 53.23 1oaq s ALA 92 Cb -0.32 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1oaq s ALA 92 CO 0.27 -1.07 0.22 0.08 0.00 0.00 0.00 175.76 175.26 1oaq s VAL 93 N -2.16 5.35 -0.07 0.00 1.01 -0.38 -0.98 120.40 123.17 1oaq s VAL 93 Ca 0.17 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1oaq s VAL 93 Cb 0.06 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1oaq s VAL 93 CO -0.05 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.09 1oaq s TYR 94 N 0.30 2.91 0.09 5.22 2.02 -0.17 -0.33 117.35 127.39 1oaq s TYR 94 Ca 0.13 -0.04 0.07 0.00 -0.37 0.00 0.00 57.07 56.86 1oaq s TYR 94 Cb -0.12 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1oaq s TYR 94 CO 0.02 0.27 -0.19 0.71 -1.57 0.00 0.00 175.55 174.79 1oaq s TYR 95 N -0.69 1.64 0.09 2.71 2.02 -0.20 -0.74 117.35 122.19 1oaq s TYR 95 Ca 0.10 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1oaq s TYR 95 Cb -0.11 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.50 1oaq s TYR 95 CO 0.02 0.16 -0.00 0.00 -1.57 0.00 0.00 175.55 174.16 1oaq s ALA 97 N -1.32 -1.12 0.31 0.00 0.00 -0.29 -0.75 121.76 118.61 1oaq s ALA 97 Ca 0.26 1.38 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 1oaq s ALA 97 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1oaq s ALA 97 CO 0.18 -0.23 0.53 -0.98 0.00 0.00 0.00 175.76 175.26 1oaq s ARG 98 N 0.64 3.52 -0.11 0.00 1.70 -1.04 -0.45 118.95 123.22 1oaq s ARG 98 Ca -0.03 -0.26 -0.08 0.00 -0.47 0.00 0.00 55.73 54.88 1oaq s ARG 98 Cb -0.05 -2.69 0.04 0.00 -0.57 0.00 0.00 34.95 31.68 1oaq s ARG 98 CO -0.04 0.20 0.28 1.41 -1.08 0.00 0.00 175.30 176.07 1oaq s MET 99 N -4.00 0.30 0.46 3.89 1.75 -0.56 -3.91 119.30 117.23 1oaq s MET 99 Ca 0.41 0.46 -0.24 0.00 -1.25 0.00 0.00 55.69 55.07 1oaq s MET 99 Cb -0.10 0.06 -0.07 0.00 2.84 0.00 0.00 34.83 37.56 1oaq s MET 99 CO 0.34 -0.08 1.25 -0.46 -0.65 0.00 0.00 175.02 175.41 1oaq s TRP 100 N 0.57 2.73 -0.03 4.11 -0.00 -1.26 -0.50 118.94 124.56 1oaq s TRP 100 Ca -0.03 1.47 0.23 0.00 -0.00 0.00 0.00 56.10 57.76 1oaq s TRP 100 Cb -0.05 -3.56 0.71 0.00 -0.00 0.00 0.00 33.47 30.57 1oaq s TRP 100 CO -0.03 -1.98 1.73 -0.92 -0.00 0.00 0.00 176.95 175.75 1oaq h TYR 101 N 2.12 0.00 -0.95 5.86 3.20 -1.41 -3.37 116.97 122.42 1oaq h TYR 101 Ca -0.50 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.73 1oaq h TYR 101 Cb 1.26 0.00 -0.31 0.00 1.54 0.00 0.00 36.73 39.22 1oaq h TYR 101 CO 0.52 0.21 0.58 0.66 -1.64 0.00 0.00 178.16 178.48 1oaq n TYR 102 N -3.26 3.11 -0.55 -3.82 4.02 -1.26 -4.88 117.16 110.52 1oaq n TYR 102 Ca 0.01 -2.82 0.00 0.00 -0.01 0.00 0.00 57.90 55.08 1oaq n TYR 102 Cb 0.49 -1.23 0.00 0.00 -0.02 0.00 0.00 39.34 38.58 1oaq n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1oaq n GLY 103 N -0.90 0.94 3.81 2.72 0.00 -1.26 -5.07 105.19 105.43 1oaq n GLY 103 Ca 0.59 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1oaq n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oaq s THR 104 N -2.00 4.47 -0.01 2.61 -4.23 -1.26 -5.04 115.64 110.18 1oaq s THR 104 Ca 0.00 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1oaq s THR 104 Cb 0.00 -3.35 0.03 0.00 1.34 0.00 0.00 72.50 70.52 1oaq s THR 104 CO 0.00 -0.22 0.77 -1.22 -0.54 0.00 0.00 174.62 173.41 1oaq n TYR 105 N -0.74 0.00 -3.58 3.99 4.02 -1.26 -4.32 117.16 115.27 1oaq n TYR 105 Ca -0.08 -0.21 -0.33 0.00 -0.01 0.00 0.00 57.90 57.27 1oaq n TYR 105 Cb 0.56 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.80 1oaq n TYR 105 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1oaq s TYR 106 N -0.49 3.53 0.70 -0.72 -0.85 -1.26 -5.07 117.35 113.18 1oaq s TYR 106 Ca 0.03 0.74 -0.12 0.00 -0.52 0.00 0.00 57.07 57.20 1oaq s TYR 106 Cb 0.02 -2.13 0.01 0.00 0.38 0.00 0.00 41.96 40.24 1oaq s TYR 106 CO 0.00 0.46 1.07 -0.06 -1.52 0.00 0.00 175.55 175.50 1oaq s PHE 107 N -1.53 2.96 0.01 -3.49 0.08 -1.26 -4.49 117.98 110.26 1oaq s PHE 107 Ca 0.37 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.89 1oaq s PHE 107 Cb -0.13 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1oaq s PHE 107 CO 0.20 -1.36 0.00 -0.40 -0.10 0.00 0.00 175.22 173.56 1oaq n ASP 108 N -3.05 0.01 -4.74 1.36 5.68 -1.25 -5.07 116.55 109.49 1oaq n ASP 108 Ca 0.08 0.01 -0.37 0.00 -0.50 0.00 0.00 54.79 54.02 1oaq n ASP 108 Cb 0.53 0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.45 1oaq n ASP 108 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1oaq s TYR 109 N -1.04 3.48 0.11 2.11 2.02 -1.26 -5.03 117.35 117.74 1oaq s TYR 109 Ca 0.00 0.64 0.09 0.00 -0.37 0.00 0.00 57.07 57.42 1oaq s TYR 109 Cb 0.00 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.17 1oaq s TYR 109 CO 0.00 0.26 -0.18 -1.58 -1.57 0.00 0.00 175.55 172.48 1oaq s TRP 110 N 0.38 2.55 1.01 2.71 0.52 -1.26 -2.48 118.94 122.36 1oaq s TRP 110 Ca 0.18 -0.26 -0.12 0.00 0.02 0.00 0.00 56.10 55.91 1oaq s TRP 110 Cb -0.13 -1.36 0.19 0.00 -1.15 0.00 0.00 33.47 31.02 1oaq s TRP 110 CO 0.05 0.37 1.09 0.20 0.02 0.00 0.00 176.95 178.68 1oaq s GLY 111 N -2.06 1.56 0.00 0.98 0.00 0.07 -4.68 107.32 103.20 1oaq s GLY 111 Ca 0.18 -0.35 0.29 0.00 0.00 0.00 0.00 44.72 44.84 1oaq s GLY 111 CO 0.10 0.27 1.88 -1.06 0.00 0.00 0.00 173.10 174.29 1oaq n GLN 112 N -4.22 0.97 0.00 2.90 6.02 -1.26 -4.79 117.38 116.99 1oaq n GLN 112 Ca 0.05 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 1oaq n GLN 112 Cb 0.57 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1oaq n GLN 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1oaq n GLY 113 N 1.21 -0.23 3.02 1.08 0.00 -1.26 -5.03 105.19 103.98 1oaq n GLY 113 Ca 0.17 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 1oaq n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oaq s THR 114 N -2.98 1.32 0.15 2.61 2.01 0.08 -4.84 115.64 113.98 1oaq s THR 114 Ca 0.00 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 1oaq s THR 114 Cb 0.00 -1.22 -0.07 0.00 0.01 0.00 0.00 72.50 71.22 1oaq s THR 114 CO 0.00 0.41 1.02 -0.89 -0.69 0.00 0.00 174.62 174.46 1oaq s THR 115 N 1.04 4.21 -0.11 -0.82 2.01 -1.26 -1.00 115.64 119.70 1oaq s THR 115 Ca -0.06 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.85 1oaq s THR 115 Cb -0.15 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.16 1oaq s THR 115 CO -0.02 0.31 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.78 1oaq s LEU 116 N -0.21 2.15 -0.11 4.42 2.96 -0.15 -0.89 118.68 126.84 1oaq s LEU 116 Ca 0.48 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 1oaq s LEU 116 Cb -0.26 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.00 1oaq s LEU 116 CO 0.32 0.14 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.40 1oaq s THR 117 N 0.48 1.79 -0.26 3.68 2.01 -0.28 -1.19 115.64 121.88 1oaq s THR 117 Ca -0.15 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1oaq s THR 117 Cb -0.17 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.77 1oaq s THR 117 CO 0.06 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.76 1oaq s VAL 118 N 0.75 3.14 -0.08 3.82 1.01 -1.26 -1.37 120.40 126.41 1oaq s VAL 118 Ca -0.10 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1oaq s VAL 118 Cb -0.16 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1oaq s VAL 118 CO 0.01 0.19 0.44 -0.55 0.00 0.00 0.00 175.10 175.19 1oaq s SER 119 N 1.37 -0.39 0.00 3.32 0.15 -0.76 -4.27 113.70 113.12 1oaq s SER 119 Ca 0.01 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1oaq s SER 119 Cb -0.17 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1oaq s SER 119 CO -0.03 -0.37 0.00 -1.54 1.20 0.00 0.00 173.24 172.50