#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oaq n ALA 2 N 0.00 1.22 -3.39 1.69 0.00 -1.26 -5.01 120.51 113.76 1oaq n ALA 2 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 1oaq n ALA 2 Cb 0.00 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.02 1oaq n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1oaq s VAL 3 N -1.32 3.12 -0.23 0.00 1.01 -1.26 -5.00 120.40 116.72 1oaq s VAL 3 Ca 0.71 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1oaq s VAL 3 Cb -0.43 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1oaq s VAL 3 CO 0.50 0.48 0.04 -0.69 0.00 0.00 0.00 175.10 175.42 1oaq s VAL 4 N 0.97 4.14 -0.08 2.92 1.01 -1.26 -1.17 120.40 126.93 1oaq s VAL 4 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1oaq s VAL 4 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1oaq s VAL 4 CO -0.01 0.39 -0.19 -0.89 0.00 0.00 0.00 175.10 174.40 1oaq s THR 5 N 1.30 2.58 0.18 3.92 2.01 -0.27 -3.59 115.64 121.78 1oaq s THR 5 Ca 0.04 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.26 1oaq s THR 5 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1oaq s THR 5 CO 0.02 0.56 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.25 1oaq s GLN 6 N -0.15 1.29 0.22 4.92 -0.21 -1.26 -1.26 119.66 123.21 1oaq s GLN 6 Ca -0.02 -1.47 -0.32 0.00 0.02 0.00 0.00 55.36 53.57 1oaq s GLN 6 Cb -0.14 -1.25 -0.14 0.00 1.00 0.00 0.00 33.01 32.48 1oaq s GLN 6 CO 0.04 0.24 1.35 0.39 -2.12 0.00 0.00 175.29 175.18 1oaq n GLU 7 N 0.04 1.80 -0.21 2.91 4.71 -1.26 -4.83 120.64 123.80 1oaq n GLU 7 Ca -0.11 0.64 -0.09 0.00 -0.01 0.00 0.00 57.16 57.59 1oaq n GLU 7 Cb 0.58 -2.26 0.02 0.00 -1.01 0.00 0.00 31.44 28.78 1oaq n GLU 7 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1oaq h SER 8 N 4.04 0.99 -4.17 1.62 4.64 -1.96 -3.32 113.55 115.39 1oaq h SER 8 Ca -0.45 -0.29 -0.11 0.00 -0.47 0.00 0.00 61.79 60.47 1oaq h SER 8 Cb 1.29 -0.27 -0.23 0.00 -0.31 0.00 0.00 62.40 62.89 1oaq h SER 8 CO 0.75 1.04 -0.18 0.00 -0.87 0.00 0.00 176.83 177.57 1oaq s ALA 9 N -5.07 -1.09 0.00 5.18 0.00 -1.26 -1.83 121.76 117.69 1oaq s ALA 9 Ca -0.12 1.09 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1oaq s ALA 9 Cb 0.13 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1oaq s ALA 9 CO 0.84 -0.23 -0.07 -1.17 0.00 0.00 0.00 175.76 175.13 1oaq s LEU 10 N -0.15 2.05 -0.08 0.00 1.98 -0.38 -4.93 118.68 117.18 1oaq s LEU 10 Ca -0.03 -0.19 0.03 0.00 -2.89 0.00 0.00 54.13 51.04 1oaq s LEU 10 Cb -0.03 -0.32 -0.02 0.00 0.66 0.00 0.00 46.19 46.48 1oaq s LEU 10 CO 0.02 0.04 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.46 1oaq s THR 11 N -0.36 2.78 0.27 3.68 2.01 -1.26 -1.09 115.64 121.67 1oaq s THR 11 Ca 0.01 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1oaq s THR 11 Cb -0.04 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1oaq s THR 11 CO -0.00 0.56 0.10 0.28 -0.69 0.00 0.00 174.62 174.87 1oaq s THR 12 N -0.23 0.58 0.22 -0.82 -1.32 -0.38 -4.97 115.64 108.72 1oaq s THR 12 Ca 0.00 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.56 1oaq s THR 12 Cb -0.13 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 1oaq s THR 12 CO 0.03 0.00 0.07 -0.94 -2.21 0.00 0.00 174.62 171.57 1oaq s SER 13 N -3.34 4.99 0.23 8.08 1.04 -1.26 -1.46 113.70 121.98 1oaq s SER 13 Ca 0.37 -0.41 -0.31 0.00 0.48 0.00 0.00 55.95 56.08 1oaq s SER 13 Cb 0.08 -1.12 -0.13 0.00 0.10 0.00 0.00 66.02 64.95 1oaq s SER 13 CO 0.14 0.02 1.44 -2.65 0.98 0.00 0.00 173.24 173.18 1oaq n PRO 14 N -0.68 2.11 -0.04 4.02 -0.02 -1.26 -2.46 135.00 136.66 1oaq n PRO 14 Ca -0.08 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1oaq n PRO 14 Cb 0.57 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 2.30 1.11 3.83 -1.23 0.00 0.18 -4.88 105.19 106.50 1oaq n GLY 15 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1oaq n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oaq s GLU 16 N -0.61 3.29 -0.29 1.61 0.41 -1.03 -4.16 118.70 117.92 1oaq s GLU 16 Ca 0.00 0.95 -0.13 0.00 -0.41 0.00 0.00 54.97 55.39 1oaq s GLU 16 Cb 0.00 -2.04 -0.04 0.00 -1.78 0.00 0.00 34.13 30.27 1oaq s GLU 16 CO 0.00 -0.82 0.27 0.99 -0.49 0.00 0.00 175.26 175.21 1oaq s THR 17 N -2.91 5.25 0.02 3.63 2.01 -1.26 -0.82 115.64 121.56 1oaq s THR 17 Ca 0.58 0.25 0.06 0.00 0.31 0.00 0.00 61.69 62.90 1oaq s THR 17 Cb -0.13 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1oaq s THR 17 CO 0.48 0.17 -0.18 0.54 -0.69 0.00 0.00 174.62 174.95 1oaq s VAL 18 N 1.88 1.41 -0.11 3.82 0.11 -0.58 -4.97 120.40 121.95 1oaq s VAL 18 Ca 0.10 -0.98 0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1oaq s VAL 18 Cb -0.16 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1oaq s VAL 18 CO 0.11 0.22 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.00 1oaq s THR 19 N -0.67 1.86 -0.08 5.04 2.01 -1.26 -0.55 115.64 121.99 1oaq s THR 19 Ca 0.06 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 1oaq s THR 19 Cb -0.08 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1oaq s THR 19 CO 0.01 0.51 0.11 -0.76 -0.69 0.00 0.00 174.62 173.80 1oaq s LEU 20 N 0.70 4.16 0.35 4.42 1.02 0.11 -4.95 118.68 124.49 1oaq s LEU 20 Ca -0.11 0.34 0.08 0.00 0.02 0.00 0.00 54.13 54.46 1oaq s LEU 20 Cb -0.16 -2.15 -0.07 0.00 0.02 0.00 0.00 46.19 43.83 1oaq s LEU 20 CO 0.02 0.36 -0.06 0.42 0.02 0.00 0.00 176.35 177.11 1oaq s THR 21 N -1.08 2.05 -0.20 5.49 -4.23 -1.26 -0.64 115.64 115.77 1oaq s THR 21 Ca 0.18 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1oaq s THR 21 Cb -0.12 -2.70 0.10 0.00 1.34 0.00 0.00 72.50 71.11 1oaq s THR 21 CO 0.08 -0.16 0.26 0.00 -0.54 0.00 0.00 174.62 174.25 1oaq s ARG 23 N 2.38 2.38 -0.02 0.00 1.70 -0.39 -1.44 118.95 123.57 1oaq s ARG 23 Ca 0.07 -1.39 0.07 0.00 -0.47 0.00 0.00 55.73 54.01 1oaq s ARG 23 Cb -0.15 -2.21 -0.02 0.00 -0.57 0.00 0.00 34.95 32.00 1oaq s ARG 23 CO -0.12 0.34 -0.23 0.45 -1.08 0.00 0.00 175.30 174.66 1oaq s SER 24 N -3.71 2.65 0.55 -2.89 0.15 -1.26 -1.11 113.70 108.07 1oaq s SER 24 Ca 0.32 -0.41 0.36 0.00 0.70 0.00 0.00 55.95 56.93 1oaq s SER 24 Cb -0.06 -0.31 1.83 0.00 -1.71 0.00 0.00 66.02 65.77 1oaq s SER 24 CO 0.21 0.28 2.10 0.77 1.20 0.00 0.00 173.24 177.80 1oaq h SER 25 N 5.60 0.00 1.45 5.45 4.64 -1.53 -2.87 113.55 126.28 1oaq h SER 25 Ca -0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1oaq h SER 25 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1oaq h SER 25 CO 0.48 0.00 -0.04 0.71 -0.87 0.00 0.00 176.83 177.11 1oaq h THR 26 N 0.00 0.08 0.00 2.95 1.35 -1.95 -3.49 112.91 111.85 1oaq h THR 26 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1oaq h THR 26 Cb 0.17 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1oaq h THR 26 CO 0.00 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1oaq n GLY 27 N 0.55 0.43 3.75 5.82 0.00 -1.09 -5.09 105.19 109.57 1oaq n GLY 27 Ca 0.02 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1oaq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oaq s ALA 28 N -1.54 3.58 -0.03 4.61 0.00 -1.26 -4.20 121.76 122.93 1oaq s ALA 28 Ca 0.00 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1oaq s ALA 28 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 1oaq s ALA 28 CO 0.00 -0.70 0.99 0.08 0.00 0.00 0.00 175.76 176.13 1oaq s VAL 29 N -0.26 4.85 0.40 0.00 1.01 -0.26 -4.99 120.40 121.15 1oaq s VAL 29 Ca 0.57 2.06 0.04 0.00 0.00 0.00 0.00 61.98 64.64 1oaq s VAL 29 Cb -0.41 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 1oaq s VAL 29 CO 0.45 0.12 0.05 0.42 0.00 0.00 0.00 175.10 176.14 1oaq s THR 30 N 1.27 1.26 0.50 3.92 -4.23 -1.26 -4.55 115.64 112.54 1oaq s THR 30 Ca 0.51 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.25 1oaq s THR 30 Cb -0.20 -2.63 0.28 0.00 1.34 0.00 0.00 72.50 71.29 1oaq s THR 30 CO 0.25 0.00 2.13 0.71 -0.54 0.00 0.00 174.62 177.17 1oaq h THR 31 N 1.82 0.76 0.00 3.99 1.35 -1.98 -1.25 112.91 117.59 1oaq h THR 31 Ca -0.41 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1oaq h THR 31 Cb 1.26 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1oaq h THR 31 CO 0.71 0.08 0.00 -1.54 -0.25 0.00 0.00 175.52 174.51 1oaq n SER 32 N -4.01 0.46 0.04 5.36 3.41 -1.26 -1.24 113.62 116.37 1oaq n SER 32 Ca -0.03 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1oaq n SER 32 Cb 0.17 -0.76 0.40 0.00 -0.26 0.00 0.00 64.21 63.75 1oaq n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oaq n ASN 33 N -2.09 0.44 -3.92 4.04 4.13 -0.47 -4.87 115.26 112.51 1oaq n ASN 33 Ca -0.00 0.26 -0.26 0.00 1.68 0.00 0.00 54.58 56.26 1oaq n ASN 33 Cb 0.07 -0.26 -0.01 0.00 -1.54 0.00 0.00 39.78 38.04 1oaq n ASN 33 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1oaq n TYR 34 N -1.79 -1.77 -1.59 3.10 4.01 -0.37 -1.28 117.16 117.47 1oaq n TYR 34 Ca 0.06 0.79 -0.47 0.00 -0.16 0.00 0.00 57.90 58.11 1oaq n TYR 34 Cb 0.38 -3.82 -0.03 0.00 -0.31 0.00 0.00 39.34 35.55 1oaq n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1oaq n ALA 35 N -4.40 -0.45 -2.37 -0.72 0.00 -1.26 -3.69 120.51 107.62 1oaq n ALA 35 Ca -0.24 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.47 1oaq n ALA 35 Cb 0.65 -2.05 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 1oaq n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1oaq s ASN 36 N -0.11 2.13 -0.02 0.00 2.20 -0.40 -0.87 114.94 117.87 1oaq s ASN 36 Ca 0.69 -0.94 0.04 0.00 -0.94 0.00 0.00 52.86 51.71 1oaq s ASN 36 Cb -0.79 -0.07 -0.00 0.00 -2.00 0.00 0.00 41.25 38.38 1oaq s ASN 36 CO 0.54 -0.21 -0.13 0.26 -2.94 0.00 0.00 177.10 174.62 1oaq s TRP 37 N -2.75 1.24 0.01 1.54 0.52 -0.18 -1.00 118.94 118.31 1oaq s TRP 37 Ca 0.16 -0.29 0.05 0.00 0.02 0.00 0.00 56.10 56.04 1oaq s TRP 37 Cb -0.01 -0.83 -0.02 0.00 -1.15 0.00 0.00 33.47 31.46 1oaq s TRP 37 CO 0.03 -0.08 -0.15 0.08 0.02 0.00 0.00 176.95 176.86 1oaq s VAL 38 N -0.08 1.20 -0.15 4.03 1.01 0.38 -0.95 120.40 125.84 1oaq s VAL 38 Ca 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1oaq s VAL 38 Cb -0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1oaq s VAL 38 CO 0.00 0.23 -0.01 -1.58 0.00 0.00 0.00 175.10 173.75 1oaq s GLN 39 N -0.65 3.67 -0.32 2.72 0.74 -0.10 -0.84 119.66 124.89 1oaq s GLN 39 Ca 0.05 -0.46 -0.05 0.00 0.05 0.00 0.00 55.36 54.95 1oaq s GLN 39 Cb -0.07 -2.98 0.04 0.00 1.10 0.00 0.00 33.01 31.11 1oaq s GLN 39 CO 0.00 0.31 0.07 -2.00 -0.55 0.00 0.00 175.29 173.12 1oaq s GLU 40 N 0.20 2.56 0.42 1.67 2.12 0.70 -0.87 118.70 125.50 1oaq s GLU 40 Ca -0.00 -1.20 0.00 0.00 0.36 0.00 0.00 54.97 54.13 1oaq s GLU 40 Cb -0.13 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1oaq s GLU 40 CO 0.02 -0.64 0.64 0.15 -0.54 0.00 0.00 175.26 174.89 1oaq s LYS 41 N 1.35 3.20 0.52 4.30 1.02 -0.05 -1.64 119.74 128.44 1oaq s LYS 41 Ca -0.03 -0.41 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 1oaq s LYS 41 Cb -0.20 -2.58 -0.10 0.00 -0.52 0.00 0.00 37.83 34.44 1oaq s LYS 41 CO 0.01 -0.16 0.49 -2.30 -0.92 0.00 0.00 175.35 172.48 1oaq n PRO 42 N -2.01 0.51 -2.87 -1.68 -0.02 -1.26 -1.75 135.00 125.91 1oaq n PRO 42 Ca -0.00 0.20 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1oaq n PRO 42 Cb 0.57 -1.60 0.03 0.00 -0.02 0.00 0.00 33.50 32.48 1oaq n PRO 42 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1oaq n ASP 43 N 0.87 -4.65 -3.89 2.55 8.00 -1.26 -4.11 116.55 114.06 1oaq n ASP 43 Ca 0.11 -0.23 -0.26 0.00 0.71 0.00 0.00 54.79 55.12 1oaq n ASP 43 Cb 0.45 -3.45 0.01 0.00 -0.02 0.00 0.00 41.12 38.11 1oaq n ASP 43 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1oaq n HIS 44 N -4.10 -1.88 -3.47 1.24 8.25 -1.04 -4.92 115.22 109.29 1oaq n HIS 44 Ca -0.05 0.82 -0.43 0.00 -0.26 0.00 0.00 57.72 57.80 1oaq n HIS 44 Cb 0.57 -3.93 -0.08 0.00 1.12 0.00 0.00 29.99 27.67 1oaq n HIS 44 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1oaq s LEU 45 N -6.96 5.62 -0.03 2.41 2.96 -0.72 -4.96 118.68 117.00 1oaq s LEU 45 Ca 0.21 -1.61 -0.17 0.00 -0.22 0.00 0.00 54.13 52.35 1oaq s LEU 45 Cb -0.11 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1oaq s LEU 45 CO 0.85 -0.67 0.46 -0.36 -1.32 0.00 0.00 176.35 175.31 1oaq s PHE 46 N 1.51 3.67 -0.03 5.38 0.40 -1.26 -0.87 117.98 126.78 1oaq s PHE 46 Ca 0.04 1.00 0.02 0.00 -0.60 0.00 0.00 56.93 57.39 1oaq s PHE 46 Cb -0.26 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 40.87 1oaq s PHE 46 CO 0.03 0.47 -0.07 0.99 0.70 0.00 0.00 175.22 177.34 1oaq s THR 47 N -0.48 0.65 0.24 0.64 2.01 -0.05 -4.99 115.64 113.65 1oaq s THR 47 Ca 0.25 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 1oaq s THR 47 Cb -0.17 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.66 1oaq s THR 47 CO 0.13 0.22 1.08 -0.83 -0.69 0.00 0.00 174.62 174.53 1oaq s GLY 48 N 0.38 2.99 -0.13 4.40 0.00 -1.26 -0.92 107.32 112.78 1oaq s GLY 48 Ca -0.05 0.84 -0.07 0.00 0.00 0.00 0.00 44.72 45.43 1oaq s GLY 48 CO 0.00 1.53 -0.18 1.04 0.00 0.00 0.00 173.10 175.49 1oaq n LEU 49 N 1.66 1.08 -3.94 0.66 4.77 -0.12 -4.75 117.00 116.35 1oaq n LEU 49 Ca 0.00 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1oaq n LEU 49 Cb 0.45 -0.43 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 1oaq n LEU 49 CO 0.53 0.16 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.75 1oaq s ILE 50 N -2.29 0.22 0.13 -0.08 -1.09 -1.05 -1.46 121.20 115.59 1oaq s ILE 50 Ca -0.19 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 1oaq s ILE 50 Cb 0.07 -0.24 -0.04 0.00 -1.58 0.00 0.00 42.46 40.67 1oaq s ILE 50 CO 0.24 -0.08 0.00 -0.83 -1.23 0.00 0.00 174.94 173.04 1oaq s GLY 51 N -0.46 0.99 -1.41 6.18 0.00 0.15 -1.01 107.32 111.76 1oaq s GLY 51 Ca -0.03 -1.47 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 1oaq s GLY 51 CO -0.00 -1.44 0.86 0.61 0.00 0.00 0.00 173.10 173.13 1oaq n GLY 52 N -0.12 -0.40 5.00 0.20 0.00 -0.90 -1.22 105.19 107.75 1oaq n GLY 52 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1oaq n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oaq n THR 53 N -4.50 0.00 -1.29 2.61 -1.04 -0.05 -4.19 114.28 105.82 1oaq n THR 53 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1oaq n THR 53 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 1oaq n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1oaq n ASN 54 N 2.24 0.18 -4.52 8.00 6.94 -1.15 -3.26 115.26 123.69 1oaq n ASN 54 Ca 0.00 -1.46 -0.41 0.00 -0.02 0.00 0.00 54.58 52.69 1oaq n ASN 54 Cb 0.00 -0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.24 1oaq n ASN 54 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1oaq s ASN 55 N -0.48 6.09 0.08 0.53 0.01 -0.36 -4.59 114.94 116.21 1oaq s ASN 55 Ca 0.01 -0.50 -0.30 0.00 -0.71 0.00 0.00 52.86 51.35 1oaq s ASN 55 Cb 0.01 -2.15 -0.06 0.00 0.41 0.00 0.00 41.25 39.46 1oaq s ASN 55 CO 0.00 -0.30 1.10 -0.60 -1.51 0.00 0.00 177.10 175.80 1oaq s ARG 56 N 1.76 4.52 0.46 -0.60 3.52 -1.26 -0.68 118.95 126.67 1oaq s ARG 56 Ca 0.07 1.65 -0.24 0.00 -0.13 0.00 0.00 55.73 57.08 1oaq s ARG 56 Cb -0.18 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.78 1oaq s ARG 56 CO 0.11 -0.09 1.27 0.00 -0.81 0.00 0.00 175.30 175.78 1oaq s ALA 57 N 0.62 3.06 0.22 6.12 0.00 -0.53 -4.93 121.76 126.32 1oaq s ALA 57 Ca 0.54 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 1oaq s ALA 57 Cb -0.27 -3.47 -0.15 0.00 0.00 0.00 0.00 23.12 19.23 1oaq s ALA 57 CO 0.30 -0.91 1.15 -2.30 0.00 0.00 0.00 175.76 174.00 1oaq n PRO 58 N -0.34 1.36 -0.11 0.00 -0.02 -1.26 -2.19 135.00 132.44 1oaq n PRO 58 Ca 0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1oaq n PRO 58 Cb 0.45 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1oaq n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oaq n GLY 59 N 1.77 2.55 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.76 1oaq n GLY 59 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1oaq n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oaq s VAL 60 N -3.03 3.29 0.37 1.61 1.01 -0.93 -4.96 120.40 117.76 1oaq s VAL 60 Ca 0.00 1.18 -0.27 0.00 0.00 0.00 0.00 61.98 62.90 1oaq s VAL 60 Cb 0.00 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1oaq s VAL 60 CO 0.00 0.23 1.16 -2.65 0.00 0.00 0.00 175.10 173.84 1oaq n PRO 61 N 1.77 1.74 0.18 2.72 -0.02 -1.26 -4.84 135.00 135.29 1oaq n PRO 61 Ca 0.02 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 1oaq n PRO 61 Cb 0.44 -2.17 0.61 0.00 -0.02 0.00 0.00 33.50 32.36 1oaq n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oaq h ALA 62 N 2.09 1.00 0.00 3.55 0.00 -1.99 -2.26 119.26 121.65 1oaq h ALA 62 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1oaq h ALA 62 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1oaq h ALA 62 CO 0.60 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.74 1oaq n ARG 63 N -2.46 0.16 -3.20 0.00 1.85 -1.26 -4.56 116.66 107.19 1oaq n ARG 63 Ca 0.01 0.45 -0.39 0.00 -1.00 0.00 0.00 57.85 56.92 1oaq n ARG 63 Cb 0.18 -1.85 -0.05 0.00 -1.05 0.00 0.00 32.46 29.69 1oaq n ARG 63 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1oaq s PHE 64 N -3.33 3.59 0.01 2.89 0.40 -0.85 -0.86 117.98 119.83 1oaq s PHE 64 Ca 0.03 1.10 -0.07 0.00 -0.60 0.00 0.00 56.93 57.39 1oaq s PHE 64 Cb 0.08 -2.64 -0.00 0.00 0.51 0.00 0.00 43.02 40.97 1oaq s PHE 64 CO 0.33 0.21 0.14 -1.54 0.70 0.00 0.00 175.22 175.06 1oaq s SER 65 N 0.40 0.05 0.09 1.36 1.04 -0.47 -4.95 113.70 111.22 1oaq s SER 65 Ca 0.31 -0.27 0.08 0.00 0.48 0.00 0.00 55.95 56.55 1oaq s SER 65 Cb -0.17 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1oaq s SER 65 CO 0.15 -0.40 -0.16 -0.83 0.98 0.00 0.00 173.24 172.97 1oaq s GLY 66 N -1.55 1.68 0.37 7.32 0.00 -1.26 -0.44 107.32 113.45 1oaq s GLY 66 Ca -0.13 -1.27 -0.14 0.00 0.00 0.00 0.00 44.72 43.18 1oaq s GLY 66 CO 0.00 -1.22 0.74 -1.35 0.00 0.00 0.00 173.10 171.28 1oaq s SER 67 N -1.92 0.10 -0.13 1.64 1.04 -0.41 -4.28 113.70 109.73 1oaq s SER 67 Ca 0.18 -1.15 -0.05 0.00 0.48 0.00 0.00 55.95 55.40 1oaq s SER 67 Cb -0.11 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 1oaq s SER 67 CO 0.09 -1.62 0.06 -0.76 0.98 0.00 0.00 173.24 172.00 1oaq s LEU 68 N -3.08 3.89 -0.22 2.42 1.43 -1.26 -0.74 118.68 121.11 1oaq s LEU 68 Ca 0.17 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1oaq s LEU 68 Cb -0.05 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.29 1oaq s LEU 68 CO 0.12 0.30 -0.03 -0.63 0.23 0.00 0.00 176.35 176.34 1oaq s ILE 69 N -0.42 1.27 0.00 -0.59 1.01 -0.09 -4.94 121.20 117.44 1oaq s ILE 69 Ca 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.71 1oaq s ILE 69 Cb -0.12 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1oaq s ILE 69 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1oaq n GLY 70 N 4.77 3.61 1.52 6.18 0.00 -1.26 -1.78 105.19 118.23 1oaq n GLY 70 Ca -0.11 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1oaq n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1oaq n ASN 71 N 6.64 4.55 -4.47 1.61 5.03 -1.26 -4.89 115.26 122.47 1oaq n ASN 71 Ca 0.00 -2.33 -0.29 0.00 0.87 0.00 0.00 54.58 52.84 1oaq n ASN 71 Cb 0.00 -0.55 -0.11 0.00 -1.02 0.00 0.00 39.78 38.09 1oaq n ASN 71 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1oaq s LYS 72 N -1.62 1.72 0.51 3.52 1.02 -0.73 -1.11 119.74 123.05 1oaq s LYS 72 Ca 0.51 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 55.06 1oaq s LYS 72 Cb 0.31 -2.05 -0.08 0.00 -0.52 0.00 0.00 37.83 35.49 1oaq s LYS 72 CO 0.27 0.46 0.99 0.00 -0.92 0.00 0.00 175.35 176.15 1oaq s ALA 73 N -1.26 3.01 -0.06 5.17 0.00 -0.52 -0.91 121.76 127.19 1oaq s ALA 73 Ca 0.18 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 1oaq s ALA 73 Cb -0.10 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.89 1oaq s ALA 73 CO 0.10 -0.26 0.15 0.00 0.00 0.00 0.00 175.76 175.75 1oaq s ALA 74 N -2.50 -0.38 -0.20 0.00 0.00 0.08 -0.81 121.76 117.95 1oaq s ALA 74 Ca 0.60 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 1oaq s ALA 74 Cb -0.11 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.76 1oaq s ALA 74 CO 0.29 -0.08 -0.10 -1.17 0.00 0.00 0.00 175.76 174.70 1oaq s LEU 75 N 0.04 2.66 -0.15 0.00 2.96 0.19 -1.29 118.68 123.10 1oaq s LEU 75 Ca -0.00 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1oaq s LEU 75 Cb -0.01 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1oaq s LEU 75 CO 0.00 0.01 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.14 1oaq s THR 76 N 1.28 4.18 -0.32 3.68 2.01 0.42 -0.72 115.64 126.17 1oaq s THR 76 Ca 0.03 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.72 1oaq s THR 76 Cb -0.14 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.57 1oaq s THR 76 CO -0.05 0.50 0.07 -0.63 -0.69 0.00 0.00 174.62 173.83 1oaq s ILE 77 N 0.17 3.59 -0.77 1.82 1.01 0.29 -1.36 121.20 125.95 1oaq s ILE 77 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 60.65 59.32 1oaq s ILE 77 Cb -0.13 -3.02 0.15 0.00 0.01 0.00 0.00 42.46 39.47 1oaq s ILE 77 CO 0.02 -0.13 0.85 -0.89 0.00 0.00 0.00 174.94 174.79 1oaq s THR 78 N 1.37 5.05 0.00 2.92 2.01 -0.04 -1.53 115.64 125.42 1oaq s THR 78 Ca -0.02 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1oaq s THR 78 Cb -0.19 -4.57 0.00 0.00 0.01 0.00 0.00 72.50 67.74 1oaq s THR 78 CO 0.02 -1.21 0.00 0.61 -0.69 0.00 0.00 174.62 173.35 1oaq n GLY 79 N 4.93 0.51 3.73 4.40 0.00 -0.62 -4.78 105.19 113.36 1oaq n GLY 79 Ca 0.08 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1oaq n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oaq n ALA 80 N -0.24 2.29 -2.79 4.61 0.00 -0.00 -4.56 120.51 119.82 1oaq n ALA 80 Ca 0.00 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 1oaq n ALA 80 Cb 0.12 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.08 1oaq n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1oaq s GLN 81 N -0.24 2.82 0.28 0.00 -1.52 -1.26 -0.65 119.66 119.09 1oaq s GLN 81 Ca 0.67 -1.03 0.01 0.00 -1.95 0.00 0.00 55.36 53.06 1oaq s GLN 81 Cb -0.53 -2.54 0.64 0.00 -0.22 0.00 0.00 33.01 30.36 1oaq s GLN 81 CO 0.46 0.43 1.71 1.15 -0.25 0.00 0.00 175.29 178.80 1oaq h THR 82 N 1.80 0.55 0.00 -0.19 2.02 -1.92 -0.33 112.91 114.83 1oaq h THR 82 Ca -0.48 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1oaq h THR 82 Cb 1.22 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1oaq h THR 82 CO 0.61 0.08 0.00 -1.84 0.37 0.00 0.00 175.52 174.74 1oaq n GLU 83 N -5.01 0.46 0.00 6.66 0.00 -1.26 -2.33 120.64 119.16 1oaq n GLU 83 Ca 0.20 0.05 0.15 0.00 0.00 0.00 0.00 57.16 57.55 1oaq n GLU 83 Cb 0.57 -1.50 0.70 0.00 0.00 0.00 0.00 31.44 31.21 1oaq n GLU 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1oaq n ASP 84 N -1.18 0.32 -4.64 -1.84 8.00 -0.14 -4.79 116.55 112.29 1oaq n ASP 84 Ca 0.13 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 1oaq n ASP 84 Cb 0.14 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1oaq n ASP 84 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1oaq s GLU 85 N -2.39 3.81 0.01 -1.24 2.12 -0.99 -4.85 118.70 115.17 1oaq s GLU 85 Ca 0.33 2.15 -0.29 0.00 0.36 0.00 0.00 54.97 57.51 1oaq s GLU 85 Cb 0.20 -4.15 0.11 0.00 0.26 0.00 0.00 34.13 30.55 1oaq s GLU 85 CO 0.45 -1.31 1.25 0.00 -0.54 0.00 0.00 175.26 175.10 1oaq s ALA 86 N 5.54 -2.21 -0.18 6.30 0.00 -0.99 -4.76 121.76 125.45 1oaq s ALA 86 Ca 0.85 0.47 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1oaq s ALA 86 Cb -0.34 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 1oaq s ALA 86 CO 0.35 -1.07 0.10 0.42 0.00 0.00 0.00 175.76 175.56 1oaq s ILE 87 N -2.38 5.18 -0.21 0.00 1.01 -0.65 -0.92 121.20 123.23 1oaq s ILE 87 Ca 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 1oaq s ILE 87 Cb 0.03 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1oaq s ILE 87 CO -0.02 0.47 -0.04 -0.31 0.00 0.00 0.00 174.94 175.03 1oaq s TYR 88 N 0.20 2.96 -0.10 3.97 1.51 -0.02 -0.22 117.35 125.65 1oaq s TYR 88 Ca 0.07 -0.80 -0.02 0.00 -1.01 0.00 0.00 57.07 55.31 1oaq s TYR 88 Cb -0.12 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 1oaq s TYR 88 CO -0.01 -0.44 -0.00 -0.06 -1.11 0.00 0.00 175.55 173.93 1oaq s PHE 89 N 1.25 3.14 0.26 2.71 0.08 -0.02 -1.05 117.98 124.35 1oaq s PHE 89 Ca 0.03 0.13 0.07 0.00 0.12 0.00 0.00 56.93 57.28 1oaq s PHE 89 Cb -0.14 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1oaq s PHE 89 CO -0.01 0.40 0.23 0.00 -0.10 0.00 0.00 175.22 175.73 1oaq s ALA 91 N -2.13 -0.68 0.03 0.00 0.00 -0.17 -0.70 121.76 118.11 1oaq s ALA 91 Ca 0.34 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1oaq s ALA 91 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1oaq s ALA 91 CO 0.26 -0.18 -0.17 -0.51 0.00 0.00 0.00 175.76 175.15 1oaq s LEU 92 N -0.49 2.15 -0.06 0.00 1.43 -0.34 -1.28 118.68 120.10 1oaq s LEU 92 Ca -0.06 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.42 1oaq s LEU 92 Cb -0.04 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 1oaq s LEU 92 CO 0.02 0.11 0.42 0.26 0.23 0.00 0.00 176.35 177.39 1oaq s TRP 93 N -0.76 3.63 -0.05 0.29 0.52 -0.40 -0.85 118.94 121.32 1oaq s TRP 93 Ca 0.05 0.92 -0.01 0.00 0.02 0.00 0.00 56.10 57.07 1oaq s TRP 93 Cb -0.08 -2.38 0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1oaq s TRP 93 CO 0.01 0.44 0.03 0.71 0.02 0.00 0.00 176.95 178.16 1oaq s TYR 94 N -0.35 0.37 -1.48 -1.98 1.51 0.03 -4.54 117.35 110.92 1oaq s TYR 94 Ca 0.24 0.04 -0.06 0.00 -1.01 0.00 0.00 57.07 56.28 1oaq s TYR 94 Cb -0.16 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1oaq s TYR 94 CO 0.11 -0.25 0.59 0.43 -1.11 0.00 0.00 175.55 175.33 1oaq n SER 95 N 5.13 -1.57 -1.52 2.29 7.64 -1.26 -1.22 113.62 123.11 1oaq n SER 95 Ca -0.07 -0.96 -0.16 0.00 1.01 0.00 0.00 58.87 58.69 1oaq n SER 95 Cb 0.50 -3.19 -0.03 0.00 -1.01 0.00 0.00 64.21 60.48 1oaq n SER 95 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1oaq n ASN 96 N -2.90 -4.78 -3.92 6.43 3.02 -1.26 -5.00 115.26 106.85 1oaq n ASN 96 Ca -0.18 0.17 -0.20 0.00 -0.03 0.00 0.00 54.58 54.34 1oaq n ASN 96 Cb 0.62 -3.80 -0.16 0.00 -0.61 0.00 0.00 39.78 35.84 1oaq n ASN 96 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1oaq s HIS 97 N -2.69 0.75 0.04 3.10 -3.43 -0.36 -5.13 115.29 107.57 1oaq s HIS 97 Ca 0.00 -0.20 -0.28 0.00 -0.80 0.00 0.00 55.06 53.78 1oaq s HIS 97 Cb 0.00 -0.63 -0.05 0.00 -1.43 0.00 0.00 32.58 30.47 1oaq s HIS 97 CO 0.00 -0.16 0.87 -1.17 -2.00 0.00 0.00 174.74 172.28 1oaq s LEU 98 N 0.70 4.43 -0.10 5.38 0.20 -1.26 -0.79 118.68 127.24 1oaq s LEU 98 Ca -0.10 1.58 0.00 0.00 0.69 0.00 0.00 54.13 56.31 1oaq s LEU 98 Cb -0.13 -3.41 0.02 0.00 -0.43 0.00 0.00 46.19 42.24 1oaq s LEU 98 CO 0.00 -0.09 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.19 1oaq s VAL 99 N 0.32 1.06 0.16 1.68 1.01 -0.03 -4.96 120.40 119.64 1oaq s VAL 99 Ca 0.44 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 1oaq s VAL 99 Cb -0.21 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 1oaq s VAL 99 CO 0.26 0.37 0.76 -0.36 0.00 0.00 0.00 175.10 176.12 1oaq s PHE 100 N 1.46 3.89 1.03 5.22 0.40 -1.26 -1.19 117.98 127.52 1oaq s PHE 100 Ca 0.00 1.60 -0.13 0.00 -0.60 0.00 0.00 56.93 57.81 1oaq s PHE 100 Cb -0.13 -2.74 0.20 0.00 0.51 0.00 0.00 43.02 40.86 1oaq s PHE 100 CO -0.06 0.52 1.09 0.20 0.70 0.00 0.00 175.22 177.67 1oaq s GLY 101 N -1.16 1.56 0.00 4.36 0.00 0.12 -4.56 107.32 107.63 1oaq s GLY 101 Ca 0.35 -0.37 0.28 0.00 0.00 0.00 0.00 44.72 44.99 1oaq s GLY 101 CO 0.25 0.26 1.96 0.61 0.00 0.00 0.00 173.10 176.19 1oaq n GLY 102 N -0.91 -1.27 0.00 0.20 0.00 -1.24 -4.72 105.19 97.25 1oaq n GLY 102 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1oaq n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oaq n GLY 103 N 1.18 -0.74 3.08 -0.02 0.00 -1.26 -5.02 105.19 102.41 1oaq n GLY 103 Ca 0.12 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1oaq n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oaq s THR 104 N -3.18 1.75 -0.36 2.61 2.01 -0.22 -4.44 115.64 113.82 1oaq s THR 104 Ca 0.00 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 1oaq s THR 104 Cb 0.00 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.93 1oaq s THR 104 CO 0.00 0.49 0.92 -0.75 -0.69 0.00 0.00 174.62 174.59 1oaq s LYS 105 N 1.18 3.87 -0.29 4.92 2.47 -0.76 -0.84 119.74 130.29 1oaq s LYS 105 Ca -0.00 0.62 -0.17 0.00 -1.56 0.00 0.00 55.97 54.85 1oaq s LYS 105 Cb -0.14 -3.79 -0.02 0.00 -1.46 0.00 0.00 37.83 32.42 1oaq s LYS 105 CO -0.07 -0.91 0.46 -1.17 0.16 0.00 0.00 175.35 173.82 1oaq s LEU 106 N 3.43 4.15 -0.19 5.43 2.96 -0.10 -1.25 118.68 133.11 1oaq s LEU 106 Ca 0.38 0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 54.44 1oaq s LEU 106 Cb -0.12 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1oaq s LEU 106 CO 0.18 -0.32 0.13 -0.89 -1.32 0.00 0.00 176.35 174.13 1oaq s THR 107 N 2.25 5.41 -0.32 3.68 2.01 -0.25 -2.34 115.64 126.08 1oaq s THR 107 Ca 0.18 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1oaq s THR 107 Cb -0.16 -3.46 0.06 0.00 0.01 0.00 0.00 72.50 68.95 1oaq s THR 107 CO 0.11 0.46 0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 1oaq s VAL 108 N 0.23 3.06 -0.87 3.82 1.01 -1.26 -1.25 120.40 125.14 1oaq s VAL 108 Ca 0.09 -1.45 -0.21 0.00 0.00 0.00 0.00 61.98 60.40 1oaq s VAL 108 Cb -0.11 -2.81 0.10 0.00 0.00 0.00 0.00 36.38 33.56 1oaq s VAL 108 CO -0.01 -0.18 1.15 -0.76 0.00 0.00 0.00 175.10 175.29 1oaq s LEU 109 N 1.25 4.52 0.00 3.92 1.43 -0.54 -4.92 118.68 124.34 1oaq s LEU 109 Ca -0.03 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1oaq s LEU 109 Cb -0.20 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1oaq s LEU 109 CO -0.01 -1.28 0.00 0.61 0.23 0.00 0.00 176.35 175.90