#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dqt s GLN 2 N 0.00 0.75 -0.08 0.38 -2.07 -0.32 -5.00 119.66 113.33 1dqt s GLN 2 Ca 0.00 1.10 0.05 0.00 -1.82 0.00 0.00 55.36 54.69 1dqt s GLN 2 Cb 0.00 0.26 -0.00 0.00 -1.09 0.00 0.00 33.01 32.18 1dqt s GLN 2 CO 0.00 -0.12 -0.22 0.08 -1.32 0.00 0.00 175.29 173.70 1dqt s VAL 3 N 1.06 1.89 0.09 3.63 1.01 -1.26 -1.43 120.40 125.39 1dqt s VAL 3 Ca -0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1dqt s VAL 3 Cb -0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1dqt s VAL 3 CO -0.10 0.52 -0.10 0.42 0.00 0.00 0.00 175.10 175.84 1dqt s THR 4 N 0.16 0.88 0.13 3.92 -4.23 0.73 -3.72 115.64 113.52 1dqt s THR 4 Ca -0.11 -1.57 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1dqt s THR 4 Cb -0.16 -1.27 0.01 0.00 1.34 0.00 0.00 72.50 72.42 1dqt s THR 4 CO 0.06 -0.54 0.29 0.00 -0.54 0.00 0.00 174.62 173.89 1dqt s GLN 5 N -2.66 1.02 0.68 3.99 -2.07 -1.26 -0.39 119.66 118.97 1dqt s GLN 5 Ca 0.04 -0.94 -0.16 0.00 -1.82 0.00 0.00 55.36 52.47 1dqt s GLN 5 Cb -0.04 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.29 1dqt s GLN 5 CO -0.00 -0.37 1.22 -2.14 -1.32 0.00 0.00 175.29 172.67 1dqt s PRO 6 N -3.87 2.45 0.12 9.60 0.02 -1.26 -4.89 135.00 137.16 1dqt s PRO 6 Ca 0.08 1.80 -0.03 0.00 0.02 0.00 0.00 61.00 62.88 1dqt s PRO 6 Cb 0.03 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1dqt s PRO 6 CO -0.08 -1.61 1.27 0.66 -0.33 0.00 0.00 177.00 176.92 1dqt h SER 7 N 0.15 0.43 -3.81 2.53 4.64 -1.95 -3.35 113.55 112.18 1dqt h SER 7 Ca -0.49 -0.38 -0.31 0.00 -0.47 0.00 0.00 61.79 60.14 1dqt h SER 7 Cb 1.30 -0.13 -0.29 0.00 -0.31 0.00 0.00 62.40 62.96 1dqt h SER 7 CO 0.52 1.21 -0.75 -0.69 -0.87 0.00 0.00 176.83 176.25 1dqt s VAL 8 N -3.07 0.32 -0.03 0.95 1.01 -1.26 0.03 120.40 118.35 1dqt s VAL 8 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.80 1dqt s VAL 8 Cb 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.19 1dqt s VAL 8 CO 0.86 0.10 -0.04 -0.69 0.00 0.00 0.00 175.10 175.33 1dqt s VAL 9 N 0.06 0.44 -0.43 2.92 1.01 -0.08 -4.92 120.40 119.40 1dqt s VAL 9 Ca -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1dqt s VAL 9 Cb -0.03 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.94 1dqt s VAL 9 CO -0.00 0.17 0.34 -0.76 0.00 0.00 0.00 175.10 174.85 1dqt s LEU 10 N 0.53 5.30 0.54 3.92 1.43 -1.26 -1.82 118.68 127.32 1dqt s LEU 10 Ca -0.06 -1.06 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 1dqt s LEU 10 Cb -0.10 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1dqt s LEU 10 CO -0.00 -0.53 1.30 0.00 0.23 0.00 0.00 176.35 177.34 1dqt s ALA 11 N 1.68 2.79 0.99 4.21 0.00 -0.64 -4.96 121.76 125.83 1dqt s ALA 11 Ca 0.05 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 1dqt s ALA 11 Cb -0.21 -3.51 0.18 0.00 0.00 0.00 0.00 23.12 19.58 1dqt s ALA 11 CO 0.09 -1.22 1.08 -1.54 0.00 0.00 0.00 175.76 174.18 1dqt s SER 12 N -1.14 2.64 0.34 0.00 1.04 0.26 -4.75 113.70 112.09 1dqt s SER 12 Ca 0.71 1.38 0.26 0.00 0.48 0.00 0.00 55.95 58.78 1dqt s SER 12 Cb -0.37 -2.06 1.19 0.00 0.10 0.00 0.00 66.02 64.88 1dqt s SER 12 CO 0.43 -3.15 1.78 0.77 0.98 0.00 0.00 173.24 174.05 1dqt h SER 13 N -1.90 0.00 -0.64 7.02 4.64 -1.90 -1.07 113.55 119.70 1dqt h SER 13 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1dqt h SER 13 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1dqt h SER 13 CO 0.55 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.92 1dqt n HIS 14 N -2.41 1.11 -2.38 4.77 8.25 -1.26 -4.67 115.22 118.64 1dqt n HIS 14 Ca 0.00 -0.49 -0.05 0.00 -0.26 0.00 0.00 57.72 56.92 1dqt n HIS 14 Cb 0.17 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.18 1dqt n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dqt n GLY 15 N 1.34 0.36 3.49 -1.41 0.00 -0.41 -4.46 105.19 104.11 1dqt n GLY 15 Ca 0.23 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1dqt n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dqt s VAL 16 N -2.60 3.74 -0.12 1.61 1.01 -1.25 -1.08 120.40 121.70 1dqt s VAL 16 Ca 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1dqt s VAL 16 Cb -0.03 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.77 1dqt s VAL 16 CO 0.07 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.64 1dqt s ALA 17 N 0.23 1.20 -0.03 5.51 0.00 0.14 -0.57 121.76 128.24 1dqt s ALA 17 Ca -0.04 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.44 1dqt s ALA 17 Cb -0.14 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1dqt s ALA 17 CO 0.03 -0.58 -0.21 -1.12 0.00 0.00 0.00 175.76 173.88 1dqt s SER 18 N 1.76 2.55 0.08 0.00 0.01 -1.26 -0.53 113.70 116.32 1dqt s SER 18 Ca 0.03 -0.40 -0.26 0.00 1.31 0.00 0.00 55.95 56.63 1dqt s SER 18 Cb -0.14 -0.44 0.08 0.00 0.21 0.00 0.00 66.02 65.74 1dqt s SER 18 CO -0.07 0.24 0.69 0.72 0.41 0.00 0.00 173.24 175.23 1dqt s PHE 19 N -0.35 -0.51 0.29 2.43 -0.71 -0.46 -5.00 117.98 113.67 1dqt s PHE 19 Ca 0.04 0.42 -0.14 0.00 -1.04 0.00 0.00 56.93 56.21 1dqt s PHE 19 Cb -0.10 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.16 1dqt s PHE 19 CO 0.00 -0.73 0.69 -1.25 -1.34 0.00 0.00 175.22 172.60 1dqt s PRO 20 N -3.18 3.98 -0.19 1.99 0.04 -1.26 -1.17 135.00 135.21 1dqt s PRO 20 Ca 0.00 0.59 0.01 0.00 0.04 0.00 0.00 61.00 61.64 1dqt s PRO 20 Cb -0.01 -2.52 0.04 0.00 0.04 0.00 0.00 34.50 32.06 1dqt s PRO 20 CO -0.09 0.21 -0.10 0.00 0.04 0.00 0.00 177.00 177.06 1dqt s GLU 22 N 1.44 2.31 0.08 0.00 2.02 0.48 -0.78 118.70 124.26 1dqt s GLU 22 Ca -0.00 -1.00 -0.03 0.00 0.02 0.00 0.00 54.97 53.96 1dqt s GLU 22 Cb -0.16 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1dqt s GLU 22 CO -0.09 0.50 0.05 1.52 0.02 0.00 0.00 175.26 177.26 1dqt s TYR 23 N -1.39 0.53 -0.06 1.61 1.13 -0.55 -0.19 117.35 118.42 1dqt s TYR 23 Ca 0.24 -1.00 -0.21 0.00 -1.41 0.00 0.00 57.07 54.69 1dqt s TYR 23 Cb -0.11 -0.33 0.05 0.00 -1.10 0.00 0.00 41.96 40.47 1dqt s TYR 23 CO 0.16 -0.46 0.48 0.45 -2.51 0.00 0.00 175.55 173.67 1dqt s SER 24 N -2.94 -0.42 0.73 -0.18 0.15 -0.51 -4.55 113.70 105.97 1dqt s SER 24 Ca 0.11 0.49 -0.11 0.00 0.70 0.00 0.00 55.95 57.14 1dqt s SER 24 Cb 0.07 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 1dqt s SER 24 CO -0.07 -0.46 1.08 -2.16 1.20 0.00 0.00 173.24 172.83 1dqt s PRO 25 N -0.99 2.67 0.19 5.44 0.04 -1.26 -1.17 135.00 139.92 1dqt s PRO 25 Ca -0.10 0.71 0.06 0.00 0.04 0.00 0.00 61.00 61.71 1dqt s PRO 25 Cb -0.03 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1dqt s PRO 25 CO 0.06 -1.22 -0.11 -1.54 0.04 0.00 0.00 177.00 174.22 1dqt s SER 26 N -3.99 2.27 0.05 6.66 1.04 -1.26 -5.00 113.70 113.47 1dqt s SER 26 Ca 0.59 -1.04 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1dqt s SER 26 Cb -0.13 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1dqt s SER 26 CO 0.54 -0.26 -0.03 -1.00 0.98 0.00 0.00 173.24 173.47 1dqt s HIS 27 N -3.13 0.54 0.49 5.02 3.76 -1.26 -5.03 115.29 115.69 1dqt s HIS 27 Ca 0.21 -1.05 0.17 0.00 -0.15 0.00 0.00 55.06 54.24 1dqt s HIS 27 Cb 0.01 -0.39 1.22 0.00 1.11 0.00 0.00 32.58 34.53 1dqt s HIS 27 CO 0.05 -0.36 2.10 -0.91 -0.85 0.00 0.00 174.74 174.76 1dqt h ASN 28 N 3.17 0.00 -0.63 1.40 -0.26 -2.00 -2.62 115.58 114.64 1dqt h ASN 28 Ca -0.34 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.40 1dqt h ASN 28 Cb 1.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.40 1dqt h ASN 28 CO 0.66 0.07 0.00 0.35 -1.06 0.00 0.00 177.43 177.45 1dqt n THR 29 N -4.37 1.47 -1.60 2.81 -2.24 -1.26 -4.96 114.28 104.14 1dqt n THR 29 Ca -0.03 -1.04 -0.43 0.00 -2.27 0.00 0.00 64.05 60.29 1dqt n THR 29 Cb 0.15 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1dqt n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1dqt n ASP 30 N 1.17 1.26 -3.72 3.42 10.43 -0.99 -4.25 116.55 123.87 1dqt n ASP 30 Ca 0.24 1.11 -0.19 0.00 2.57 0.00 0.00 54.79 58.51 1dqt n ASP 30 Cb 0.76 -1.32 -0.17 0.00 1.84 0.00 0.00 41.12 42.23 1dqt n ASP 30 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1dqt s GLU 31 N -1.77 0.06 0.20 -1.24 2.02 -0.01 -4.75 118.70 113.21 1dqt s GLU 31 Ca 0.60 0.27 0.06 0.00 0.02 0.00 0.00 54.97 55.93 1dqt s GLU 31 Cb -0.62 -0.52 -0.05 0.00 0.10 0.00 0.00 34.13 33.04 1dqt s GLU 31 CO 0.59 -0.27 -0.11 0.14 0.02 0.00 0.00 175.26 175.63 1dqt s VAL 32 N 1.79 1.50 -0.15 2.63 -7.23 -0.42 -0.57 120.40 117.95 1dqt s VAL 32 Ca 0.00 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 1dqt s VAL 32 Cb -0.12 -2.06 -0.00 0.00 0.56 0.00 0.00 36.38 34.75 1dqt s VAL 32 CO -0.03 -0.58 -0.16 -0.60 -0.31 0.00 0.00 175.10 173.42 1dqt s ARG 33 N -3.70 3.20 -0.08 4.82 3.00 -0.25 -0.20 118.95 125.74 1dqt s ARG 33 Ca 0.22 -0.76 0.03 0.00 -1.00 0.00 0.00 55.73 54.22 1dqt s ARG 33 Cb 0.01 -2.60 -0.02 0.00 0.00 0.00 0.00 34.95 32.34 1dqt s ARG 33 CO 0.06 0.03 -0.17 0.08 0.00 0.00 0.00 175.30 175.30 1dqt s VAL 34 N 0.78 2.77 -0.03 7.11 1.01 0.00 -0.69 120.40 131.35 1dqt s VAL 34 Ca -0.06 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.17 1dqt s VAL 34 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1dqt s VAL 34 CO 0.00 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.61 1dqt s THR 35 N -0.19 1.39 -0.21 3.92 2.01 0.18 -1.35 115.64 121.39 1dqt s THR 35 Ca -0.01 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 1dqt s THR 35 Cb -0.13 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1dqt s THR 35 CO 0.03 0.40 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.65 1dqt s VAL 36 N -0.16 3.70 -0.08 3.82 1.01 0.14 -0.55 120.40 128.28 1dqt s VAL 36 Ca 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1dqt s VAL 36 Cb -0.09 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1dqt s VAL 36 CO 0.01 0.42 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 1dqt s LEU 37 N 1.22 1.99 -0.15 3.92 1.43 0.21 0.03 118.68 127.33 1dqt s LEU 37 Ca 0.03 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 1dqt s LEU 37 Cb -0.14 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1dqt s LEU 37 CO 0.00 0.16 0.47 -0.60 0.23 0.00 0.00 176.35 176.61 1dqt s ARG 38 N 0.22 4.28 -0.19 1.70 3.52 0.57 0.11 118.95 129.15 1dqt s ARG 38 Ca -0.12 0.39 -0.07 0.00 -0.13 0.00 0.00 55.73 55.80 1dqt s ARG 38 Cb -0.16 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1dqt s ARG 38 CO 0.06 0.06 0.05 -1.14 -0.81 0.00 0.00 175.30 173.51 1dqt s GLN 39 N 0.97 3.87 0.00 5.12 0.74 0.22 -0.83 119.66 129.76 1dqt s GLN 39 Ca 0.24 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.25 1dqt s GLN 39 Cb -0.15 -3.19 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1dqt s GLN 39 CO 0.09 0.19 0.00 0.25 -0.55 0.00 0.00 175.29 175.27 1dqt n THR 40 N 3.78 0.00 -1.90 -0.34 -2.24 -0.37 -4.24 114.28 108.98 1dqt n THR 40 Ca -0.17 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1dqt n THR 40 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1dqt n THR 40 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1dqt s ASN 41 N 1.00 5.03 0.00 3.42 0.01 -1.26 -3.79 114.94 119.35 1dqt s ASN 41 Ca 0.00 0.58 0.00 0.00 -0.71 0.00 0.00 52.86 52.73 1dqt s ASN 41 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1dqt s ASN 41 CO 0.00 -2.51 0.00 0.47 -1.51 0.00 0.00 177.10 173.55 1dqt n ASP 42 N 13.64 0.00 -4.76 -1.22 9.92 -1.26 -4.94 116.55 127.94 1dqt n ASP 42 Ca 0.25 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.27 1dqt n ASP 42 Cb 0.53 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.90 1dqt n ASP 42 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1dqt s GLN 43 N 0.00 2.28 0.08 -1.24 -0.21 -1.25 -5.15 119.66 114.18 1dqt s GLN 43 Ca 0.00 -1.76 0.07 0.00 0.02 0.00 0.00 55.36 53.68 1dqt s GLN 43 Cb 0.00 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 1dqt s GLN 43 CO 0.00 -0.10 -0.18 -1.64 -2.12 0.00 0.00 175.29 171.25 1dqt s MET 44 N -3.93 1.02 -0.12 2.91 -1.94 -1.26 -1.24 119.30 114.74 1dqt s MET 44 Ca 0.42 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1dqt s MET 44 Cb 0.02 -1.15 0.02 0.00 2.01 0.00 0.00 34.83 35.73 1dqt s MET 44 CO 0.23 0.27 -0.15 0.99 -0.01 0.00 0.00 175.02 176.36 1dqt s THR 45 N -1.13 1.52 0.01 2.05 2.01 -0.01 -4.95 115.64 115.15 1dqt s THR 45 Ca 0.03 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 1dqt s THR 45 Cb -0.10 -1.41 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 1dqt s THR 45 CO 0.03 0.45 1.38 -0.70 -0.69 0.00 0.00 174.62 175.08 1dqt s GLU 46 N 1.19 4.30 -0.17 4.92 2.12 -1.26 -0.31 118.70 129.49 1dqt s GLU 46 Ca -0.02 1.95 -0.18 0.00 0.36 0.00 0.00 54.97 57.08 1dqt s GLU 46 Cb -0.14 -3.53 -0.22 0.00 0.26 0.00 0.00 34.13 30.50 1dqt s GLU 46 CO -0.05 -0.53 0.31 0.28 -0.54 0.00 0.00 175.26 174.72 1dqt h VAL 47 N 4.83 0.89 -2.02 3.70 2.07 -0.76 -3.47 116.25 121.48 1dqt h VAL 47 Ca -0.38 -2.25 0.19 0.00 0.82 0.00 0.00 66.70 65.08 1dqt h VAL 47 Cb 1.18 2.39 -0.13 0.00 -1.52 0.00 0.00 31.29 33.20 1dqt h VAL 47 CO 0.89 0.51 0.60 0.00 0.02 0.00 0.00 177.57 179.59 1dqt s ALA 49 N -2.93 -1.25 0.02 0.00 0.00 -1.26 -0.69 121.76 115.65 1dqt s ALA 49 Ca 0.09 0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 1dqt s ALA 49 Cb -0.00 0.78 0.10 0.00 0.00 0.00 0.00 23.12 23.99 1dqt s ALA 49 CO -0.04 -0.70 0.90 -0.08 0.00 0.00 0.00 175.76 175.84 1dqt s THR 50 N -3.75 0.00 -0.10 0.00 -1.32 -0.45 -4.69 115.64 105.32 1dqt s THR 50 Ca 0.02 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1dqt s THR 50 Cb 0.00 -1.16 -0.02 0.00 -1.51 0.00 0.00 72.50 69.81 1dqt s THR 50 CO -0.12 0.00 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.31 1dqt s THR 51 N -3.15 3.47 -0.24 5.08 2.01 -1.26 -0.82 115.64 120.73 1dqt s THR 51 Ca 0.06 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1dqt s THR 51 Cb -0.01 -2.44 0.04 0.00 0.01 0.00 0.00 72.50 70.10 1dqt s THR 51 CO -0.07 0.56 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.95 1dqt s PHE 52 N -0.25 3.08 -0.42 4.92 0.40 0.73 -4.91 117.98 121.53 1dqt s PHE 52 Ca 0.03 -1.86 0.21 0.00 -0.60 0.00 0.00 56.93 54.71 1dqt s PHE 52 Cb -0.13 -1.99 -0.29 0.00 0.51 0.00 0.00 43.02 41.12 1dqt s PHE 52 CO 0.03 -0.80 0.64 0.25 0.70 0.00 0.00 175.22 176.04 1dqt n THR 53 N 4.57 0.00 -3.76 0.64 -2.24 -1.26 -1.30 114.28 110.94 1dqt n THR 53 Ca -0.16 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 1dqt n THR 53 Cb 0.46 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 1dqt n THR 53 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1dqt s GLU 54 N -3.29 0.85 0.88 -0.78 -1.05 -1.26 -4.80 118.70 109.26 1dqt s GLU 54 Ca -0.01 -0.62 -0.12 0.00 -0.15 0.00 0.00 54.97 54.07 1dqt s GLU 54 Cb 0.15 0.36 0.12 0.00 -0.44 0.00 0.00 34.13 34.32 1dqt s GLU 54 CO 0.88 -0.28 1.15 0.15 0.95 0.00 0.00 175.26 178.11 1dqt s LYS 55 N -2.96 1.38 -1.54 -4.83 3.01 -1.26 -4.07 119.74 109.47 1dqt s LYS 55 Ca -0.02 0.26 -0.01 0.00 -1.01 0.00 0.00 55.97 55.18 1dqt s LYS 55 Cb 0.01 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 34.96 1dqt s LYS 55 CO -0.06 -2.03 0.11 0.09 0.51 0.00 0.00 175.35 173.97 1dqt n ASN 56 N -3.64 -5.34 -4.18 2.83 5.03 -1.17 -4.98 115.26 103.82 1dqt n ASN 56 Ca 0.07 -0.02 -0.24 0.00 0.87 0.00 0.00 54.58 55.27 1dqt n ASN 56 Cb 0.60 -4.44 -0.14 0.00 -1.02 0.00 0.00 39.78 34.77 1dqt n ASN 56 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1dqt s THR 57 N -2.95 1.37 -0.12 3.41 2.01 -1.26 -5.06 115.64 113.05 1dqt s THR 57 Ca 0.06 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1dqt s THR 57 Cb -0.03 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 1dqt s THR 57 CO 0.08 0.22 0.48 -0.69 -0.69 0.00 0.00 174.62 174.02 1dqt s VAL 58 N -0.64 5.19 0.12 3.82 1.01 -1.26 -4.03 120.40 124.61 1dqt s VAL 58 Ca 0.06 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1dqt s VAL 58 Cb -0.08 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1dqt s VAL 58 CO 0.01 0.32 0.11 0.61 0.00 0.00 0.00 175.10 176.14 1dqt n GLY 59 N 3.30 2.71 2.80 4.51 0.00 0.41 -4.67 105.19 114.26 1dqt n GLY 59 Ca -0.07 -2.18 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 1dqt n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dqt n PHE 60 N -0.90 -1.58 0.11 1.61 3.01 -1.26 -3.83 117.46 114.61 1dqt n PHE 60 Ca 0.01 0.29 0.18 0.00 1.01 0.00 0.00 57.45 58.93 1dqt n PHE 60 Cb 0.13 -3.95 0.74 0.00 -0.01 0.00 0.00 39.48 36.38 1dqt n PHE 60 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1dqt h LEU 61 N -0.74 0.00 -1.93 4.37 4.07 -1.86 -0.52 115.31 118.70 1dqt h LEU 61 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1dqt h LEU 61 Cb 1.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1dqt h LEU 61 CO 0.54 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 177.00 1dqt n ASP 62 N -4.14 2.87 -4.19 -0.43 3.85 -1.26 -4.77 116.55 108.48 1dqt n ASP 62 Ca 0.05 -1.92 -0.35 0.00 -0.71 0.00 0.00 54.79 51.85 1dqt n ASP 62 Cb 0.45 -0.25 -0.13 0.00 -1.35 0.00 0.00 41.12 39.84 1dqt n ASP 62 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1dqt s TYR 63 N -1.51 3.29 0.55 2.11 1.51 -0.20 -4.97 117.35 118.13 1dqt s TYR 63 Ca 0.37 -1.83 0.36 0.00 -1.01 0.00 0.00 57.07 54.96 1dqt s TYR 63 Cb 0.21 -2.22 2.00 0.00 -0.11 0.00 0.00 41.96 41.84 1dqt s TYR 63 CO 0.29 -0.80 2.26 -1.35 -1.11 0.00 0.00 175.55 174.83 1dqt h PRO 64 N 8.04 0.00 -0.41 -1.71 0.11 -1.86 -2.91 132.00 133.26 1dqt h PRO 64 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1dqt h PRO 64 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1dqt h PRO 64 CO 0.56 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 1dqt n PHE 65 N -3.41 0.83 -4.01 0.65 3.01 -1.26 -4.91 117.46 108.36 1dqt n PHE 65 Ca -0.02 -0.62 -0.08 0.00 1.01 0.00 0.00 57.45 57.73 1dqt n PHE 65 Cb 0.12 -0.14 -0.11 0.00 -0.01 0.00 0.00 39.48 39.34 1dqt n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dqt s SER 67 N -2.04 -0.35 0.00 0.00 0.15 -0.28 -4.68 113.70 106.51 1dqt s SER 67 Ca -0.07 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1dqt s SER 67 Cb -0.03 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1dqt s SER 67 CO -0.04 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.79 1dqt n GLY 68 N -0.43 0.64 3.18 9.45 0.00 -1.25 -1.05 105.19 115.73 1dqt n GLY 68 Ca -0.08 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 1dqt n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dqt s THR 69 N -2.00 0.48 0.03 2.61 -4.23 -0.67 -0.44 115.64 111.41 1dqt s THR 69 Ca 0.00 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1dqt s THR 69 Cb 0.00 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 1dqt s THR 69 CO 0.00 -0.62 -0.07 0.12 -0.54 0.00 0.00 174.62 173.51 1dqt s PHE 70 N -3.78 0.63 0.15 3.99 5.36 -1.26 -0.50 117.98 122.58 1dqt s PHE 70 Ca 0.19 -0.37 -0.13 0.00 -0.96 0.00 0.00 56.93 55.67 1dqt s PHE 70 Cb 0.06 -0.39 0.01 0.00 -0.34 0.00 0.00 43.02 42.37 1dqt s PHE 70 CO -0.00 -0.05 0.36 1.21 -1.46 0.00 0.00 175.22 175.28 1dqt s ASN 71 N -1.12 -0.09 0.01 6.13 3.84 -0.56 -3.03 114.94 120.12 1dqt s ASN 71 Ca -0.06 -0.61 -0.38 0.00 0.21 0.00 0.00 52.86 52.03 1dqt s ASN 71 Cb -0.07 0.47 -0.17 0.00 -0.55 0.00 0.00 41.25 40.93 1dqt s ASN 71 CO 0.00 -0.91 1.42 1.21 -2.79 0.00 0.00 177.10 176.03 1dqt n GLU 72 N -0.23 1.12 -0.77 0.43 2.13 -1.26 -1.18 120.64 120.88 1dqt n GLU 72 Ca -0.11 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1dqt n GLU 72 Cb 0.63 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1dqt n GLU 72 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1dqt n SER 73 N 3.10 0.00 -3.70 4.31 3.41 -1.26 -4.98 113.62 114.50 1dqt n SER 73 Ca 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1dqt n SER 73 Cb 0.17 -1.11 -0.11 0.00 -0.26 0.00 0.00 64.21 62.90 1dqt n SER 73 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1dqt s ARG 74 N -0.44 0.37 -0.13 4.33 3.52 -0.32 -1.49 118.95 124.78 1dqt s ARG 74 Ca 0.00 0.73 -0.00 0.00 -0.13 0.00 0.00 55.73 56.32 1dqt s ARG 74 Cb 0.00 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.35 1dqt s ARG 74 CO 0.00 -0.15 -0.12 0.08 -0.81 0.00 0.00 175.30 174.30 1dqt s VAL 75 N 1.29 3.11 -0.45 7.11 1.01 0.04 -1.50 120.40 131.01 1dqt s VAL 75 Ca -0.09 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1dqt s VAL 75 Cb -0.08 -2.31 0.05 0.00 0.00 0.00 0.00 36.38 34.03 1dqt s VAL 75 CO -0.11 0.52 0.42 0.20 0.00 0.00 0.00 175.10 176.13 1dqt s ASN 76 N 0.40 6.16 0.19 3.32 0.01 0.35 -0.24 114.94 125.12 1dqt s ASN 76 Ca -0.10 -1.01 -0.08 0.00 -0.71 0.00 0.00 52.86 50.96 1dqt s ASN 76 Cb -0.16 -2.20 -0.07 0.00 0.41 0.00 0.00 41.25 39.23 1dqt s ASN 76 CO 0.05 -0.62 0.49 -0.76 -1.51 0.00 0.00 177.10 174.75 1dqt s LEU 77 N 1.92 4.21 -0.08 0.60 1.43 -0.31 -1.68 118.68 124.77 1dqt s LEU 77 Ca 0.08 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1dqt s LEU 77 Cb -0.21 -3.51 0.05 0.00 0.03 0.00 0.00 46.19 42.55 1dqt s LEU 77 CO 0.10 -0.01 0.13 -0.89 0.23 0.00 0.00 176.35 175.90 1dqt s THR 78 N -1.73 -0.20 -0.15 5.49 2.01 -0.22 -1.36 115.64 119.47 1dqt s THR 78 Ca 0.44 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.72 1dqt s THR 78 Cb -0.12 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1dqt s THR 78 CO 0.22 0.11 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.58 1dqt s ILE 79 N 2.24 3.84 0.49 1.82 1.01 0.31 -1.13 121.20 129.80 1dqt s ILE 79 Ca 0.04 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.34 1dqt s ILE 79 Cb -0.13 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1dqt s ILE 79 CO -0.05 0.50 0.04 -1.10 0.00 0.00 0.00 174.94 174.33 1dqt s GLN 80 N 0.32 2.16 -1.79 2.79 -0.21 0.58 -0.69 119.66 122.81 1dqt s GLN 80 Ca -0.04 -2.29 0.00 0.00 0.02 0.00 0.00 55.36 53.04 1dqt s GLN 80 Cb -0.14 -1.61 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1dqt s GLN 80 CO 0.03 -0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.30 1dqt n GLY 81 N -1.25 1.25 3.77 3.09 0.00 -1.05 -4.81 105.19 106.19 1dqt n GLY 81 Ca -0.14 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1dqt n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dqt s LEU 82 N -4.28 4.39 0.35 0.99 1.43 -0.24 -5.01 118.68 116.31 1dqt s LEU 82 Ca 0.00 2.26 0.09 0.00 -1.03 0.00 0.00 54.13 55.45 1dqt s LEU 82 Cb 0.00 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 1dqt s LEU 82 CO 0.00 -0.34 -0.04 -0.13 0.23 0.00 0.00 176.35 176.07 1dqt s ARG 83 N -1.85 1.94 0.28 1.70 0.52 -1.26 -4.24 118.95 116.04 1dqt s ARG 83 Ca 0.50 -1.87 0.02 0.00 -0.52 0.00 0.00 55.73 53.86 1dqt s ARG 83 Cb -0.30 -1.80 0.64 0.00 0.52 0.00 0.00 34.95 34.01 1dqt s ARG 83 CO 0.38 0.13 1.73 0.00 0.02 0.00 0.00 175.30 177.56 1dqt h ALA 84 N 1.91 1.37 0.00 2.13 0.00 -1.93 0.36 119.26 123.10 1dqt h ALA 84 Ca -0.42 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1dqt h ALA 84 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1dqt h ALA 84 CO 0.69 -0.23 0.00 -0.39 0.00 0.00 0.00 179.25 179.32 1dqt h VAL 85 N 0.50 0.00 -0.00 0.00 -1.51 -1.96 -1.39 116.25 111.89 1dqt h VAL 85 Ca 0.52 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1dqt h VAL 85 Cb 0.88 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1dqt h VAL 85 CO -0.45 0.00 -0.06 0.47 -1.23 0.00 0.00 177.57 176.29 1dqt n ASP 86 N -2.56 0.28 -4.63 4.19 10.43 0.13 -4.86 116.55 119.53 1dqt n ASP 86 Ca -0.01 -0.49 -0.46 0.00 2.57 0.00 0.00 54.79 56.39 1dqt n ASP 86 Cb 0.09 -0.13 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 1dqt n ASP 86 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1dqt n THR 87 N -1.05 0.92 -3.79 -3.53 -1.04 -0.52 -4.82 114.28 100.45 1dqt n THR 87 Ca 0.15 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1dqt n THR 87 Cb 0.25 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1dqt n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dqt n GLY 88 N 2.10 -1.21 3.63 3.41 0.00 -0.69 -5.00 105.19 107.43 1dqt n GLY 88 Ca 0.13 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1dqt n GLY 88 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dqt s LEU 89 N 0.00 4.08 -0.20 0.99 2.96 -1.26 -0.37 118.68 124.87 1dqt s LEU 89 Ca 0.00 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1dqt s LEU 89 Cb 0.00 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1dqt s LEU 89 CO 0.00 -0.00 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.59 1dqt s TYR 90 N 1.41 2.87 0.02 5.38 1.51 -0.23 -0.61 117.35 127.71 1dqt s TYR 90 Ca 0.08 -1.35 -0.19 0.00 -1.01 0.00 0.00 57.07 54.61 1dqt s TYR 90 Cb -0.15 -2.01 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1dqt s TYR 90 CO 0.08 -0.70 0.54 -0.51 -1.11 0.00 0.00 175.55 173.85 1dqt s LEU 91 N 1.37 4.47 -0.20 -1.29 2.01 0.29 -0.50 118.68 124.83 1dqt s LEU 91 Ca 0.05 1.15 -0.07 0.00 0.01 0.00 0.00 54.13 55.27 1dqt s LEU 91 Cb -0.14 -2.83 -0.04 0.00 0.01 0.00 0.00 46.19 43.20 1dqt s LEU 91 CO -0.08 0.22 0.05 0.00 1.01 0.00 0.00 176.35 177.54 1dqt s LYS 93 N 0.71 2.86 -0.11 0.00 2.20 0.29 -1.19 119.74 124.50 1dqt s LYS 93 Ca 0.02 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 1dqt s LYS 93 Cb -0.14 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.92 1dqt s LYS 93 CO 0.02 0.27 -0.20 0.08 -0.36 0.00 0.00 175.35 175.16 1dqt s VAL 94 N 0.11 1.86 -0.18 4.02 1.01 -0.06 -0.64 120.40 126.53 1dqt s VAL 94 Ca -0.12 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.97 1dqt s VAL 94 Cb -0.16 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1dqt s VAL 94 CO 0.06 0.51 -0.10 -0.70 0.00 0.00 0.00 175.10 174.88 1dqt s GLU 95 N 0.67 3.33 -0.52 2.72 2.12 0.13 -0.95 118.70 126.21 1dqt s GLU 95 Ca -0.12 -0.68 -0.21 0.00 0.36 0.00 0.00 54.97 54.32 1dqt s GLU 95 Cb -0.16 -2.79 0.05 0.00 0.26 0.00 0.00 34.13 31.48 1dqt s GLU 95 CO 0.03 -0.02 0.76 -1.17 -0.54 0.00 0.00 175.26 174.32 1dqt s LEU 96 N 0.97 4.54 0.20 2.70 2.96 0.06 -1.09 118.68 129.02 1dqt s LEU 96 Ca -0.01 -0.60 0.15 0.00 -0.22 0.00 0.00 54.13 53.45 1dqt s LEU 96 Cb -0.15 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.88 1dqt s LEU 96 CO -0.01 -1.02 1.23 0.24 -1.32 0.00 0.00 176.35 175.47 1dqt h MET 97 N 9.11 0.00 -1.85 1.98 2.86 -1.14 -3.28 114.93 122.61 1dqt h MET 97 Ca -0.27 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1dqt h MET 97 Cb 1.09 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.52 1dqt h MET 97 CO 1.01 0.44 0.26 -0.47 1.06 0.00 0.00 176.91 179.21 1dqt s TYR 98 N -2.95 -0.65 0.65 -0.22 5.04 -1.15 -4.78 117.35 113.29 1dqt s TYR 98 Ca 0.02 1.50 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 1dqt s TYR 98 Cb 0.08 0.33 0.03 0.00 0.35 0.00 0.00 41.96 42.75 1dqt s TYR 98 CO 0.77 -0.36 0.97 -1.25 -1.34 0.00 0.00 175.55 174.34 1dqt s PRO 99 N 0.01 2.58 0.67 4.97 0.04 -1.26 -0.83 135.00 141.18 1dqt s PRO 99 Ca -0.01 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.78 1dqt s PRO 99 Cb -0.04 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1dqt s PRO 99 CO 0.00 -0.97 1.23 -2.14 0.04 0.00 0.00 177.00 175.16 1dqt s PRO 100 N -5.14 2.51 0.48 0.56 0.02 -1.26 -4.55 135.00 127.61 1dqt s PRO 100 Ca 0.57 1.86 -0.07 0.00 0.02 0.00 0.00 61.00 63.38 1dqt s PRO 100 Cb -0.11 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 1dqt s PRO 100 CO 0.45 -1.58 0.81 -1.25 -0.33 0.00 0.00 177.00 175.11 1dqt s PRO 101 N -3.60 3.60 0.38 5.54 0.04 -1.26 -5.14 135.00 134.56 1dqt s PRO 101 Ca 0.77 0.32 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 1dqt s PRO 101 Cb -0.32 -2.35 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 1dqt s PRO 101 CO 0.40 -0.21 1.19 -0.47 0.04 0.00 0.00 177.00 177.95 1dqt s TYR 102 N -2.71 3.10 0.06 0.56 5.04 -1.26 -4.96 117.35 117.18 1dqt s TYR 102 Ca 0.49 1.54 -0.21 0.00 -2.44 0.00 0.00 57.07 56.45 1dqt s TYR 102 Cb -0.10 -3.43 0.05 0.00 0.35 0.00 0.00 41.96 38.82 1dqt s TYR 102 CO 0.43 -1.35 0.50 -0.59 -1.34 0.00 0.00 175.55 173.20 1dqt s PHE 103 N -1.35 -0.39 -0.00 4.97 -0.12 -1.24 -5.02 117.98 114.83 1dqt s PHE 103 Ca 0.55 0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.83 1dqt s PHE 103 Cb -0.32 0.33 -0.00 0.00 -0.63 0.00 0.00 43.02 42.39 1dqt s PHE 103 CO 0.41 -0.65 -0.06 0.08 -0.05 0.00 0.00 175.22 174.95 1dqt s VAL 104 N -2.63 0.44 0.15 -2.49 1.01 -1.26 -0.76 120.40 114.86 1dqt s VAL 104 Ca -0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 1dqt s VAL 104 Cb -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1dqt s VAL 104 CO -0.03 0.12 0.19 -0.83 0.00 0.00 0.00 175.10 174.55 1dqt s GLY 105 N -0.14 0.68 -0.11 4.51 0.00 -0.12 -5.01 107.32 107.14 1dqt s GLY 105 Ca 0.02 -1.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.53 1dqt s GLY 105 CO -0.00 -1.05 0.28 -0.29 0.00 0.00 0.00 173.10 172.04 1dqt s MET 106 N -4.00 0.32 1.01 2.90 1.75 -1.26 -0.88 119.30 119.14 1dqt s MET 106 Ca 0.20 0.40 -0.17 0.00 -1.25 0.00 0.00 55.69 54.87 1dqt s MET 106 Cb 0.05 0.14 0.24 0.00 2.84 0.00 0.00 34.83 38.10 1dqt s MET 106 CO 0.01 -0.05 1.18 0.41 -0.65 0.00 0.00 175.02 175.93 1dqt n GLY 107 N 3.00 -1.91 0.45 2.11 0.00 -0.33 -4.51 105.19 104.00 1dqt n GLY 107 Ca -0.13 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.39 1dqt n GLY 107 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dqt n ASN 108 N -4.13 1.40 0.00 1.61 5.03 -1.26 -4.69 115.26 113.21 1dqt n ASN 108 Ca 0.15 -1.49 0.00 0.00 0.87 0.00 0.00 54.58 54.11 1dqt n ASN 108 Cb 0.55 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1dqt n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dqt n GLY 109 N 1.15 1.77 3.32 7.41 0.00 -1.26 -4.95 105.19 112.63 1dqt n GLY 109 Ca 0.19 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1dqt n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dqt s THR 110 N -2.17 3.04 -0.34 2.61 2.01 0.34 -4.60 115.64 116.53 1dqt s THR 110 Ca 0.00 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1dqt s THR 110 Cb 0.00 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.21 1dqt s THR 110 CO 0.00 0.49 1.11 -1.10 -0.69 0.00 0.00 174.62 174.43 1dqt s GLN 111 N 0.88 4.00 -0.32 4.92 -0.21 0.10 -1.06 119.66 127.97 1dqt s GLN 111 Ca -0.03 1.01 -0.09 0.00 0.02 0.00 0.00 55.36 56.28 1dqt s GLN 111 Cb -0.15 -3.78 0.01 0.00 1.00 0.00 0.00 33.01 30.09 1dqt s GLN 111 CO -0.00 -1.00 0.14 0.42 -2.12 0.00 0.00 175.29 172.73 1dqt s ILE 112 N 3.86 4.36 -0.21 1.08 1.01 0.50 -0.90 121.20 130.91 1dqt s ILE 112 Ca 0.47 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1dqt s ILE 112 Cb -0.12 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 1dqt s ILE 112 CO 0.19 -0.01 0.28 -0.31 0.00 0.00 0.00 174.94 175.09 1dqt s TYR 113 N 1.56 3.37 -0.10 3.97 1.51 -0.75 -1.70 117.35 125.21 1dqt s TYR 113 Ca 0.03 0.46 0.03 0.00 -1.01 0.00 0.00 57.07 56.58 1dqt s TYR 113 Cb -0.18 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.30 1dqt s TYR 113 CO 0.05 0.08 -0.19 0.08 -1.11 0.00 0.00 175.55 174.46 1dqt s VAL 114 N 1.00 1.72 -0.17 0.71 1.01 -1.26 -1.61 120.40 121.80 1dqt s VAL 114 Ca 0.14 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1dqt s VAL 114 Cb -0.14 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.77 1dqt s VAL 114 CO 0.05 0.48 -0.00 -0.63 0.00 0.00 0.00 175.10 175.00 1dqt s ILE 115 N 0.61 0.75 -0.92 2.22 1.01 -1.26 -4.24 121.20 119.36 1dqt s ILE 115 Ca -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1dqt s ILE 115 Cb -0.17 -1.08 0.24 0.00 0.01 0.00 0.00 42.46 41.47 1dqt s ILE 115 CO 0.04 -0.02 0.92 0.47 0.00 0.00 0.00 174.94 176.36 1dqt n ASP 116 N 4.99 4.63 0.00 3.58 8.00 -1.26 -4.71 116.55 131.77 1dqt n ASP 116 Ca -0.10 -3.20 0.04 0.00 0.71 0.00 0.00 54.79 52.24 1dqt n ASP 116 Cb 0.48 -1.08 0.24 0.00 -0.02 0.00 0.00 41.12 40.74 1dqt n ASP 116 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00