#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 0.55 -0.08 0.38 -2.07 0.46 -4.96 119.66 113.94 1dqt s GLN 2 Ca 0.00 0.90 0.05 0.00 -1.82 0.00 0.00 55.36 54.49 1dqt s GLN 2 Cb 0.00 0.14 -0.00 0.00 -1.09 0.00 0.00 33.01 32.05 1dqt s GLN 2 CO 0.00 -0.11 -0.24 0.08 -1.32 0.00 0.00 175.29 173.71 1dqt s VAL 3 N 1.29 2.00 0.08 3.63 1.01 -1.26 -0.82 120.40 126.32 1dqt s VAL 3 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1dqt s VAL 3 Cb -0.04 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1dqt s VAL 3 CO -0.15 0.55 -0.10 0.42 0.00 0.00 0.00 175.10 175.82 1dqt s THR 4 N 0.11 0.82 0.11 3.92 -4.23 0.10 -3.83 115.64 112.65 1dqt s THR 4 Ca -0.11 -1.45 -0.11 0.00 -1.18 0.00 0.00 61.69 58.84 1dqt s THR 4 Cb -0.16 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.57 1dqt s THR 4 CO 0.06 -0.49 0.27 0.00 -0.54 0.00 0.00 174.62 173.92 1dqt s GLN 5 N -2.37 0.97 0.63 3.99 -2.07 -1.26 -0.25 119.66 119.29 1dqt s GLN 5 Ca 0.00 -0.93 -0.18 0.00 -1.82 0.00 0.00 55.36 52.43 1dqt s GLN 5 Cb -0.05 0.39 -0.02 0.00 -1.09 0.00 0.00 33.01 32.23 1dqt s GLN 5 CO -0.00 -0.34 1.22 -2.14 -1.32 0.00 0.00 175.29 172.71 1dqt s PRO 6 N -3.87 2.76 0.09 9.60 0.02 -1.26 -4.87 135.00 137.48 1dqt s PRO 6 Ca 0.07 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 62.76 1dqt s PRO 6 Cb 0.04 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 1dqt s PRO 6 CO -0.09 -1.37 1.44 1.03 -0.33 0.00 0.00 177.00 177.68 1dqt h SER 7 N 0.60 0.65 -3.96 2.53 0.87 -1.95 -3.34 113.55 108.96 1dqt h SER 7 Ca -0.50 -0.43 -0.34 0.00 -1.23 0.00 0.00 61.79 59.28 1dqt h SER 7 Cb 1.30 -0.18 -0.28 0.00 -0.44 0.00 0.00 62.40 62.80 1dqt h SER 7 CO 0.54 0.95 -0.76 -0.69 -0.53 0.00 0.00 176.83 176.33 1dqt s VAL 8 N -4.51 0.51 -0.04 2.23 1.01 -1.26 -0.24 120.40 118.10 1dqt s VAL 8 Ca -0.13 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1dqt s VAL 8 Cb 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.06 1dqt s VAL 8 CO 0.80 0.13 -0.02 -0.69 0.00 0.00 0.00 175.10 175.32 1dqt s VAL 9 N -0.17 0.37 -0.36 2.92 1.01 -0.37 -4.92 120.40 118.88 1dqt s VAL 9 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1dqt s VAL 9 Cb -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 1dqt s VAL 9 CO -0.00 0.19 0.39 -0.76 0.00 0.00 0.00 175.10 174.92 1dqt s LEU 10 N 1.03 4.51 0.79 3.92 1.43 -1.26 -1.28 118.68 127.81 1dqt s LEU 10 Ca -0.10 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1dqt s LEU 10 Cb -0.14 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 43.78 1dqt s LEU 10 CO -0.01 -0.40 1.13 0.00 0.23 0.00 0.00 176.35 177.30 1dqt s ALA 11 N 2.07 2.06 0.70 4.21 0.00 -0.25 -4.93 121.76 125.63 1dqt s ALA 11 Ca 0.12 0.50 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 1dqt s ALA 11 Cb -0.17 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1dqt s ALA 11 CO 0.12 -1.97 1.07 -1.54 0.00 0.00 0.00 175.76 173.43 1dqt s SER 12 N -2.85 5.38 0.61 0.00 1.04 0.55 -4.63 113.70 113.80 1dqt s SER 12 Ca 0.66 1.42 0.30 0.00 0.48 0.00 0.00 55.95 58.81 1dqt s SER 12 Cb -0.21 -2.29 1.71 0.00 0.10 0.00 0.00 66.02 65.33 1dqt s SER 12 CO 0.52 -1.41 2.08 0.77 0.98 0.00 0.00 173.24 176.18 1dqt h SER 13 N -0.70 0.00 -0.54 7.02 4.64 -1.90 0.45 113.55 122.52 1dqt h SER 13 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1dqt h SER 13 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1dqt h SER 13 CO 0.60 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.97 1dqt n HIS 14 N -3.60 1.00 -1.90 4.77 8.25 -1.26 -4.67 115.22 117.80 1dqt n HIS 14 Ca 0.01 -0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 1dqt n HIS 14 Cb 0.34 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 1.16 0.39 3.58 -1.41 0.00 0.16 -4.55 105.19 104.53 1dqt n GLY 15 Ca 0.20 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.00 4.12 -0.15 1.61 1.01 -1.25 -1.26 120.40 122.48 1dqt s VAL 16 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 1dqt s VAL 16 Cb 0.00 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1dqt s VAL 16 CO 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.61 1dqt s ALA 17 N -0.16 1.26 -0.04 5.51 0.00 0.46 -0.33 121.76 128.46 1dqt s ALA 17 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.38 1dqt s ALA 17 Cb -0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 1dqt s ALA 17 CO 0.02 -0.79 -0.23 -1.12 0.00 0.00 0.00 175.76 173.64 1dqt s SER 18 N 1.73 2.80 0.08 0.00 0.01 -1.26 -0.05 113.70 117.01 1dqt s SER 18 Ca 0.01 -0.45 -0.26 0.00 1.31 0.00 0.00 55.95 56.57 1dqt s SER 18 Cb -0.15 -0.59 0.08 0.00 0.21 0.00 0.00 66.02 65.56 1dqt s SER 18 CO -0.07 0.25 0.68 0.72 0.41 0.00 0.00 173.24 175.23 1dqt s PHE 19 N -0.28 -0.51 0.30 2.43 -0.71 -0.29 -5.00 117.98 113.92 1dqt s PHE 19 Ca 0.01 0.44 -0.09 0.00 -1.04 0.00 0.00 56.93 56.25 1dqt s PHE 19 Cb -0.12 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.16 1dqt s PHE 19 CO 0.02 -0.74 0.62 -1.25 -1.34 0.00 0.00 175.22 172.53 1dqt s PRO 20 N -3.15 3.76 -0.19 1.99 0.04 -1.26 -1.00 135.00 135.19 1dqt s PRO 20 Ca -0.00 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1dqt s PRO 20 Cb -0.01 -2.57 0.04 0.00 0.04 0.00 0.00 34.50 32.00 1dqt s PRO 20 CO -0.08 0.19 -0.08 0.00 0.04 0.00 0.00 177.00 177.07 1dqt s GLU 22 N 1.48 2.62 0.06 0.00 2.02 0.65 -0.79 118.70 124.74 1dqt s GLU 22 Ca -0.01 -0.98 -0.06 0.00 0.02 0.00 0.00 54.97 53.95 1dqt s GLU 22 Cb -0.16 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 1dqt s GLU 22 CO -0.08 0.48 0.11 1.52 0.02 0.00 0.00 175.26 177.31 1dqt s TYR 23 N -1.68 0.25 -0.02 1.61 1.13 -0.91 0.03 117.35 117.76 1dqt s TYR 23 Ca 0.29 -0.66 -0.07 0.00 -1.41 0.00 0.00 57.07 55.22 1dqt s TYR 23 Cb -0.10 -0.16 0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1dqt s TYR 23 CO 0.20 -0.44 0.15 -1.12 -2.51 0.00 0.00 175.55 171.83 1dqt s SER 24 N -2.59 -0.03 0.67 -0.18 0.01 -0.00 -4.52 113.70 107.05 1dqt s SER 24 Ca 0.02 -0.05 -0.10 0.00 1.31 0.00 0.00 55.95 57.13 1dqt s SER 24 Cb 0.03 0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.52 1dqt s SER 24 CO -0.08 -0.28 1.04 -2.16 0.41 0.00 0.00 173.24 172.16 1dqt s PRO 25 N -0.97 2.90 0.16 12.44 0.04 -1.26 -0.40 135.00 147.90 1dqt s PRO 25 Ca -0.11 0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.31 1dqt s PRO 25 Cb -0.06 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1dqt s PRO 25 CO 0.01 -0.92 -0.10 -1.54 0.04 0.00 0.00 177.00 174.49 1dqt s SER 26 N -4.34 1.89 0.08 6.66 1.04 -1.26 -5.00 113.70 112.77 1dqt s SER 26 Ca 0.57 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.95 1dqt s SER 26 Cb -0.11 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1dqt s SER 26 CO 0.50 -0.33 0.01 -1.00 0.98 0.00 0.00 173.24 173.40 1dqt s HIS 27 N -3.29 0.59 0.57 5.02 3.76 -1.26 -5.02 115.29 115.65 1dqt s HIS 27 Ca 0.19 -1.08 0.25 0.00 -0.15 0.00 0.00 55.06 54.26 1dqt s HIS 27 Cb 0.02 -0.39 1.62 0.00 1.11 0.00 0.00 32.58 34.95 1dqt s HIS 27 CO 0.02 -0.43 2.21 -0.91 -0.85 0.00 0.00 174.74 174.77 1dqt h ASN 28 N 3.04 0.00 -0.57 1.40 -0.26 -2.00 -2.67 115.58 114.52 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 1.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.42 1dqt h ASN 28 CO 0.63 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 177.35 1dqt n THR 29 N -4.09 1.64 -1.64 2.81 -2.24 -1.26 -4.97 114.28 104.53 1dqt n THR 29 Ca -0.02 -1.22 -0.44 0.00 -2.27 0.00 0.00 64.05 60.10 1dqt n THR 29 Cb 0.11 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.91 1.98 -3.82 3.42 10.43 -1.01 -4.20 116.55 124.26 1dqt n ASP 30 Ca 0.23 1.19 -0.20 0.00 2.57 0.00 0.00 54.79 58.58 1dqt n ASP 30 Cb 0.78 -1.38 -0.17 0.00 1.84 0.00 0.00 41.12 42.19 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 -1.72 0.52 0.19 -1.24 2.02 0.17 -4.74 118.70 113.90 1dqt s GLU 31 Ca 0.57 0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.69 1dqt s GLU 31 Cb -0.64 -0.73 -0.05 0.00 0.10 0.00 0.00 34.13 32.82 1dqt s GLU 31 CO 0.61 -0.18 -0.14 0.14 0.02 0.00 0.00 175.26 175.71 1dqt s VAL 32 N 1.34 1.63 -0.18 2.63 -7.23 -0.16 -0.72 120.40 117.71 1dqt s VAL 32 Ca -0.05 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 57.96 1dqt s VAL 32 Cb -0.13 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 1dqt s VAL 32 CO -0.02 -0.59 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.48 1dqt s ARG 33 N -3.55 3.35 -0.09 4.82 6.06 -0.57 0.27 118.95 129.24 1dqt s ARG 33 Ca 0.20 -0.67 0.02 0.00 -2.50 0.00 0.00 55.73 52.79 1dqt s ARG 33 Cb -0.01 -2.82 -0.02 0.00 0.06 0.00 0.00 34.95 32.16 1dqt s ARG 33 CO 0.06 -0.04 -0.15 0.08 -2.50 0.00 0.00 175.30 172.74 1dqt s VAL 34 N 1.02 2.90 -0.06 7.11 1.01 0.44 -1.12 120.40 131.70 1dqt s VAL 34 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1dqt s VAL 34 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1dqt s VAL 34 CO -0.01 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.63 1dqt s THR 35 N -0.06 1.10 -0.24 3.92 2.01 0.28 -1.06 115.64 121.58 1dqt s THR 35 Ca -0.03 -0.47 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 1dqt s THR 35 Cb -0.14 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1dqt s THR 35 CO 0.04 0.34 0.12 -0.69 -0.69 0.00 0.00 174.62 173.74 1dqt s VAL 36 N 0.57 4.89 -0.05 3.82 1.01 0.09 -0.27 120.40 130.46 1dqt s VAL 36 Ca -0.12 0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1dqt s VAL 36 Cb -0.15 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 1dqt s VAL 36 CO 0.03 0.34 -0.19 -0.76 0.00 0.00 0.00 175.10 174.52 1dqt s LEU 37 N 1.33 1.94 -0.15 3.92 1.43 0.11 -0.16 118.68 127.10 1dqt s LEU 37 Ca 0.06 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1dqt s LEU 37 Cb -0.15 -1.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1dqt s LEU 37 CO 0.05 0.16 0.30 -0.60 0.23 0.00 0.00 176.35 176.50 1dqt s ARG 38 N 0.06 4.20 -0.17 1.70 3.52 -0.11 0.18 118.95 128.32 1dqt s ARG 38 Ca -0.06 0.13 -0.07 0.00 -0.13 0.00 0.00 55.73 55.60 1dqt s ARG 38 Cb -0.13 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1dqt s ARG 38 CO 0.03 0.29 0.05 -1.14 -0.81 0.00 0.00 175.30 173.72 1dqt s GLN 39 N 0.30 3.90 0.00 5.12 0.74 0.31 -0.83 119.66 129.19 1dqt s GLN 39 Ca 0.17 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.21 1dqt s GLN 39 Cb -0.13 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.82 1dqt s GLN 39 CO 0.05 0.29 0.00 0.25 -0.55 0.00 0.00 175.29 175.33 1dqt n THR 40 N 3.47 0.00 -1.81 -0.34 -2.24 -0.12 -4.28 114.28 108.96 1dqt n THR 40 Ca -0.17 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 1dqt n THR 40 Cb 0.52 0.00 -0.04 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 4.80 0.00 3.42 0.01 -1.26 -3.65 114.94 119.26 1dqt s ASN 41 Ca 0.00 0.47 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 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 -2.76 0.00 0.47 -1.51 0.00 0.00 177.10 173.30 1dqt n ASP 42 N 14.68 0.00 -4.74 -1.22 9.92 -1.26 -4.94 116.55 128.99 1dqt n ASP 42 Ca 0.31 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.32 1dqt n ASP 42 Cb 0.52 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.89 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 2.22 0.05 -1.24 -0.21 -1.24 -5.15 119.66 114.10 1dqt s GLN 43 Ca 0.00 -1.86 0.05 0.00 0.02 0.00 0.00 55.36 53.57 1dqt s GLN 43 Cb 0.00 -1.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.01 1dqt s GLN 43 CO 0.00 -0.13 -0.14 -1.64 -2.12 0.00 0.00 175.29 171.26 1dqt s MET 44 N -3.91 0.91 -0.12 2.91 -1.94 -1.26 -0.94 119.30 114.95 1dqt s MET 44 Ca 0.40 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.59 1dqt s MET 44 Cb 0.04 -0.93 0.00 0.00 2.01 0.00 0.00 34.83 35.96 1dqt s MET 44 CO 0.22 0.22 -0.23 0.99 -0.01 0.00 0.00 175.02 176.22 1dqt s THR 45 N -0.99 2.01 0.04 2.05 2.01 -0.01 -4.94 115.64 115.82 1dqt s THR 45 Ca 0.01 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 60.73 1dqt s THR 45 Cb -0.09 -1.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 1dqt s THR 45 CO 0.02 0.55 1.28 -0.70 -0.69 0.00 0.00 174.62 175.07 1dqt s GLU 46 N 0.56 4.37 -0.18 4.92 2.12 -1.26 -0.93 118.70 128.30 1dqt s GLU 46 Ca -0.14 1.85 -0.16 0.00 0.36 0.00 0.00 54.97 56.88 1dqt s GLU 46 Cb -0.17 -3.40 -0.22 0.00 0.26 0.00 0.00 34.13 30.60 1dqt s GLU 46 CO 0.04 -0.38 0.26 0.28 -0.54 0.00 0.00 175.26 174.92 1dqt n VAL 47 N 4.17 1.63 -3.67 3.70 0.31 0.77 -4.93 118.33 120.31 1dqt n VAL 47 Ca 0.11 -0.25 -0.03 0.00 -0.01 0.00 0.00 64.34 64.15 1dqt n VAL 47 Cb 0.45 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.43 1dqt n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dqt s ALA 49 N -3.03 -1.64 0.18 0.00 0.00 -1.26 -0.73 121.76 115.28 1dqt s ALA 49 Ca 0.11 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 1dqt s ALA 49 Cb -0.00 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.88 1dqt s ALA 49 CO -0.01 -0.69 0.75 -0.08 0.00 0.00 0.00 175.76 175.73 1dqt s THR 50 N -3.25 0.00 -0.06 0.00 -1.32 -0.23 -4.71 115.64 106.07 1dqt s THR 50 Ca -0.01 -0.51 0.04 0.00 -1.21 0.00 0.00 61.69 60.00 1dqt s THR 50 Cb -0.01 -1.57 -0.02 0.00 -1.51 0.00 0.00 72.50 69.39 1dqt s THR 50 CO -0.09 0.00 -0.16 -0.89 -2.21 0.00 0.00 174.62 171.27 1dqt s THR 51 N -3.65 2.86 -0.16 5.08 2.01 -1.26 -0.42 115.64 120.09 1dqt s THR 51 Ca 0.07 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1dqt s THR 51 Cb -0.03 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1dqt s THR 51 CO -0.02 0.58 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.93 1dqt s PHE 52 N -0.46 2.65 -0.60 4.92 0.40 0.14 -4.90 117.98 120.13 1dqt s PHE 52 Ca 0.05 -1.50 0.12 0.00 -0.60 0.00 0.00 56.93 55.01 1dqt s PHE 52 Cb -0.12 -1.84 -0.13 0.00 0.51 0.00 0.00 43.02 41.44 1dqt s PHE 52 CO 0.02 -0.73 0.54 0.25 0.70 0.00 0.00 175.22 175.99 1dqt n THR 53 N 4.49 0.00 -3.67 0.64 -2.24 -1.26 -0.98 114.28 111.25 1dqt n THR 53 Ca -0.20 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1dqt n THR 53 Cb 0.50 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 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 -2.18 0.94 0.89 -0.78 -1.05 -1.26 -4.81 118.70 110.45 1dqt s GLU 54 Ca 0.05 -0.46 -0.13 0.00 -0.15 0.00 0.00 54.97 54.28 1dqt s GLU 54 Cb 0.10 0.42 0.13 0.00 -0.44 0.00 0.00 34.13 34.33 1dqt s GLU 54 CO 0.51 -0.33 1.17 0.15 0.95 0.00 0.00 175.26 177.71 1dqt s LYS 55 N -2.79 1.29 -1.87 -4.83 3.01 -1.26 -4.00 119.74 109.30 1dqt s LYS 55 Ca -0.03 0.13 0.00 0.00 -1.01 0.00 0.00 55.97 55.05 1dqt s LYS 55 Cb -0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 34.95 1dqt s LYS 55 CO -0.05 -2.06 0.00 0.09 0.51 0.00 0.00 175.35 173.84 1dqt n ASN 56 N -3.64 -5.78 -4.16 2.83 5.03 -1.22 -4.98 115.26 103.34 1dqt n ASN 56 Ca 0.08 0.11 -0.28 0.00 0.87 0.00 0.00 54.58 55.37 1dqt n ASN 56 Cb 0.60 -4.88 -0.16 0.00 -1.02 0.00 0.00 39.78 34.32 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 -2.97 1.58 -0.02 3.41 2.01 -1.26 -5.06 115.64 113.33 1dqt s THR 57 Ca 0.00 -0.79 -0.26 0.00 0.31 0.00 0.00 61.69 60.95 1dqt s THR 57 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1dqt s THR 57 CO 0.00 0.45 0.83 -0.69 -0.69 0.00 0.00 174.62 174.52 1dqt s VAL 58 N 0.10 4.91 0.04 3.82 1.01 -1.26 -4.08 120.40 124.94 1dqt s VAL 58 Ca -0.07 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.65 1dqt s VAL 58 Cb -0.13 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1dqt s VAL 58 CO 0.03 0.24 0.03 0.61 0.00 0.00 0.00 175.10 176.01 1dqt n GLY 59 N 2.89 3.02 2.42 4.51 0.00 0.51 -4.71 105.19 113.83 1dqt n GLY 59 Ca 0.01 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.60 -0.82 -0.17 1.61 3.01 -1.26 -3.82 117.46 115.41 1dqt n PHE 60 Ca -0.00 0.00 0.23 0.00 1.01 0.00 0.00 57.45 58.69 1dqt n PHE 60 Cb 0.05 -3.54 0.63 0.00 -0.01 0.00 0.00 39.48 36.60 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 0.00 0.17 -1.72 4.37 4.07 -1.85 -0.05 115.31 120.30 1dqt h LEU 61 Ca -0.43 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1dqt h LEU 61 Cb 1.30 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1dqt h LEU 61 CO 0.54 0.07 0.00 -0.90 -1.08 0.00 0.00 178.44 177.06 1dqt n ASP 62 N -4.39 2.51 -4.08 -0.43 3.85 -1.26 -4.71 116.55 108.05 1dqt n ASP 62 Ca 0.17 -2.01 -0.32 0.00 -0.71 0.00 0.00 54.79 51.92 1dqt n ASP 62 Cb 0.78 -0.32 -0.15 0.00 -1.35 0.00 0.00 41.12 40.08 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 -1.39 3.28 0.49 2.11 1.51 -0.03 -5.00 117.35 118.31 1dqt s TYR 63 Ca 0.31 -2.31 0.14 0.00 -1.01 0.00 0.00 57.07 54.20 1dqt s TYR 63 Cb 0.16 -1.96 1.16 0.00 -0.11 0.00 0.00 41.96 41.22 1dqt s TYR 63 CO 0.21 -0.88 2.11 -1.35 -1.11 0.00 0.00 175.55 174.53 1dqt h PRO 64 N 7.78 0.16 -0.65 -1.71 0.11 -1.84 -2.95 132.00 132.90 1dqt h PRO 64 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1dqt h PRO 64 Cb 1.04 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1dqt h PRO 64 CO 0.47 0.10 0.00 1.19 -0.21 0.00 0.00 178.00 179.55 1dqt n PHE 65 N -4.51 1.41 -4.01 0.65 3.01 -1.26 -4.91 117.46 107.84 1dqt n PHE 65 Ca 0.00 -0.60 -0.12 0.00 1.01 0.00 0.00 57.45 57.74 1dqt n PHE 65 Cb 0.13 -0.22 -0.12 0.00 -0.01 0.00 0.00 39.48 39.26 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 -1.01 -0.11 0.00 0.00 0.15 -0.35 -4.70 113.70 107.67 1dqt s SER 67 Ca -0.09 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1dqt s SER 67 Cb -0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1dqt s SER 67 CO -0.00 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.03 1dqt n GLY 68 N -0.30 0.74 3.26 9.45 0.00 -1.25 -0.98 105.19 116.11 1dqt n GLY 68 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 0.44 -0.00 2.61 -4.23 -0.72 -0.36 115.64 111.38 1dqt s THR 69 Ca 0.00 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1dqt s THR 69 Cb 0.00 -2.42 -0.00 0.00 1.34 0.00 0.00 72.50 71.42 1dqt s THR 69 CO 0.00 -0.17 0.05 0.12 -0.54 0.00 0.00 174.62 174.08 1dqt s PHE 70 N -3.83 0.07 0.16 3.99 5.36 -1.26 -1.02 117.98 121.46 1dqt s PHE 70 Ca 0.33 -0.15 -0.12 0.00 -0.96 0.00 0.00 56.93 56.03 1dqt s PHE 70 Cb 0.07 -0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1dqt s PHE 70 CO 0.10 -0.16 0.36 1.21 -1.46 0.00 0.00 175.22 175.27 1dqt s ASN 71 N -0.87 -0.07 0.03 6.13 3.84 -0.75 -3.41 114.94 119.84 1dqt s ASN 71 Ca -0.10 -0.67 -0.38 0.00 0.21 0.00 0.00 52.86 51.93 1dqt s ASN 71 Cb -0.06 0.47 -0.17 0.00 -0.55 0.00 0.00 41.25 40.94 1dqt s ASN 71 CO 0.00 -0.92 1.34 1.21 -2.79 0.00 0.00 177.10 175.94 1dqt n GLU 72 N -0.24 0.94 -0.86 0.43 2.13 -1.26 -1.28 120.64 120.51 1dqt n GLU 72 Ca -0.10 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1dqt n GLU 72 Cb 0.63 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 2.67 -1.66 -3.68 4.31 3.41 -1.26 -4.98 113.62 112.43 1dqt n SER 73 Ca 0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1dqt n SER 73 Cb 0.16 -1.43 -0.09 0.00 -0.26 0.00 0.00 64.21 62.59 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 -0.63 0.54 -0.15 4.33 3.52 -0.40 -2.14 118.95 124.01 1dqt s ARG 74 Ca 0.00 0.92 -0.01 0.00 -0.13 0.00 0.00 55.73 56.51 1dqt s ARG 74 Cb 0.00 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.47 1dqt s ARG 74 CO 0.00 -0.14 -0.12 0.08 -0.81 0.00 0.00 175.30 174.31 1dqt s VAL 75 N 1.26 3.02 -0.48 7.11 1.01 0.03 -1.80 120.40 130.54 1dqt s VAL 75 Ca -0.08 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1dqt s VAL 75 Cb -0.06 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.08 1dqt s VAL 75 CO -0.12 0.51 0.54 0.20 0.00 0.00 0.00 175.10 176.22 1dqt s ASN 76 N 0.65 6.20 0.11 3.32 0.01 -0.19 -0.26 114.94 124.80 1dqt s ASN 76 Ca -0.06 -0.97 -0.04 0.00 -0.71 0.00 0.00 52.86 51.07 1dqt s ASN 76 Cb -0.15 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1dqt s ASN 76 CO 0.02 -0.79 0.34 -0.76 -1.51 0.00 0.00 177.10 174.41 1dqt s LEU 77 N 2.32 4.30 -0.03 0.60 1.43 -0.17 -1.75 118.68 125.36 1dqt s LEU 77 Ca 0.12 0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1dqt s LEU 77 Cb -0.20 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.87 1dqt s LEU 77 CO 0.11 0.10 0.04 -0.89 0.23 0.00 0.00 176.35 175.94 1dqt s THR 78 N -1.59 -0.05 -0.16 5.49 2.01 -0.15 -1.13 115.64 120.05 1dqt s THR 78 Ca 0.38 0.31 -0.00 0.00 0.31 0.00 0.00 61.69 62.69 1dqt s THR 78 Cb -0.12 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.24 1dqt s THR 78 CO 0.24 0.14 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.54 1dqt s ILE 79 N 1.63 2.71 0.51 1.82 1.01 0.93 -1.21 121.20 128.60 1dqt s ILE 79 Ca -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1dqt s ILE 79 Cb -0.13 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.20 1dqt s ILE 79 CO -0.03 0.51 0.27 -1.10 0.00 0.00 0.00 174.94 174.58 1dqt s GLN 80 N 0.91 2.24 -1.85 2.79 -0.21 0.07 -0.41 119.66 123.20 1dqt s GLN 80 Ca -0.03 -2.08 0.00 0.00 0.02 0.00 0.00 55.36 53.26 1dqt s GLN 80 Cb -0.15 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.92 1dqt s GLN 80 CO -0.01 -0.47 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 1dqt n GLY 81 N -1.56 0.33 3.76 3.09 0.00 -1.11 -4.83 105.19 104.88 1dqt n GLY 81 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.53 4.45 0.44 0.99 1.43 -0.39 -5.03 118.68 115.03 1dqt s LEU 82 Ca 0.00 2.19 0.06 0.00 -1.03 0.00 0.00 54.13 55.34 1dqt s LEU 82 Cb 0.00 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 1dqt s LEU 82 CO 0.00 -0.22 0.02 -0.13 0.23 0.00 0.00 176.35 176.24 1dqt s ARG 83 N -1.72 2.03 0.29 1.70 0.52 -1.26 -4.35 118.95 116.16 1dqt s ARG 83 Ca 0.48 -2.17 0.03 0.00 -0.52 0.00 0.00 55.73 53.54 1dqt s ARG 83 Cb -0.29 -1.63 0.60 0.00 0.52 0.00 0.00 34.95 34.16 1dqt s ARG 83 CO 0.37 -0.13 1.83 0.00 0.02 0.00 0.00 175.30 177.38 1dqt h ALA 84 N 1.65 1.56 0.00 2.13 0.00 -1.97 0.28 119.26 122.91 1dqt h ALA 84 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1dqt h ALA 84 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1dqt h ALA 84 CO 0.79 0.17 0.00 1.33 0.00 0.00 0.00 179.25 181.53 1dqt n VAL 85 N -4.64 1.05 1.18 0.00 0.24 -1.26 -2.86 118.33 112.04 1dqt n VAL 85 Ca 0.20 0.43 0.13 0.00 -2.04 0.00 0.00 64.34 63.06 1dqt n VAL 85 Cb 0.40 -1.37 0.41 0.00 -1.47 0.00 0.00 33.84 31.81 1dqt n VAL 85 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1dqt n ASP 86 N -2.07 0.63 -4.77 -1.34 10.43 0.97 -4.90 116.55 115.51 1dqt n ASP 86 Ca 0.01 -0.48 -0.39 0.00 2.57 0.00 0.00 54.79 56.50 1dqt n ASP 86 Cb 0.13 0.07 0.00 0.00 1.84 0.00 0.00 41.12 43.16 1dqt n ASP 86 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1dqt s THR 87 N -2.71 2.57 -4.46 -3.53 -4.23 -1.13 -4.86 115.64 97.30 1dqt s THR 87 Ca 0.20 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 1dqt s THR 87 Cb 0.19 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1dqt s THR 87 CO 0.57 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 1dqt n GLY 88 N 0.64 -0.86 3.72 3.99 0.00 -0.66 -4.99 105.19 107.03 1dqt n GLY 88 Ca 0.05 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 4.22 -0.22 0.99 2.96 -1.26 -0.58 118.68 124.80 1dqt s LEU 89 Ca 0.00 0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 1dqt s LEU 89 Cb 0.00 -2.32 0.04 0.00 0.50 0.00 0.00 46.19 44.41 1dqt s LEU 89 CO 0.00 0.10 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.69 1dqt s TYR 90 N 0.54 2.83 0.10 5.38 1.51 -0.45 -0.53 117.35 126.73 1dqt s TYR 90 Ca 0.15 -1.87 -0.17 0.00 -1.01 0.00 0.00 57.07 54.17 1dqt s TYR 90 Cb -0.13 -1.82 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 1dqt s TYR 90 CO 0.03 -0.81 0.55 -0.51 -1.11 0.00 0.00 175.55 173.69 1dqt s LEU 91 N 1.26 4.43 -0.21 -1.29 2.01 0.47 -0.91 118.68 124.44 1dqt s LEU 91 Ca -0.02 1.15 -0.07 0.00 0.01 0.00 0.00 54.13 55.20 1dqt s LEU 91 Cb -0.17 -3.05 -0.03 0.00 0.01 0.00 0.00 46.19 42.95 1dqt s LEU 91 CO -0.08 0.20 0.06 0.00 1.01 0.00 0.00 176.35 177.53 1dqt s LYS 93 N 1.03 3.11 -0.09 0.00 2.20 0.63 -0.99 119.74 125.64 1dqt s LYS 93 Ca 0.04 -0.77 0.03 0.00 -0.36 0.00 0.00 55.97 54.91 1dqt s LYS 93 Cb -0.14 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.73 1dqt s LYS 93 CO 0.03 0.26 -0.19 0.08 -0.36 0.00 0.00 175.35 175.17 1dqt s VAL 94 N 0.19 1.65 -0.16 4.02 1.01 -0.06 -0.56 120.40 126.50 1dqt s VAL 94 Ca -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1dqt s VAL 94 Cb -0.16 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1dqt s VAL 94 CO 0.06 0.47 -0.15 -0.70 0.00 0.00 0.00 175.10 174.78 1dqt s GLU 95 N 0.53 3.20 -0.45 2.72 2.12 -0.27 -0.93 118.70 125.62 1dqt s GLU 95 Ca -0.16 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.19 1dqt s GLU 95 Cb -0.17 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.61 1dqt s GLU 95 CO 0.06 -0.02 0.77 -1.17 -0.54 0.00 0.00 175.26 174.35 1dqt s LEU 96 N 0.91 4.29 0.18 2.70 2.96 0.30 -1.52 118.68 128.50 1dqt s LEU 96 Ca -0.03 -0.16 0.16 0.00 -0.22 0.00 0.00 54.13 53.88 1dqt s LEU 96 Cb -0.15 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 1dqt s LEU 96 CO -0.02 -0.91 1.15 0.24 -1.32 0.00 0.00 176.35 175.49 1dqt h MET 97 N 8.98 0.00 -1.57 1.98 2.86 -1.23 -3.29 114.93 122.65 1dqt h MET 97 Ca -0.25 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1dqt h MET 97 Cb 1.09 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.50 1dqt h MET 97 CO 0.96 0.36 0.50 -0.47 1.06 0.00 0.00 176.91 179.32 1dqt s TYR 98 N -2.98 -0.42 0.66 -0.22 5.04 -1.16 -4.77 117.35 113.50 1dqt s TYR 98 Ca 0.01 0.91 -0.08 0.00 -2.44 0.00 0.00 57.07 55.47 1dqt s TYR 98 Cb 0.08 0.40 0.03 0.00 0.35 0.00 0.00 41.96 42.82 1dqt s TYR 98 CO 0.78 -0.28 1.00 -1.25 -1.34 0.00 0.00 175.55 174.46 1dqt s PRO 99 N -0.35 2.67 0.75 4.97 0.04 -1.26 -0.65 135.00 141.16 1dqt s PRO 99 Ca 0.01 0.07 -0.13 0.00 0.04 0.00 0.00 61.00 60.98 1dqt s PRO 99 Cb -0.03 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1dqt s PRO 99 CO -0.03 -0.97 1.15 -2.14 0.04 0.00 0.00 177.00 175.05 1dqt s PRO 100 N -5.19 2.15 0.52 0.56 0.02 -1.26 -4.58 135.00 127.22 1dqt s PRO 100 Ca 0.57 1.51 -0.17 0.00 0.02 0.00 0.00 61.00 62.93 1dqt s PRO 100 Cb -0.11 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.48 1dqt s PRO 100 CO 0.47 -1.78 0.99 -1.25 -0.33 0.00 0.00 177.00 175.11 1dqt s PRO 101 N -4.28 3.89 0.51 5.54 0.04 -1.26 -5.15 135.00 134.30 1dqt s PRO 101 Ca 0.68 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.53 1dqt s PRO 101 Cb -0.23 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 1dqt s PRO 101 CO 0.48 -0.32 1.13 -0.47 0.04 0.00 0.00 177.00 177.87 1dqt s TYR 102 N -2.55 2.77 -0.05 0.56 5.04 -1.26 -4.97 117.35 116.90 1dqt s TYR 102 Ca 0.60 1.55 -0.29 0.00 -2.44 0.00 0.00 57.07 56.48 1dqt s TYR 102 Cb -0.11 -3.30 0.09 0.00 0.35 0.00 0.00 41.96 39.00 1dqt s TYR 102 CO 0.30 -1.48 0.81 -0.59 -1.34 0.00 0.00 175.55 173.25 1dqt s PHE 103 N -1.71 -0.49 0.03 4.97 -0.12 -1.24 -5.00 117.98 114.41 1dqt s PHE 103 Ca 0.69 0.71 0.05 0.00 -0.05 0.00 0.00 56.93 58.32 1dqt s PHE 103 Cb -0.25 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.59 1dqt s PHE 103 CO 0.29 -0.54 -0.14 0.08 -0.05 0.00 0.00 175.22 174.86 1dqt s VAL 104 N -1.81 1.09 0.09 -2.49 1.01 -1.26 -0.54 120.40 116.48 1dqt s VAL 104 Ca -0.04 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1dqt s VAL 104 Cb -0.00 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1dqt s VAL 104 CO 0.01 0.04 0.35 -0.83 0.00 0.00 0.00 175.10 174.67 1dqt s GLY 105 N -1.02 -0.18 0.00 4.51 0.00 -0.10 -5.00 107.32 105.52 1dqt s GLY 105 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1dqt s GLY 105 CO 0.01 -0.33 -0.00 -0.29 0.00 0.00 0.00 173.10 172.49 1dqt s MET 106 N -3.42 0.04 1.04 2.90 1.75 -1.26 -0.88 119.30 119.46 1dqt s MET 106 Ca 0.01 -0.04 -0.16 0.00 -1.25 0.00 0.00 55.69 54.24 1dqt s MET 106 Cb 0.02 -0.02 0.22 0.00 2.84 0.00 0.00 34.83 37.89 1dqt s MET 106 CO -0.09 0.00 1.20 0.20 -0.65 0.00 0.00 175.02 175.69 1dqt s GLY 107 N -0.08 1.66 0.00 2.11 0.00 -0.16 -4.54 107.32 106.31 1dqt s GLY 107 Ca -0.01 -0.96 0.29 0.00 0.00 0.00 0.00 44.72 44.04 1dqt s GLY 107 CO -0.00 -0.19 1.88 0.70 0.00 0.00 0.00 173.10 175.49 1dqt n ASN 108 N -4.13 0.69 0.00 1.64 5.03 -1.26 -4.68 115.26 112.54 1dqt n ASN 108 Ca 0.13 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.65 1dqt n ASN 108 Cb 0.59 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 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 1.20 1.44 3.33 7.41 0.00 -1.26 -4.97 105.19 112.35 1dqt n GLY 109 Ca 0.17 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.89 3.23 -0.36 2.61 2.01 -0.08 -4.58 115.64 116.58 1dqt s THR 110 Ca 0.00 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 1dqt s THR 110 Cb 0.00 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.11 1dqt s THR 110 CO 0.00 0.47 1.09 -1.10 -0.69 0.00 0.00 174.62 174.39 1dqt s GLN 111 N 1.01 3.98 -0.26 4.92 -0.21 0.67 -1.34 119.66 128.42 1dqt s GLN 111 Ca -0.00 0.95 -0.10 0.00 0.02 0.00 0.00 55.36 56.23 1dqt s GLN 111 Cb -0.15 -3.78 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1dqt s GLN 111 CO -0.01 -1.02 0.14 0.42 -2.12 0.00 0.00 175.29 172.70 1dqt s ILE 112 N 3.86 4.93 -0.27 1.08 1.01 0.26 -1.24 121.20 130.82 1dqt s ILE 112 Ca 0.46 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 1dqt s ILE 112 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1dqt s ILE 112 CO 0.19 0.30 0.11 -0.31 0.00 0.00 0.00 174.94 175.23 1dqt s TYR 113 N 1.62 3.13 -0.99 3.97 1.51 -0.40 -1.65 117.35 124.55 1dqt s TYR 113 Ca 0.07 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.59 1dqt s TYR 113 Cb -0.15 -2.29 0.22 0.00 -0.11 0.00 0.00 41.96 39.63 1dqt s TYR 113 CO 0.08 -0.36 1.01 0.08 -1.11 0.00 0.00 175.55 175.25 1dqt s VAL 114 N 1.63 5.57 -0.06 0.71 1.01 -1.26 -1.09 120.40 126.91 1dqt s VAL 114 Ca 0.06 -2.70 -0.30 0.00 0.00 0.00 0.00 61.98 59.04 1dqt s VAL 114 Cb -0.16 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 1dqt s VAL 114 CO 0.05 -1.22 1.12 -0.63 0.00 0.00 0.00 175.10 174.43 1dqt s ILE 115 N 0.17 4.45 0.00 2.22 1.01 -1.26 -4.61 121.20 123.19 1dqt s ILE 115 Ca 0.27 1.75 0.00 0.00 0.00 0.00 0.00 60.65 62.68 1dqt s ILE 115 Cb -0.08 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1dqt s ILE 115 CO -0.08 0.01 0.00 0.47 0.00 0.00 0.00 174.94 175.35 1dqt n ASP 116 N 5.02 0.00 0.00 3.58 8.00 -1.26 -4.85 116.55 127.04 1dqt n ASP 116 Ca 0.10 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.65 1dqt n ASP 116 Cb 0.47 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.85 1dqt n ASP 116 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00