#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujt s SER 2 N 0.00 0.99 -0.20 1.61 1.04 -1.26 -5.13 113.70 110.74 1ujt s SER 2 Ca 0.00 0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.43 1ujt s SER 2 Cb 0.00 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 1ujt s SER 2 CO 0.00 -0.30 -0.02 -0.94 0.98 0.00 0.00 173.24 172.97 1ujt s SER 3 N 2.36 4.65 0.00 7.02 1.04 -1.26 -5.01 113.70 122.51 1ujt s SER 3 Ca 0.06 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1ujt s SER 3 Cb -0.15 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.18 1ujt s SER 3 CO -0.11 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1ujt n GLY 4 N 4.40 -0.59 3.86 7.32 0.00 -1.26 -5.13 105.19 113.79 1ujt n GLY 4 Ca -0.17 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1ujt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujt s SER 5 N -4.00 6.63 -0.32 1.61 0.01 -1.26 -5.04 113.70 111.32 1ujt s SER 5 Ca 0.00 0.75 -0.29 0.00 1.31 0.00 0.00 55.95 57.72 1ujt s SER 5 Cb 0.00 -2.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.06 1ujt s SER 5 CO 0.00 0.25 1.39 -0.44 0.41 0.00 0.00 173.24 174.86 1ujt s SER 6 N -1.50 6.51 0.00 2.44 0.01 -1.26 -4.59 113.70 115.31 1ujt s SER 6 Ca 0.28 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.69 1ujt s SER 6 Cb -0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1ujt s SER 6 CO 0.15 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.18 1ujt n GLY 7 N 4.63 0.00 0.13 3.44 0.00 -1.26 -5.01 105.19 107.12 1ujt n GLY 7 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1ujt n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ujt n ARG 8 N 0.00 0.62 -0.07 1.61 0.63 -1.26 -4.31 116.66 113.89 1ujt n ARG 8 Ca 0.00 0.25 0.01 0.00 -0.92 0.00 0.00 57.85 57.18 1ujt n ARG 8 Cb 0.00 -1.53 0.03 0.00 0.45 0.00 0.00 32.46 31.41 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ujt n GLN 9 N -3.87 1.29 -0.11 -0.14 7.27 -1.26 -3.98 117.38 116.58 1ujt n GLN 9 Ca -0.49 -0.27 -0.11 0.00 0.07 0.00 0.00 57.00 56.20 1ujt n GLN 9 Cb 0.92 -1.39 -0.03 0.00 2.41 0.00 0.00 30.24 32.15 1ujt n GLN 9 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 1ujt h VAL 10 N 0.38 1.25 0.00 1.69 3.04 -1.99 -0.53 116.25 120.09 1ujt h VAL 10 Ca 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 66.70 64.80 1ujt h VAL 10 Cb 0.45 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1ujt h VAL 10 CO 0.03 0.29 0.00 0.00 -1.01 0.00 0.00 177.57 176.88 1ujt n GLN 11 N -4.56 0.53 -0.12 4.17 6.02 -1.26 -1.50 117.38 120.66 1ujt n GLN 11 Ca -0.02 0.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.80 1ujt n GLN 11 Cb 0.24 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.93 1ujt n GLN 11 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1ujt n LYS 12 N -1.15 0.56 -0.03 -1.09 3.00 -0.87 -4.53 118.16 114.04 1ujt n LYS 12 Ca 0.14 0.29 -0.14 0.00 -0.00 0.00 0.00 58.31 58.60 1ujt n LYS 12 Cb 0.14 -1.50 -0.10 0.00 0.00 0.00 0.00 35.03 33.56 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ujt h GLU 13 N -1.00 0.07 -0.58 1.64 4.57 -1.16 -2.42 114.58 115.70 1ujt h GLU 13 Ca -0.39 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 57.82 1ujt h GLU 13 Cb 1.31 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 29.82 1ujt h GLU 13 CO -0.24 0.69 -0.25 -0.11 -1.18 0.00 0.00 179.01 177.93 1ujt n LEU 14 N -4.72 -0.42 0.14 1.64 7.94 -0.56 0.62 117.00 121.63 1ujt n LEU 14 Ca -0.09 1.01 -0.23 0.00 -1.11 0.00 0.00 56.01 55.60 1ujt n LEU 14 Cb 0.35 -0.21 -0.15 0.00 0.53 0.00 0.00 43.42 43.93 1ujt n LEU 14 CO 0.35 -0.89 -0.19 1.23 -1.11 0.00 0.00 177.39 176.78 1ujt h GLY 15 N 0.00 0.58 0.04 -3.96 0.00 -1.80 -3.36 103.07 94.57 1ujt h GLY 15 Ca 0.18 -1.44 0.01 0.00 0.00 0.00 0.00 47.33 46.08 1ujt h GLY 15 CO -0.57 1.27 -0.39 -1.80 0.00 0.00 0.00 176.54 175.05 1ujt h ASP 16 N 0.15 -1.18 -1.85 0.19 1.82 0.71 -3.42 116.42 112.84 1ujt h ASP 16 Ca -0.23 0.13 -0.66 0.00 -0.39 0.00 0.00 57.03 55.88 1ujt h ASP 16 Cb 2.12 0.44 0.07 0.00 0.68 0.00 0.00 39.33 42.64 1ujt h ASP 16 CO 0.26 -0.39 0.30 0.55 -1.61 0.00 0.00 179.24 178.35 1ujt n VAL 17 N -4.63 0.66 -3.96 2.25 3.14 0.32 -4.96 118.33 111.16 1ujt n VAL 17 Ca -0.06 -0.17 -0.34 0.00 -2.96 0.00 0.00 64.34 60.81 1ujt n VAL 17 Cb 0.29 -0.81 -0.15 0.00 -1.06 0.00 0.00 33.84 32.11 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1ujt s LEU 18 N 0.63 2.69 0.01 6.55 1.98 -1.26 -4.78 118.68 124.50 1ujt s LEU 18 Ca 0.76 -0.47 -0.24 0.00 -2.89 0.00 0.00 54.13 51.29 1ujt s LEU 18 Cb -0.89 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 44.25 1ujt s LEU 18 CO 0.51 -0.02 0.74 -0.69 -1.89 0.00 0.00 176.35 175.00 1ujt s VAL 19 N 1.43 4.84 -0.34 1.68 1.01 -1.26 -2.95 120.40 124.80 1ujt s VAL 19 Ca 0.06 1.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 1ujt s VAL 19 Cb -0.14 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.23 1ujt s VAL 19 CO -0.06 0.33 0.09 -0.60 0.00 0.00 0.00 175.10 174.86 1ujt s ARG 20 N 0.18 2.32 -0.58 2.72 6.06 0.61 -4.52 118.95 125.74 1ujt s ARG 20 Ca 0.38 -1.44 -0.20 0.00 -2.50 0.00 0.00 55.73 51.97 1ujt s ARG 20 Cb -0.20 -3.37 0.08 0.00 0.06 0.00 0.00 34.95 31.52 1ujt s ARG 20 CO 0.21 -0.78 0.76 -1.17 -2.50 0.00 0.00 175.30 171.82 1ujt s LEU 21 N 1.24 4.96 0.00 -0.88 2.96 -1.26 -1.78 118.68 123.93 1ujt s LEU 21 Ca 0.00 -1.13 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1ujt s LEU 21 Cb -0.21 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.08 1ujt s LEU 21 CO -0.01 -1.15 0.75 1.41 -1.32 0.00 0.00 176.35 176.03 1ujt n HIS 22 N 6.70 0.00 -3.64 5.38 8.25 -1.25 -4.82 115.22 125.83 1ujt n HIS 22 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.36 1ujt n HIS 22 Cb 0.44 -0.25 -0.07 0.00 1.12 0.00 0.00 29.99 31.23 1ujt n HIS 22 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1ujt s ASN 23 N -2.13 -0.28 -1.18 0.41 3.84 -1.26 -5.06 114.94 109.29 1ujt s ASN 23 Ca 0.00 0.49 -0.23 0.00 0.21 0.00 0.00 52.86 53.33 1ujt s ASN 23 Cb 0.00 0.78 -0.09 0.00 -0.55 0.00 0.00 41.25 41.40 1ujt s ASN 23 CO 0.00 -0.08 1.93 -2.16 -2.79 0.00 0.00 177.10 174.00 1ujt s PRO 24 N 0.62 2.50 -0.54 0.43 0.04 -1.26 -4.50 135.00 132.29 1ujt s PRO 24 Ca -0.01 -1.15 -0.34 0.00 0.04 0.00 0.00 61.00 59.53 1ujt s PRO 24 Cb -0.04 -5.24 -0.14 0.00 0.04 0.00 0.00 34.50 29.12 1ujt s PRO 24 CO -0.12 -3.97 2.33 0.28 0.04 0.00 0.00 177.00 175.56 1ujt n VAL 25 N 7.80 0.07 -2.44 -0.36 0.31 -0.81 -4.76 118.33 118.15 1ujt n VAL 25 Ca 0.45 -0.24 -0.42 0.00 -0.01 0.00 0.00 64.34 64.12 1ujt n VAL 25 Cb 0.47 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 1ujt n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ujt s VAL 26 N 8.19 3.83 -0.10 2.52 0.11 -1.26 -1.69 120.40 132.01 1ujt s VAL 26 Ca 1.15 0.71 -0.03 0.00 -2.93 0.00 0.00 61.98 60.89 1ujt s VAL 26 Cb -0.95 -4.52 -0.01 0.00 -1.53 0.00 0.00 36.38 29.37 1ujt s VAL 26 CO 0.49 -1.23 -0.05 -0.07 -3.33 0.00 0.00 175.10 170.90 1ujt h LEU 27 N 12.84 0.00 -8.89 2.54 3.38 -1.89 -3.49 115.31 119.81 1ujt h LEU 27 Ca -0.26 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.24 1ujt h LEU 27 Cb 1.08 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 1ujt h LEU 27 CO 1.18 0.51 -0.74 0.42 0.09 0.00 0.00 178.44 179.91 1ujt s THR 28 N -1.69 1.76 -2.00 0.22 -4.23 -0.07 -4.90 115.64 104.74 1ujt s THR 28 Ca -0.04 -2.18 0.12 0.00 -1.18 0.00 0.00 61.69 58.40 1ujt s THR 28 Cb 0.01 -2.02 0.33 0.00 1.34 0.00 0.00 72.50 72.16 1ujt s THR 28 CO 0.06 -0.56 1.13 -0.81 -0.54 0.00 0.00 174.62 173.91 1ujt n PRO 29 N -0.31 0.49 0.00 3.99 -0.04 -1.26 -2.44 135.00 135.43 1ujt n PRO 29 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ujt n PRO 29 Cb 0.60 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1ujt n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 30 N -0.88 0.00 -3.74 0.52 -2.24 -1.26 -3.22 114.28 103.46 1ujt n THR 30 Ca 0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 1ujt n THR 30 Cb 0.04 0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.37 1ujt n THR 30 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ujt s THR 31 N -1.47 -0.09 0.03 4.28 2.01 -1.02 -0.98 115.64 118.41 1ujt s THR 31 Ca 0.00 0.24 0.08 0.00 0.31 0.00 0.00 61.69 62.33 1ujt s THR 31 Cb 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 1ujt s THR 31 CO 0.00 0.10 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.09 1ujt s VAL 32 N 1.39 1.98 -0.03 3.82 1.01 -0.81 -0.89 120.40 126.87 1ujt s VAL 32 Ca -0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 1ujt s VAL 32 Cb -0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1ujt s VAL 32 CO -0.05 0.36 0.34 -1.58 0.00 0.00 0.00 175.10 174.18 1ujt s GLN 33 N -1.09 3.80 -0.06 2.72 0.74 -0.68 -1.32 119.66 123.77 1ujt s GLN 33 Ca 0.10 0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.83 1ujt s GLN 33 Cb -0.10 -3.22 -0.00 0.00 1.10 0.00 0.00 33.01 30.80 1ujt s GLN 33 CO 0.01 0.71 -0.20 0.08 -0.55 0.00 0.00 175.29 175.34 1ujt s VAL 34 N -1.04 1.67 0.04 1.34 1.01 0.59 -1.93 120.40 122.08 1ujt s VAL 34 Ca 0.21 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1ujt s VAL 34 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 1ujt s VAL 34 CO 0.11 0.47 -0.09 -0.89 0.00 0.00 0.00 175.10 174.70 1ujt s THR 35 N 0.09 0.63 0.20 3.92 2.01 -1.26 -1.63 115.64 119.60 1ujt s THR 35 Ca -0.07 -1.07 -0.23 0.00 0.31 0.00 0.00 61.69 60.64 1ujt s THR 35 Cb -0.14 -0.67 0.05 0.00 0.01 0.00 0.00 72.50 71.75 1ujt s THR 35 CO 0.04 -0.32 0.71 -1.66 -0.69 0.00 0.00 174.62 172.70 1ujt s TRP 36 N -1.29 -0.32 0.01 4.92 -2.14 -0.18 -3.76 118.94 116.19 1ujt s TRP 36 Ca -0.08 -0.01 0.02 0.00 2.66 0.00 0.00 56.10 58.69 1ujt s TRP 36 Cb -0.10 0.64 -0.01 0.00 -3.10 0.00 0.00 33.47 30.90 1ujt s TRP 36 CO 0.01 -1.01 -0.05 -0.08 -2.66 0.00 0.00 176.95 173.16 1ujt s THR 37 N -3.74 0.39 -0.06 0.66 -1.32 -0.73 -4.73 115.64 106.11 1ujt s THR 37 Ca 0.07 -0.51 0.03 0.00 -1.21 0.00 0.00 61.69 60.07 1ujt s THR 37 Cb -0.03 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.54 1ujt s THR 37 CO -0.02 -0.09 -0.14 0.68 -2.21 0.00 0.00 174.62 172.84 1ujt s VAL 38 N -0.59 3.05 0.16 5.08 -7.23 -1.26 -0.29 120.40 119.33 1ujt s VAL 38 Ca -0.03 -0.72 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 1ujt s VAL 38 Cb -0.05 -2.20 0.05 0.00 0.56 0.00 0.00 36.38 34.74 1ujt s VAL 38 CO -0.00 0.58 1.79 -2.24 -0.31 0.00 0.00 175.10 174.92 1ujt h ASP 39 N 5.55 0.62 -3.25 4.85 2.03 -1.92 -3.40 116.42 120.90 1ujt h ASP 39 Ca -0.43 -0.07 -0.54 0.00 -0.73 0.00 0.00 57.03 55.26 1ujt h ASP 39 Cb 1.16 -0.16 -0.40 0.00 -0.83 0.00 0.00 39.33 39.11 1ujt h ASP 39 CO 0.51 0.50 -0.76 -0.13 -1.03 0.00 0.00 179.24 178.33 1ujt s ARG 40 N -5.94 0.72 -0.27 4.15 0.52 -1.26 -5.04 118.95 111.82 1ujt s ARG 40 Ca -0.13 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1ujt s ARG 40 Cb 0.12 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 1ujt s ARG 40 CO 0.75 -0.74 1.85 -1.14 0.02 0.00 0.00 175.30 176.04 1ujt s GLN 41 N 1.78 3.44 0.38 3.54 0.74 -1.26 -4.78 119.66 123.49 1ujt s GLN 41 Ca 0.02 1.65 -0.26 0.00 0.05 0.00 0.00 55.36 56.81 1ujt s GLN 41 Cb -0.17 -4.19 -0.09 0.00 1.10 0.00 0.00 33.01 29.66 1ujt s GLN 41 CO -0.13 -1.74 1.20 -1.25 -0.55 0.00 0.00 175.29 172.81 1ujt s PRO 42 N 5.52 4.12 -0.18 1.67 0.04 -1.26 -4.99 135.00 139.93 1ujt s PRO 42 Ca 0.82 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 63.56 1ujt s PRO 42 Cb -0.26 -2.77 -0.19 0.00 0.04 0.00 0.00 34.50 31.32 1ujt s PRO 42 CO 0.33 -0.28 0.34 1.96 0.04 0.00 0.00 177.00 179.40 1ujt h GLN 43 N 2.82 0.00 -0.89 4.56 1.08 -2.01 -3.36 115.11 117.30 1ujt h GLN 43 Ca -0.49 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 56.85 1ujt h GLN 43 Cb 1.23 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.57 1ujt h GLN 43 CO 0.63 0.89 0.50 0.27 -0.95 0.00 0.00 178.83 180.17 1ujt h PHE 44 N -1.00 0.88 -0.59 2.96 -0.00 -1.95 -3.44 116.94 113.81 1ujt h PHE 44 Ca -0.21 0.03 -0.35 0.00 -0.00 0.00 0.00 57.97 57.45 1ujt h PHE 44 Cb 1.10 -0.26 0.06 0.00 -0.00 0.00 0.00 35.95 36.86 1ujt h PHE 44 CO 0.13 0.26 -0.32 1.51 -0.00 0.00 0.00 178.31 179.89 1ujt n ILE 45 N -4.80 0.95 -0.10 0.88 3.06 -1.26 -4.89 119.36 113.20 1ujt n ILE 45 Ca 0.18 -0.27 -0.12 0.00 -2.50 0.00 0.00 62.75 60.04 1ujt n ILE 45 Cb 0.42 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.46 1ujt n ILE 45 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ujt n GLN 46 N 0.56 0.77 0.00 9.51 1.13 -1.17 -4.91 117.38 123.27 1ujt n GLN 46 Ca 0.09 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1ujt n GLN 46 Cb 0.14 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.00 1ujt n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ujt n GLY 47 N 2.00 2.07 2.78 1.08 0.00 -1.21 -3.83 105.19 108.08 1ujt n GLY 47 Ca -0.36 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1ujt n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ujt s TYR 48 N -1.34 -0.22 -0.27 1.61 2.02 -1.26 -3.90 117.35 114.00 1ujt s TYR 48 Ca 0.00 0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.82 1ujt s TYR 48 Cb 0.00 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 1ujt s TYR 48 CO 0.00 -0.48 0.71 0.50 -1.57 0.00 0.00 175.55 174.71 1ujt s ARG 49 N 2.31 4.07 -0.73 -0.62 3.52 -1.11 -2.77 118.95 123.63 1ujt s ARG 49 Ca 0.05 0.62 -0.07 0.00 -0.13 0.00 0.00 55.73 56.19 1ujt s ARG 49 Cb -0.14 -3.67 0.19 0.00 -1.56 0.00 0.00 34.95 29.76 1ujt s ARG 49 CO -0.10 -0.51 0.59 0.08 -0.81 0.00 0.00 175.30 174.56 1ujt s VAL 50 N 2.68 4.54 0.13 7.11 1.01 -1.11 -2.65 120.40 132.12 1ujt s VAL 50 Ca 0.29 -2.81 -0.30 0.00 0.00 0.00 0.00 61.98 59.16 1ujt s VAL 50 Cb -0.15 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1ujt s VAL 50 CO 0.09 -0.95 1.23 -0.04 0.00 0.00 0.00 175.10 175.43 1ujt s MET 51 N -0.05 4.44 -0.02 2.72 -1.94 -1.19 -2.34 119.30 120.93 1ujt s MET 51 Ca 0.18 1.88 -0.07 0.00 -1.71 0.00 0.00 55.69 55.97 1ujt s MET 51 Cb -0.16 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.42 1ujt s MET 51 CO -0.06 -0.21 0.16 1.52 -0.01 0.00 0.00 175.02 176.42 1ujt s TYR 52 N 0.50 -0.03 0.08 -0.03 1.13 -1.16 -2.38 117.35 115.46 1ujt s TYR 52 Ca 0.57 0.05 -0.26 0.00 -1.41 0.00 0.00 57.07 56.02 1ujt s TYR 52 Cb -0.32 -0.01 0.08 0.00 -1.10 0.00 0.00 41.96 40.61 1ujt s TYR 52 CO 0.33 -0.24 0.72 -0.98 -2.51 0.00 0.00 175.55 172.87 1ujt s ARG 53 N -0.98 1.08 0.64 -3.49 1.70 -1.08 -2.14 118.95 114.68 1ujt s ARG 53 Ca -0.11 -0.37 -0.15 0.00 -0.47 0.00 0.00 55.73 54.63 1ujt s ARG 53 Cb -0.06 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1ujt s ARG 53 CO 0.01 -0.47 1.09 -1.14 -1.08 0.00 0.00 175.30 173.71 1ujt s GLN 54 N -3.38 2.99 0.00 3.89 0.74 -1.25 -1.90 119.66 120.75 1ujt s GLN 54 Ca 0.02 1.28 0.00 0.00 0.05 0.00 0.00 55.36 56.71 1ujt s GLN 54 Cb -0.01 -1.98 0.00 0.00 1.10 0.00 0.00 33.01 32.12 1ujt s GLN 54 CO -0.10 -1.09 0.00 0.25 -0.55 0.00 0.00 175.29 173.80 1ujt n THR 55 N -2.35 0.00 -0.09 -0.34 -2.24 -1.16 -2.34 114.28 105.76 1ujt n THR 55 Ca 0.09 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.76 1ujt n THR 55 Cb 0.52 -0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 68.23 1ujt n THR 55 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ujt n SER 56 N -2.01 2.41 -3.06 3.42 7.64 -1.26 -4.76 113.62 116.01 1ujt n SER 56 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1ujt n SER 56 Cb 0.34 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1ujt n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujt n GLY 57 N 2.55 -2.50 0.14 0.23 0.00 -1.26 -4.86 105.19 99.49 1ujt n GLY 57 Ca -0.30 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1ujt n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ujt h LEU 58 N 0.00 0.71 -2.24 0.99 7.12 -1.98 -3.26 115.31 116.64 1ujt h LEU 58 Ca 0.00 -0.90 -0.00 0.00 0.13 0.00 0.00 57.88 57.11 1ujt h LEU 58 Cb 0.00 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 39.90 1ujt h LEU 58 CO 0.00 1.55 0.00 0.00 -0.13 0.00 0.00 178.44 179.86 1ujt n GLN 59 N -3.91 1.00 -2.89 1.25 6.02 -1.26 -4.83 117.38 112.75 1ujt n GLN 59 Ca -0.15 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.46 1ujt n GLN 59 Cb 0.95 -1.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.14 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujt s ALA 60 N -0.01 3.30 -0.04 -1.58 0.00 -1.23 -3.74 121.76 118.45 1ujt s ALA 60 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1ujt s ALA 60 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1ujt s ALA 60 CO 0.00 0.23 0.00 -2.37 0.00 0.00 0.00 175.76 173.62 1ujt n THR 61 N 0.74 -0.01 -0.09 0.00 5.66 -0.99 -4.69 114.28 114.91 1ujt n THR 61 Ca -0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1ujt n THR 61 Cb 0.50 -0.05 -0.12 0.00 -1.55 0.00 0.00 70.33 69.12 1ujt n THR 61 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ujt n SER 62 N -0.27 1.96 -3.62 1.09 2.88 -1.25 -4.97 113.62 109.43 1ujt n SER 62 Ca -0.00 0.30 -0.01 0.00 -1.33 0.00 0.00 58.87 57.83 1ujt n SER 62 Cb 0.26 -0.86 -0.04 0.00 -0.75 0.00 0.00 64.21 62.82 1ujt n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujt s SER 63 N -7.00 -1.08 0.50 -3.46 0.01 -1.26 -5.16 113.70 96.25 1ujt s SER 63 Ca -0.30 1.49 -0.20 0.00 1.31 0.00 0.00 55.95 58.25 1ujt s SER 63 Cb 0.08 2.23 -0.07 0.00 0.21 0.00 0.00 66.02 68.47 1ujt s SER 63 CO 0.62 -0.21 1.08 0.26 0.41 0.00 0.00 173.24 175.40 1ujt s TRP 64 N 2.84 2.87 0.45 2.43 0.52 -1.26 -4.84 118.94 121.95 1ujt s TRP 64 Ca -0.06 1.56 0.05 0.00 0.02 0.00 0.00 56.10 57.68 1ujt s TRP 64 Cb -0.11 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 28.99 1ujt s TRP 64 CO -0.19 -1.15 0.09 -0.65 0.02 0.00 0.00 176.95 175.07 1ujt s GLN 65 N -3.19 2.13 -0.09 4.98 -1.52 -0.91 -5.00 119.66 116.06 1ujt s GLN 65 Ca 0.69 -2.12 -0.04 0.00 -1.95 0.00 0.00 55.36 51.94 1ujt s GLN 65 Cb -0.20 -1.74 0.05 0.00 -0.22 0.00 0.00 33.01 30.90 1ujt s GLN 65 CO 0.24 -0.22 0.19 -0.80 -0.25 0.00 0.00 175.29 174.45 1ujt s ASN 66 N -3.87 0.03 -0.54 5.90 -0.87 -1.26 -2.99 114.94 111.34 1ujt s ASN 66 Ca 0.27 0.41 -0.05 0.00 -1.57 0.00 0.00 52.86 51.93 1ujt s ASN 66 Cb 0.05 0.33 0.14 0.00 -0.02 0.00 0.00 41.25 41.75 1ujt s ASN 66 CO 0.15 -0.18 0.37 -0.22 -2.57 0.00 0.00 177.10 174.65 1ujt s LEU 67 N 1.52 5.46 -0.09 0.60 2.96 -0.99 -4.95 118.68 123.20 1ujt s LEU 67 Ca -0.06 -2.37 -0.29 0.00 -0.22 0.00 0.00 54.13 51.18 1ujt s LEU 67 Cb -0.11 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1ujt s LEU 67 CO -0.07 -0.51 1.64 1.51 -1.32 0.00 0.00 176.35 177.60 1ujt s ASP 68 N 1.61 6.61 0.38 3.68 1.47 -1.26 -2.74 116.67 126.42 1ujt s ASP 68 Ca 0.12 2.11 0.21 0.00 1.18 0.00 0.00 52.55 56.16 1ujt s ASP 68 Cb -0.22 -2.53 0.60 0.00 -0.34 0.00 0.00 42.92 40.43 1ujt s ASP 68 CO -0.03 -0.99 1.69 0.00 0.68 0.00 0.00 175.17 176.51 1ujt h ALA 69 N 9.79 0.91 -4.34 2.11 0.00 -1.92 -3.47 119.26 122.34 1ujt h ALA 69 Ca -0.38 -0.28 -0.31 0.00 0.00 0.00 0.00 54.91 53.94 1ujt h ALA 69 Cb 1.17 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ujt h ALA 69 CO 0.96 0.39 -0.42 1.63 0.00 0.00 0.00 179.25 181.81 1ujt n LYS 70 N -3.34 -2.83 -3.15 0.00 5.02 -1.26 -4.89 118.16 107.70 1ujt n LYS 70 Ca 0.01 0.61 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 1ujt n LYS 70 Cb 0.54 -5.27 -0.02 0.00 -0.02 0.00 0.00 35.03 30.26 1ujt n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ujt s VAL 71 N -2.78 -0.44 0.15 -0.18 0.11 -1.26 -5.03 120.40 110.97 1ujt s VAL 71 Ca 0.15 0.00 0.32 0.00 -2.93 0.00 0.00 61.98 59.52 1ujt s VAL 71 Cb -0.07 -1.00 0.36 0.00 -1.53 0.00 0.00 36.38 34.14 1ujt s VAL 71 CO 0.18 0.00 1.98 1.55 -3.33 0.00 0.00 175.10 175.48 1ujt h PRO 72 N 8.00 0.00 -0.98 1.54 0.13 -1.86 -2.98 132.00 135.85 1ujt h PRO 72 Ca -0.15 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.88 1ujt h PRO 72 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1ujt h PRO 72 CO -0.04 0.05 0.12 0.25 -0.23 0.00 0.00 178.00 178.15 1ujt n THR 73 N -3.18 1.33 -3.74 1.56 -2.24 -1.26 -4.72 114.28 102.04 1ujt n THR 73 Ca 0.00 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 1ujt n THR 73 Cb 0.32 -0.80 -0.17 0.00 -2.10 0.00 0.00 70.33 67.57 1ujt n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ujt s GLU 74 N -0.88 0.45 -0.37 -0.78 2.02 -1.12 -5.01 118.70 113.00 1ujt s GLU 74 Ca 0.13 0.09 0.06 0.00 0.02 0.00 0.00 54.97 55.27 1ujt s GLU 74 Cb 0.11 -1.05 0.50 0.00 0.10 0.00 0.00 34.13 33.79 1ujt s GLU 74 CO 0.03 -0.36 1.55 0.54 0.02 0.00 0.00 175.26 177.03 1ujt n ARG 75 N 5.17 2.42 -3.18 1.61 1.74 -1.26 -4.89 116.66 118.28 1ujt n ARG 75 Ca -0.06 -3.42 0.04 0.00 -0.77 0.00 0.00 57.85 53.64 1ujt n ARG 75 Cb 0.50 -2.04 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ujt s SER 76 N -2.56 -0.98 0.21 0.55 1.04 -1.26 -1.01 113.70 109.69 1ujt s SER 76 Ca 0.51 0.67 0.08 0.00 0.48 0.00 0.00 55.95 57.69 1ujt s SER 76 Cb 0.43 1.85 -0.04 0.00 0.10 0.00 0.00 66.02 68.36 1ujt s SER 76 CO 0.01 -0.18 -0.01 0.00 0.98 0.00 0.00 173.24 174.04 1ujt s ALA 77 N 2.88 3.15 -0.15 5.32 0.00 -0.64 -4.88 121.76 127.43 1ujt s ALA 77 Ca 0.11 -1.49 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1ujt s ALA 77 Cb -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1ujt s ALA 77 CO -0.17 0.39 -0.18 0.08 0.00 0.00 0.00 175.76 175.89 1ujt s VAL 78 N -1.96 2.44 -0.20 0.00 1.01 -1.26 -0.30 120.40 120.13 1ujt s VAL 78 Ca 0.29 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1ujt s VAL 78 Cb -0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 1ujt s VAL 78 CO 0.19 0.53 0.66 -0.76 0.00 0.00 0.00 175.10 175.71 1ujt s LEU 79 N 0.86 4.14 0.38 3.92 1.43 -0.44 -4.94 118.68 124.03 1ujt s LEU 79 Ca -0.05 0.87 0.08 0.00 -1.03 0.00 0.00 54.13 54.00 1ujt s LEU 79 Cb -0.15 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 1ujt s LEU 79 CO -0.02 -0.31 0.26 0.68 0.23 0.00 0.00 176.35 177.19 1ujt s VAL 80 N 2.03 2.90 -1.12 -1.59 -7.23 -1.26 -1.92 120.40 112.20 1ujt s VAL 80 Ca 0.30 -1.51 -0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1ujt s VAL 80 Cb -0.16 -3.03 -0.00 0.00 0.56 0.00 0.00 36.38 33.75 1ujt s VAL 80 CO 0.10 -0.09 0.93 0.59 -0.31 0.00 0.00 175.10 176.33 1ujt n ASN 81 N -1.34 -2.15 -4.87 4.85 5.03 -1.03 -4.97 115.26 110.78 1ujt n ASN 81 Ca -0.00 -0.58 -0.22 0.00 0.87 0.00 0.00 54.58 54.65 1ujt n ASN 81 Cb 0.62 -4.83 -0.04 0.00 -1.02 0.00 0.00 39.78 34.51 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ujt s LEU 82 N -6.06 3.97 0.66 3.41 1.43 -0.15 -5.06 118.68 116.88 1ujt s LEU 82 Ca 0.01 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1ujt s LEU 82 Cb -0.00 -2.51 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 1ujt s LEU 82 CO 0.68 -0.04 1.06 -0.54 0.23 0.00 0.00 176.35 177.74 1ujt s LYS 83 N -3.84 3.27 -0.19 1.70 1.02 -1.26 -4.32 119.74 116.12 1ujt s LYS 83 Ca 0.33 0.67 -0.07 0.00 0.02 0.00 0.00 55.97 56.93 1ujt s LYS 83 Cb -0.08 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1ujt s LYS 83 CO 0.26 -0.79 0.05 0.15 -0.92 0.00 0.00 175.35 174.10 1ujt s LYS 84 N -5.22 3.86 -0.01 1.68 3.01 -1.20 -4.51 119.74 117.35 1ujt s LYS 84 Ca 0.56 -0.40 -0.00 0.00 -1.01 0.00 0.00 55.97 55.12 1ujt s LYS 84 Cb -0.11 -3.20 -0.00 0.00 -1.01 0.00 0.00 37.83 33.50 1ujt s LYS 84 CO 0.53 0.16 0.01 0.41 0.51 0.00 0.00 175.35 176.97 1ujt n GLY 85 N 3.87 0.73 3.61 -3.33 0.00 0.01 -4.92 105.19 105.16 1ujt n GLY 85 Ca -0.16 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 1ujt n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujt s VAL 86 N -3.00 0.00 0.43 1.61 0.11 -1.13 -4.93 120.40 113.49 1ujt s VAL 86 Ca 0.00 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 1ujt s VAL 86 Cb -0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1ujt s VAL 86 CO 0.01 0.00 0.94 -0.89 -3.33 0.00 0.00 175.10 171.82 1ujt s THR 87 N -0.16 4.42 -0.03 5.04 2.01 -1.26 -1.97 115.64 123.70 1ujt s THR 87 Ca 0.00 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1ujt s THR 87 Cb -0.04 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1ujt s THR 87 CO -0.02 -0.33 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.27 1ujt s TYR 88 N -2.19 0.35 -0.28 4.92 2.02 0.07 -2.97 117.35 119.27 1ujt s TYR 88 Ca 0.61 -0.02 -0.13 0.00 -0.37 0.00 0.00 57.07 57.16 1ujt s TYR 88 Cb -0.09 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 1ujt s TYR 88 CO 0.14 -0.14 0.31 -2.00 -1.57 0.00 0.00 175.55 172.29 1ujt s GLU 89 N 1.06 3.98 0.06 -0.62 2.12 -0.80 -0.37 118.70 124.13 1ujt s GLU 89 Ca -0.09 -0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.18 1ujt s GLU 89 Cb -0.14 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1ujt s GLU 89 CO -0.02 -0.25 -0.14 0.42 -0.54 0.00 0.00 175.26 174.73 1ujt s ILE 90 N 1.95 1.14 -0.13 -3.70 1.09 -0.93 -2.62 121.20 118.00 1ujt s ILE 90 Ca 0.12 -1.17 -0.10 0.00 -1.10 0.00 0.00 60.65 58.40 1ujt s ILE 90 Cb -0.16 -1.06 0.04 0.00 -1.06 0.00 0.00 42.46 40.22 1ujt s ILE 90 CO 0.10 -0.11 0.33 -1.59 -0.10 0.00 0.00 174.94 173.57 1ujt s LYS 91 N -1.47 0.35 0.27 2.79 0.00 -1.00 -2.29 119.74 118.39 1ujt s LYS 91 Ca -0.00 0.53 -0.19 0.00 0.00 0.00 0.00 55.97 56.30 1ujt s LYS 91 Cb -0.09 0.10 -0.09 0.00 0.00 0.00 0.00 37.83 37.75 1ujt s LYS 91 CO 0.02 -0.09 0.77 0.08 0.00 0.00 0.00 175.35 176.13 1ujt s VAL 92 N 0.57 4.54 -0.23 1.79 1.01 -1.26 -3.17 120.40 123.65 1ujt s VAL 92 Ca -0.03 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.19 1ujt s VAL 92 Cb -0.05 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1ujt s VAL 92 CO -0.03 0.07 0.39 0.00 0.00 0.00 0.00 175.10 175.53 1ujt s ARG 93 N -2.30 0.34 -0.47 2.72 1.70 -1.08 -1.49 118.95 118.36 1ujt s ARG 93 Ca 0.48 0.70 -0.28 0.00 -0.47 0.00 0.00 55.73 56.16 1ujt s ARG 93 Cb -0.15 -0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1ujt s ARG 93 CO 0.20 -0.52 1.78 -1.25 -1.08 0.00 0.00 175.30 174.43 1ujt s PRO 94 N 2.57 3.03 0.06 3.89 0.04 -1.26 -2.74 135.00 140.59 1ujt s PRO 94 Ca 0.09 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1ujt s PRO 94 Cb -0.14 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1ujt s PRO 94 CO -0.15 -2.24 -0.02 1.52 0.04 0.00 0.00 177.00 176.15 1ujt s TYR 95 N 7.75 2.96 -0.04 0.56 -0.85 -1.25 0.28 117.35 126.76 1ujt s TYR 95 Ca 0.71 -0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 57.20 1ujt s TYR 95 Cb -0.17 -1.56 -0.01 0.00 0.38 0.00 0.00 41.96 40.60 1ujt s TYR 95 CO 0.27 0.45 -0.08 0.34 -1.52 0.00 0.00 175.55 175.02 1ujt n PHE 96 N 0.89 0.00 0.00 -3.49 7.35 -1.23 -3.05 117.46 117.93 1ujt n PHE 96 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1ujt n PHE 96 Cb 0.52 -0.11 0.00 0.00 0.35 0.00 0.00 39.48 40.24 1ujt n PHE 96 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ujt n ASN 97 N -2.99 0.00 -0.03 -2.13 2.85 -1.26 -4.12 115.26 107.58 1ujt n ASN 97 Ca -0.03 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.40 1ujt n ASN 97 Cb 0.12 -0.01 -0.02 0.00 1.24 0.00 0.00 39.78 41.11 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1ujt n GLU 98 N -2.37 0.13 -1.22 1.20 0.28 -1.26 -5.05 120.64 112.35 1ujt n GLU 98 Ca 0.00 0.04 -0.31 0.00 -0.16 0.00 0.00 57.16 56.73 1ujt n GLU 98 Cb 0.00 -1.03 0.11 0.00 1.43 0.00 0.00 31.44 31.95 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1ujt s PHE 99 N -2.11 2.46 -0.15 -1.84 -0.71 -1.26 -5.05 117.98 109.32 1ujt s PHE 99 Ca -0.07 1.46 -0.01 0.00 -1.04 0.00 0.00 56.93 57.26 1ujt s PHE 99 Cb 0.02 -3.09 0.04 0.00 -1.21 0.00 0.00 43.02 38.78 1ujt s PHE 99 CO 0.12 -2.03 -0.02 1.14 -1.34 0.00 0.00 175.22 173.09 1ujt s GLN 100 N -4.91 1.03 1.01 1.99 -2.07 -1.26 -3.47 119.66 111.99 1ujt s GLN 100 Ca 0.62 -0.33 -0.15 0.00 -1.82 0.00 0.00 55.36 53.67 1ujt s GLN 100 Cb -0.18 -1.78 0.12 0.00 -1.09 0.00 0.00 33.01 30.09 1ujt s GLN 100 CO 0.56 -0.45 0.09 0.41 -1.32 0.00 0.00 175.29 174.59 1ujt n GLY 101 N 4.99 -2.48 3.16 2.60 0.00 0.14 -4.86 105.19 108.75 1ujt n GLY 101 Ca -0.10 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1ujt n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujt n MET 102 N -1.39 -0.19 -3.85 1.61 0.00 -1.26 -4.45 117.12 107.59 1ujt n MET 102 Ca 0.04 -0.04 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 1ujt n MET 102 Cb 0.43 -1.33 -0.13 0.00 0.00 0.00 0.00 33.22 32.18 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1ujt s ASP 103 N -1.40 4.62 1.14 7.83 -4.77 -1.26 -4.20 116.67 118.63 1ujt s ASP 103 Ca 0.46 -0.46 -0.18 0.00 -3.30 0.00 0.00 52.55 49.08 1ujt s ASP 103 Cb -0.16 -1.80 0.15 0.00 -1.09 0.00 0.00 42.92 40.02 1ujt s ASP 103 CO 0.75 -0.06 0.19 -1.54 0.70 0.00 0.00 175.17 175.21 1ujt n SER 104 N 4.83 -2.57 -4.57 2.11 3.41 -0.55 -4.74 113.62 111.52 1ujt n SER 104 Ca -0.17 -0.24 -0.40 0.00 -0.26 0.00 0.00 58.87 57.80 1ujt n SER 104 Cb 0.50 -0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1ujt n SER 104 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ujt s GLU 105 N -3.63 2.73 -0.35 4.33 0.41 -1.26 -4.71 118.70 116.22 1ujt s GLU 105 Ca 0.54 1.48 -0.35 0.00 -0.41 0.00 0.00 54.97 56.23 1ujt s GLU 105 Cb -0.12 -4.42 -0.11 0.00 -1.78 0.00 0.00 34.13 27.71 1ujt s GLU 105 CO 0.60 -2.57 2.20 -1.13 -0.49 0.00 0.00 175.26 173.87 1ujt n SER 106 N 13.06 2.17 -4.79 -0.19 3.41 -1.26 -4.79 113.62 121.23 1ujt n SER 106 Ca 0.29 0.39 -0.36 0.00 -0.26 0.00 0.00 58.87 58.93 1ujt n SER 106 Cb 0.50 -1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 63.10 1ujt n SER 106 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1ujt s LYS 107 N 6.27 3.27 -0.18 4.33 -0.14 -0.97 -4.92 119.74 127.40 1ujt s LYS 107 Ca 1.09 -0.25 -0.11 0.00 -1.36 0.00 0.00 55.97 55.34 1ujt s LYS 107 Cb -0.83 -3.03 -0.05 0.00 -1.68 0.00 0.00 37.83 32.25 1ujt s LYS 107 CO 0.48 0.73 0.18 0.95 -0.76 0.00 0.00 175.35 176.93 1ujt s THR 108 N -0.92 5.39 -0.25 2.17 -4.23 -1.26 -2.20 115.64 114.33 1ujt s THR 108 Ca 0.14 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1ujt s THR 108 Cb -0.12 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1ujt s THR 108 CO 0.03 0.44 -0.01 0.54 -0.54 0.00 0.00 174.62 175.08 1ujt s VAL 109 N 0.24 3.35 -0.51 2.29 0.11 0.50 -4.88 120.40 121.50 1ujt s VAL 109 Ca 0.11 -0.78 -0.23 0.00 -2.93 0.00 0.00 61.98 58.16 1ujt s VAL 109 Cb -0.12 -2.66 0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1ujt s VAL 109 CO 0.00 0.22 0.82 -0.60 -3.33 0.00 0.00 175.10 172.22 1ujt s ARG 110 N 1.42 3.30 -0.51 1.54 3.52 -1.26 -0.75 118.95 126.20 1ujt s ARG 110 Ca 0.02 -0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 54.97 1ujt s ARG 110 Cb -0.16 -4.03 0.01 0.00 -1.56 0.00 0.00 34.95 29.20 1ujt s ARG 110 CO -0.02 -1.33 1.48 0.95 -0.81 0.00 0.00 175.30 175.58 1ujt s THR 111 N 3.46 3.75 1.03 4.11 -4.23 -0.83 -4.93 115.64 118.00 1ujt s THR 111 Ca 0.26 0.68 -0.20 0.00 -1.18 0.00 0.00 61.69 61.25 1ujt s THR 111 Cb -0.14 -4.27 -0.06 0.00 1.34 0.00 0.00 72.50 69.36 1ujt s THR 111 CO 0.18 -0.98 -0.62 1.07 -0.54 0.00 0.00 174.62 173.72 1ujt n THR 112 N 6.99 0.00 -0.10 3.99 5.66 -1.26 -0.81 114.28 128.75 1ujt n THR 112 Ca 0.15 -0.23 -0.17 0.00 -3.05 0.00 0.00 64.05 60.75 1ujt n THR 112 Cb 0.49 -0.27 -0.08 0.00 -1.55 0.00 0.00 70.33 68.92 1ujt n THR 112 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ujt n GLU 113 N 0.52 0.45 -3.38 1.09 1.02 -1.26 -2.45 120.64 116.63 1ujt n GLU 113 Ca 0.00 0.15 -0.34 0.00 -0.02 0.00 0.00 57.16 56.95 1ujt n GLU 113 Cb 0.64 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.71 1ujt n GLU 113 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ujt s GLU 114 N -2.37 3.93 0.05 3.49 2.02 -1.26 -4.87 118.70 119.68 1ujt s GLU 114 Ca -0.27 0.43 -0.38 0.00 0.02 0.00 0.00 54.97 54.78 1ujt s GLU 114 Cb 0.09 -2.86 -0.19 0.00 0.10 0.00 0.00 34.13 31.27 1ujt s GLU 114 CO 0.39 0.44 1.08 0.43 0.02 0.00 0.00 175.26 177.63 1ujt n SER 115 N 0.58 0.30 -4.11 -0.19 7.64 -1.26 -4.90 113.62 111.68 1ujt n SER 115 Ca -0.04 1.15 -0.37 0.00 1.01 0.00 0.00 58.87 60.62 1ujt n SER 115 Cb 0.52 -1.00 -0.09 0.00 -1.01 0.00 0.00 64.21 62.64 1ujt n SER 115 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujt s GLY 116 N 0.01 2.63 0.19 0.23 0.00 -1.26 -5.07 107.32 104.05 1ujt s GLY 116 Ca 0.86 -3.39 -0.30 0.00 0.00 0.00 0.00 44.72 41.89 1ujt s GLY 116 CO 0.55 1.13 1.31 2.56 0.00 0.00 0.00 173.10 178.64 1ujt s PRO 117 N -0.32 4.39 0.36 2.90 0.04 -1.26 -5.02 135.00 136.09 1ujt s PRO 117 Ca 0.19 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 1ujt s PRO 117 Cb -0.17 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1ujt s PRO 117 CO -0.05 -0.25 0.57 -1.54 0.04 0.00 0.00 177.00 175.76 1ujt s SER 118 N 0.36 0.66 -0.22 6.66 1.04 -1.26 -5.14 113.70 115.80 1ujt s SER 118 Ca 0.57 -1.39 -0.20 0.00 0.48 0.00 0.00 55.95 55.41 1ujt s SER 118 Cb -0.36 0.72 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 1ujt s SER 118 CO 0.38 -1.42 0.61 -0.44 0.98 0.00 0.00 173.24 173.35 1ujt s SER 119 N -3.19 6.62 0.00 7.02 0.01 -1.26 -5.31 113.70 117.59 1ujt s SER 119 Ca 0.26 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.27 1ujt s SER 119 Cb -0.02 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1ujt s SER 119 CO 0.18 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.13