#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 5.78 -1.65 1.61 0.01 -1.26 -4.73 113.70 113.45 1ujt s SER 2 Ca 0.00 -2.88 -0.21 0.00 1.31 0.00 0.00 55.95 54.17 1ujt s SER 2 Cb 0.00 -1.97 0.21 0.00 0.21 0.00 0.00 66.02 64.46 1ujt s SER 2 CO 0.00 -0.42 0.53 -1.54 0.41 0.00 0.00 173.24 172.22 1ujt n SER 3 N 3.54 -1.77 -2.40 2.44 3.41 -1.26 -3.57 113.62 114.01 1ujt n SER 3 Ca 0.11 -1.03 -0.01 0.00 -0.26 0.00 0.00 58.87 57.68 1ujt n SER 3 Cb 0.41 -1.56 -0.01 0.00 -0.26 0.00 0.00 64.21 62.79 1ujt n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujt n GLY 4 N -1.00 -4.99 3.19 5.00 0.00 -1.26 -5.07 105.19 101.06 1ujt n GLY 4 Ca 0.10 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.54 0.02 -0.14 1.61 0.01 -1.23 -5.09 113.70 108.33 1ujt s SER 5 Ca -0.06 -0.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 1ujt s SER 5 Cb 0.00 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 1ujt s SER 5 CO 0.16 -0.57 1.92 -0.55 0.41 0.00 0.00 173.24 174.62 1ujt s SER 6 N -2.09 6.09 0.00 2.44 0.15 -1.26 -4.66 113.70 114.37 1ujt s SER 6 Ca -0.05 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.63 1ujt s SER 6 Cb -0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1ujt s SER 6 CO -0.04 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.58 1ujt n GLY 7 N 5.00 -0.73 0.08 9.45 0.00 -1.26 -5.08 105.19 112.65 1ujt n GLY 7 Ca 0.23 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 1ujt n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ujt n ARG 8 N 0.00 0.66 -0.21 1.61 1.85 -1.26 -4.46 116.66 114.84 1ujt n ARG 8 Ca 0.00 0.08 0.04 0.00 -1.00 0.00 0.00 57.85 56.96 1ujt n ARG 8 Cb 0.00 -1.33 0.13 0.00 -1.05 0.00 0.00 32.46 30.21 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1ujt n GLN 9 N -2.89 1.93 -0.01 2.89 7.27 -1.26 -4.13 117.38 121.17 1ujt n GLN 9 Ca -0.28 -1.03 -0.13 0.00 0.07 0.00 0.00 57.00 55.64 1ujt n GLN 9 Cb 0.83 -1.43 -0.09 0.00 2.41 0.00 0.00 30.24 31.95 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 1.50 1.31 0.00 1.69 3.04 -1.99 -0.12 116.25 121.69 1ujt h VAL 10 Ca 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.77 1ujt h VAL 10 Cb 0.63 1.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1ujt h VAL 10 CO 0.07 0.24 0.00 0.00 -1.01 0.00 0.00 177.57 176.87 1ujt n GLN 11 N -4.89 0.35 -0.05 4.17 6.02 -1.26 -0.77 117.38 120.95 1ujt n GLN 11 Ca -0.08 0.05 -0.06 0.00 -0.01 0.00 0.00 57.00 56.90 1ujt n GLN 11 Cb 0.21 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.09 0.34 -0.09 -1.09 0.00 -1.01 -4.64 118.16 110.58 1ujt n LYS 12 Ca 0.09 0.14 -0.12 0.00 0.00 0.00 0.00 58.31 58.41 1ujt n LYS 12 Cb 0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 35.03 33.97 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 -0.64 0.60 0.00 1.64 4.57 -1.04 -3.01 114.58 116.69 1ujt h GLU 13 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1ujt h GLU 13 Cb 0.64 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1ujt h GLU 13 CO 0.00 0.85 0.00 -0.11 -1.18 0.00 0.00 179.01 178.57 1ujt n LEU 14 N -4.41 0.00 -0.31 1.64 7.94 0.05 0.01 117.00 121.91 1ujt n LEU 14 Ca -0.04 0.53 0.01 0.00 -1.11 0.00 0.00 56.01 55.41 1ujt n LEU 14 Cb 0.38 -0.18 0.14 0.00 0.53 0.00 0.00 43.42 44.29 1ujt n LEU 14 CO 0.42 -0.18 1.19 1.23 -1.11 0.00 0.00 177.39 178.94 1ujt h GLY 15 N 0.00 1.30 -0.07 -3.96 0.00 -1.77 -2.12 103.07 96.45 1ujt h GLY 15 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 47.33 47.13 1ujt h GLY 15 CO 0.00 0.25 0.32 -1.80 0.00 0.00 0.00 176.54 175.31 1ujt h ASP 16 N 0.96 0.25 -1.10 0.19 1.82 -0.59 -3.41 116.42 114.54 1ujt h ASP 16 Ca 0.38 0.14 -0.75 0.00 -0.39 0.00 0.00 57.03 56.41 1ujt h ASP 16 Cb 0.19 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1ujt h ASP 16 CO -0.18 0.03 1.05 0.52 -1.61 0.00 0.00 179.24 179.05 1ujt n VAL 17 N -5.05 0.18 -3.40 2.25 0.31 0.10 -4.89 118.33 107.84 1ujt n VAL 17 Ca 0.18 -0.08 -0.45 0.00 -0.01 0.00 0.00 64.34 63.98 1ujt n VAL 17 Cb 0.54 -1.08 -0.05 0.00 -0.91 0.00 0.00 33.84 32.34 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ujt s LEU 18 N 4.68 6.28 -0.13 7.52 2.96 -1.26 -4.76 118.68 133.96 1ujt s LEU 18 Ca 1.06 -2.32 -0.27 0.00 -0.22 0.00 0.00 54.13 52.38 1ujt s LEU 18 Cb -1.17 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 1ujt s LEU 18 CO 0.65 -0.66 0.89 -0.69 -1.32 0.00 0.00 176.35 175.22 1ujt s VAL 19 N 0.76 4.86 -0.38 1.68 1.01 -1.26 -4.00 120.40 123.07 1ujt s VAL 19 Ca 0.11 1.78 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 1ujt s VAL 19 Cb -0.20 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1ujt s VAL 19 CO -0.03 0.05 0.38 -0.60 0.00 0.00 0.00 175.10 174.89 1ujt s ARG 20 N 1.92 3.32 -0.58 2.72 3.52 0.91 -4.73 118.95 126.04 1ujt s ARG 20 Ca 0.42 -0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 55.20 1ujt s ARG 20 Cb -0.17 -3.88 0.08 0.00 -1.56 0.00 0.00 34.95 29.41 1ujt s ARG 20 CO 0.16 -0.67 0.77 -1.17 -0.81 0.00 0.00 175.30 173.58 1ujt s LEU 21 N 2.01 4.90 0.00 -0.88 2.96 -1.26 -2.07 118.68 124.34 1ujt s LEU 21 Ca 0.11 -1.07 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 1ujt s LEU 21 Cb -0.17 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1ujt s LEU 21 CO 0.12 -1.14 0.72 1.41 -1.32 0.00 0.00 176.35 176.14 1ujt n HIS 22 N 6.73 0.00 -3.65 5.38 8.25 -1.25 -4.98 115.22 125.70 1ujt n HIS 22 Ca -0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1ujt n HIS 22 Cb 0.44 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 1ujt n HIS 22 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1ujt s ASN 23 N -2.00 -0.19 -1.19 0.41 -0.87 -1.26 -5.08 114.94 104.76 1ujt s ASN 23 Ca 0.00 0.35 -0.23 0.00 -1.57 0.00 0.00 52.86 51.41 1ujt s ASN 23 Cb 0.00 0.56 -0.09 0.00 -0.02 0.00 0.00 41.25 41.70 1ujt s ASN 23 CO 0.00 -0.06 1.94 -2.16 -2.57 0.00 0.00 177.10 174.25 1ujt s PRO 24 N 0.39 2.49 -0.49 -0.60 0.04 -1.26 -4.51 135.00 131.06 1ujt s PRO 24 Ca 0.02 -1.17 -0.29 0.00 0.04 0.00 0.00 61.00 59.59 1ujt s PRO 24 Cb -0.04 -5.24 -0.10 0.00 0.04 0.00 0.00 34.50 29.15 1ujt s PRO 24 CO -0.12 -4.00 2.38 0.28 0.04 0.00 0.00 177.00 175.57 1ujt n VAL 25 N 7.81 0.06 -2.40 -0.36 0.31 -0.70 -4.75 118.33 118.30 1ujt n VAL 25 Ca 0.45 -0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1ujt n VAL 25 Cb 0.47 -2.12 -0.02 0.00 -0.91 0.00 0.00 33.84 31.25 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 9.92 4.18 -0.24 2.52 0.11 -1.26 -1.82 120.40 133.81 1ujt s VAL 26 Ca 1.07 1.49 0.01 0.00 -2.93 0.00 0.00 61.98 61.62 1ujt s VAL 26 Cb -0.54 -3.96 -0.18 0.00 -1.53 0.00 0.00 36.38 30.17 1ujt s VAL 26 CO 0.37 -0.05 -0.16 0.18 -3.33 0.00 0.00 175.10 172.10 1ujt n LEU 27 N 5.81 2.90 -3.87 2.54 4.77 -1.21 -4.94 117.00 123.00 1ujt n LEU 27 Ca 0.12 -0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 1ujt n LEU 27 Cb 0.45 -0.91 -0.07 0.00 -2.33 0.00 0.00 43.42 40.56 1ujt n LEU 27 CO 0.56 0.92 -0.10 0.42 -1.33 0.00 0.00 177.39 177.87 1ujt s THR 28 N -2.52 0.14 -2.00 -5.08 -4.23 -0.25 -5.01 115.64 96.69 1ujt s THR 28 Ca -0.33 -1.21 0.14 0.00 -1.18 0.00 0.00 61.69 59.10 1ujt s THR 28 Cb 0.09 -1.38 0.39 0.00 1.34 0.00 0.00 72.50 72.93 1ujt s THR 28 CO 0.62 -0.63 1.24 -0.81 -0.54 0.00 0.00 174.62 174.50 1ujt n PRO 29 N -0.07 0.49 0.00 3.99 -0.04 -1.26 -2.12 135.00 135.99 1ujt n PRO 29 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1ujt n PRO 29 Cb 0.62 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.93 0.00 -3.73 0.52 -2.24 -1.26 -3.21 114.28 103.43 1ujt n THR 30 Ca 0.10 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1ujt n THR 30 Cb 0.05 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.34 -0.02 -0.01 4.28 2.01 -0.90 -3.01 115.64 117.66 1ujt s THR 31 Ca 0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1ujt s THR 31 Cb 0.00 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1ujt s THR 31 CO 0.00 0.02 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.12 1ujt s VAL 32 N 0.84 1.17 -0.20 3.82 1.01 -1.02 -1.09 120.40 124.93 1ujt s VAL 32 Ca -0.05 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1ujt s VAL 32 Cb -0.06 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1ujt s VAL 32 CO -0.06 0.31 0.23 -1.58 0.00 0.00 0.00 175.10 174.00 1ujt s GLN 33 N -0.40 4.19 -0.13 2.72 0.74 -0.75 -1.60 119.66 124.42 1ujt s GLN 33 Ca 0.06 -0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.41 1ujt s GLN 33 Cb -0.06 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.58 1ujt s GLN 33 CO -0.00 0.18 -0.15 0.08 -0.55 0.00 0.00 175.29 174.84 1ujt s VAL 34 N 0.68 2.78 0.11 1.34 1.01 0.79 -1.73 120.40 125.38 1ujt s VAL 34 Ca 0.12 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1ujt s VAL 34 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ujt s VAL 34 CO 0.03 0.53 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 1ujt s THR 35 N 0.48 1.47 0.26 3.92 2.01 -1.26 -0.76 115.64 121.76 1ujt s THR 35 Ca -0.11 -1.57 -0.19 0.00 0.31 0.00 0.00 61.69 60.13 1ujt s THR 35 Cb -0.16 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 70.91 1ujt s THR 35 CO 0.05 -0.23 0.65 -1.66 -0.69 0.00 0.00 174.62 172.74 1ujt s TRP 36 N -1.56 -0.09 0.10 4.92 -2.14 -0.29 -3.90 118.94 115.98 1ujt s TRP 36 Ca 0.06 -0.32 -0.01 0.00 2.66 0.00 0.00 56.10 58.49 1ujt s TRP 36 Cb -0.08 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.82 1ujt s TRP 36 CO 0.04 -1.14 0.03 -0.08 -2.66 0.00 0.00 176.95 173.14 1ujt s THR 37 N -3.93 0.15 0.06 0.66 -1.32 -0.88 -4.73 115.64 105.66 1ujt s THR 37 Ca 0.13 -1.84 -0.00 0.00 -1.21 0.00 0.00 61.69 58.76 1ujt s THR 37 Cb -0.04 -1.80 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 1ujt s THR 37 CO 0.05 -0.69 -0.04 0.68 -2.21 0.00 0.00 174.62 172.41 1ujt s VAL 38 N -3.99 0.33 -0.23 5.08 -7.23 -1.26 -0.06 120.40 113.04 1ujt s VAL 38 Ca 0.16 -1.82 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 1ujt s VAL 38 Cb 0.08 -1.53 -0.17 0.00 0.56 0.00 0.00 36.38 35.31 1ujt s VAL 38 CO -0.04 -0.96 -0.04 -0.67 -0.31 0.00 0.00 175.10 173.09 1ujt n ASP 39 N 0.10 1.96 -3.80 4.85 -0.08 -1.26 -4.72 116.55 113.60 1ujt n ASP 39 Ca -0.14 0.27 -0.28 0.00 -1.51 0.00 0.00 54.79 53.13 1ujt n ASP 39 Cb 0.61 -0.81 -0.11 0.00 2.34 0.00 0.00 41.12 43.15 1ujt n ASP 39 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ujt n ARG 40 N -4.03 2.03 -1.67 -0.67 1.74 -1.26 -5.07 116.66 107.72 1ujt n ARG 40 Ca -0.43 -4.54 -0.56 0.00 -0.77 0.00 0.00 57.85 51.55 1ujt n ARG 40 Cb 0.86 -2.29 -0.07 0.00 -1.02 0.00 0.00 32.46 29.94 1ujt n ARG 40 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ujt n GLN 41 N 1.71 1.22 -2.26 5.56 0.00 -1.26 -4.82 117.38 117.53 1ujt n GLN 41 Ca 0.22 0.44 -0.36 0.00 -0.00 0.00 0.00 57.00 57.30 1ujt n GLN 41 Cb 0.36 -2.18 -0.00 0.00 0.00 0.00 0.00 30.24 28.42 1ujt n GLN 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1ujt s PRO 42 N 3.94 3.59 -0.21 3.69 0.04 -1.26 -4.99 135.00 139.80 1ujt s PRO 42 Ca 1.00 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 63.52 1ujt s PRO 42 Cb -1.03 -2.23 -0.19 0.00 0.04 0.00 0.00 34.50 31.08 1ujt s PRO 42 CO 0.63 -0.68 0.23 1.96 0.04 0.00 0.00 177.00 179.19 1ujt h GLN 43 N 1.68 0.00 -0.78 4.56 7.50 -2.01 -3.38 115.11 122.69 1ujt h GLN 43 Ca -0.50 -0.01 0.09 0.00 0.50 0.00 0.00 58.65 58.73 1ujt h GLN 43 Cb 1.25 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 28.72 1ujt h GLN 43 CO 0.59 1.00 0.44 0.27 -1.50 0.00 0.00 178.83 179.63 1ujt h PHE 44 N -0.99 0.80 -0.66 2.96 -0.00 -1.99 -3.44 116.94 113.63 1ujt h PHE 44 Ca -0.34 0.03 -0.51 0.00 -0.00 0.00 0.00 57.97 57.15 1ujt h PHE 44 Cb 1.30 -0.24 0.04 0.00 -0.00 0.00 0.00 35.95 37.05 1ujt h PHE 44 CO 0.10 0.33 -0.02 1.51 -0.00 0.00 0.00 178.31 180.23 1ujt n ILE 45 N -4.76 0.21 0.10 0.88 3.06 -1.26 -4.84 119.36 112.73 1ujt n ILE 45 Ca 0.12 -0.05 0.11 0.00 -2.50 0.00 0.00 62.75 60.43 1ujt n ILE 45 Cb 0.26 0.00 -0.05 0.00 0.54 0.00 0.00 39.64 40.39 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 0.94 0.60 0.00 9.51 1.13 -1.13 -4.84 117.38 123.60 1ujt n GLN 46 Ca 0.13 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1ujt n GLN 46 Cb 0.07 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.69 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 1.21 -0.67 3.54 1.08 0.00 -1.24 -3.72 105.19 105.39 1ujt n GLY 47 Ca -0.01 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.03 -1.18 -0.26 1.61 2.02 -1.26 -4.25 117.35 113.00 1ujt s TYR 48 Ca 0.00 2.10 -0.24 0.00 -0.37 0.00 0.00 57.07 58.56 1ujt s TYR 48 Cb 0.00 0.66 -0.00 0.00 -0.40 0.00 0.00 41.96 42.22 1ujt s TYR 48 CO 0.00 -0.61 0.81 0.50 -1.57 0.00 0.00 175.55 174.69 1ujt s ARG 49 N 2.72 4.11 -0.71 -0.62 3.52 -1.01 -2.30 118.95 124.66 1ujt s ARG 49 Ca -0.05 0.82 -0.15 0.00 -0.13 0.00 0.00 55.73 56.22 1ujt s ARG 49 Cb -0.12 -3.67 0.18 0.00 -1.56 0.00 0.00 34.95 29.79 1ujt s ARG 49 CO -0.17 -0.57 0.66 0.08 -0.81 0.00 0.00 175.30 174.48 1ujt s VAL 50 N 2.89 5.45 0.38 7.11 1.01 -0.62 -3.16 120.40 133.46 1ujt s VAL 50 Ca 0.34 -2.08 -0.24 0.00 0.00 0.00 0.00 61.98 60.00 1ujt s VAL 50 Cb -0.15 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.72 1ujt s VAL 50 CO 0.09 -0.96 1.01 -0.04 0.00 0.00 0.00 175.10 175.20 1ujt s MET 51 N 0.74 4.29 -0.03 2.72 -1.94 -1.09 -2.30 119.30 121.68 1ujt s MET 51 Ca 0.12 1.43 -0.29 0.00 -1.71 0.00 0.00 55.69 55.24 1ujt s MET 51 Cb -0.18 -2.58 0.10 0.00 2.01 0.00 0.00 34.83 34.18 1ujt s MET 51 CO -0.04 -0.01 0.86 1.52 -0.01 0.00 0.00 175.02 177.33 1ujt s TYR 52 N -1.69 -0.41 -0.00 -0.03 1.13 -1.20 -2.56 117.35 112.58 1ujt s TYR 52 Ca 0.56 0.44 -0.30 0.00 -1.41 0.00 0.00 57.07 56.36 1ujt s TYR 52 Cb -0.20 0.50 0.11 0.00 -1.10 0.00 0.00 41.96 41.27 1ujt s TYR 52 CO 0.25 -0.54 1.16 -0.98 -2.51 0.00 0.00 175.55 172.93 1ujt s ARG 53 N -2.45 0.62 0.33 -3.49 1.70 -1.11 -0.81 118.95 113.74 1ujt s ARG 53 Ca 0.01 -0.32 -0.17 0.00 -0.47 0.00 0.00 55.73 54.78 1ujt s ARG 53 Cb -0.01 0.23 -0.09 0.00 -0.57 0.00 0.00 34.95 34.51 1ujt s ARG 53 CO -0.04 -0.28 0.79 -1.14 -1.08 0.00 0.00 175.30 173.54 1ujt s GLN 54 N -2.70 4.11 -0.16 3.89 0.74 -1.26 -2.58 119.66 121.70 1ujt s GLN 54 Ca 0.12 0.82 0.08 0.00 0.05 0.00 0.00 55.36 56.43 1ujt s GLN 54 Cb 0.02 -2.47 -0.15 0.00 1.10 0.00 0.00 33.01 31.50 1ujt s GLN 54 CO -0.03 0.16 -0.05 0.25 -0.55 0.00 0.00 175.29 175.07 1ujt n THR 55 N -0.20 1.04 -4.35 -0.34 -2.24 -0.95 -1.69 114.28 105.55 1ujt n THR 55 Ca 0.03 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 61.09 1ujt n THR 55 Cb 0.53 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 1ujt n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ujt s SER 56 N -5.27 1.50 0.00 3.42 0.15 -1.26 -4.41 113.70 107.83 1ujt s SER 56 Ca -0.16 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1ujt s SER 56 Cb 0.05 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1ujt s SER 56 CO 0.52 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.61 1ujt n GLY 57 N 2.06 0.27 0.11 9.45 0.00 -1.26 -4.56 105.19 111.26 1ujt n GLY 57 Ca -0.17 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 1ujt n GLY 57 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujt n LEU 58 N 0.00 1.88 -0.12 0.99 -0.00 -1.26 -4.17 117.00 114.33 1ujt n LEU 58 Ca 0.00 0.41 0.03 0.00 -0.00 0.00 0.00 56.01 56.45 1ujt n LEU 58 Cb 0.00 -0.93 0.17 0.00 -0.00 0.00 0.00 43.42 42.66 1ujt n LEU 58 CO 0.00 0.33 0.61 0.00 -0.00 0.00 0.00 177.39 178.33 1ujt n GLN 59 N -4.40 1.15 -1.97 1.96 1.13 -1.26 -4.80 117.38 109.19 1ujt n GLN 59 Ca -0.37 -0.23 -0.39 0.00 -1.94 0.00 0.00 57.00 54.08 1ujt n GLN 59 Cb 0.72 -1.12 0.01 0.00 0.11 0.00 0.00 30.24 29.96 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujt s ALA 60 N -1.93 3.10 -0.29 -1.58 0.00 -1.26 -2.58 121.76 117.23 1ujt s ALA 60 Ca 0.11 1.26 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 1ujt s ALA 60 Cb 0.06 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1ujt s ALA 60 CO 0.08 -1.01 0.09 -2.37 0.00 0.00 0.00 175.76 172.56 1ujt n THR 61 N -0.32 0.00 -0.05 0.00 5.66 -0.68 -4.71 114.28 114.18 1ujt n THR 61 Ca 0.06 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.85 1ujt n THR 61 Cb 0.44 -0.08 -0.13 0.00 -1.55 0.00 0.00 70.33 69.01 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 -1.45 2.06 -3.64 1.09 2.88 -1.06 -5.03 113.62 108.47 1ujt n SER 62 Ca 0.02 0.13 -0.06 0.00 -1.33 0.00 0.00 58.87 57.63 1ujt n SER 62 Cb 0.43 -0.74 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 1ujt n SER 62 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujt s SER 63 N -6.90 -0.23 0.15 -3.46 0.15 -1.26 -5.16 113.70 96.99 1ujt s SER 63 Ca -0.27 0.41 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 1ujt s SER 63 Cb 0.08 0.40 -0.07 0.00 -1.71 0.00 0.00 66.02 64.72 1ujt s SER 63 CO 0.70 -0.11 0.61 0.26 1.20 0.00 0.00 173.24 175.90 1ujt s TRP 64 N -0.14 3.67 0.45 3.44 0.52 -1.26 -4.73 118.94 120.89 1ujt s TRP 64 Ca 0.05 1.22 0.08 0.00 0.02 0.00 0.00 56.10 57.47 1ujt s TRP 64 Cb -0.04 -2.48 0.02 0.00 -1.15 0.00 0.00 33.47 29.82 1ujt s TRP 64 CO -0.09 0.44 0.56 -0.65 0.02 0.00 0.00 176.95 177.23 1ujt s GLN 65 N -1.75 2.66 -0.09 4.98 -1.52 0.01 -4.98 119.66 118.97 1ujt s GLN 65 Ca 0.37 -1.40 -0.04 0.00 -1.95 0.00 0.00 55.36 52.34 1ujt s GLN 65 Cb -0.17 -2.64 0.05 0.00 -0.22 0.00 0.00 33.01 30.03 1ujt s GLN 65 CO 0.20 -0.37 0.21 -0.80 -0.25 0.00 0.00 175.29 174.28 1ujt s ASN 66 N -4.36 0.06 -0.34 5.90 -0.87 -1.26 -3.26 114.94 110.81 1ujt s ASN 66 Ca 0.54 0.44 0.03 0.00 -1.57 0.00 0.00 52.86 52.30 1ujt s ASN 66 Cb -0.08 0.38 0.10 0.00 -0.02 0.00 0.00 41.25 41.63 1ujt s ASN 66 CO 0.32 -0.19 0.07 -0.22 -2.57 0.00 0.00 177.10 174.52 1ujt s LEU 67 N 1.62 4.29 -0.18 0.60 2.96 -0.97 -4.95 118.68 122.05 1ujt s LEU 67 Ca -0.05 -2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 51.45 1ujt s LEU 67 Cb -0.11 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1ujt s LEU 67 CO -0.07 -0.38 1.15 -1.81 -1.32 0.00 0.00 176.35 173.92 1ujt s ASP 68 N 0.96 7.03 0.32 3.68 1.01 -1.26 -1.59 116.67 126.82 1ujt s ASP 68 Ca 0.11 1.57 0.08 0.00 0.71 0.00 0.00 52.55 55.02 1ujt s ASP 68 Cb -0.19 -2.54 0.56 0.00 1.01 0.00 0.00 42.92 41.76 1ujt s ASP 68 CO -0.11 -0.69 1.77 0.00 0.21 0.00 0.00 175.17 176.35 1ujt h ALA 69 N 7.78 1.24 -4.19 5.23 0.00 -1.85 -3.47 119.26 123.99 1ujt h ALA 69 Ca -0.24 -0.35 -0.38 0.00 0.00 0.00 0.00 54.91 53.94 1ujt h ALA 69 Cb 1.09 -0.09 0.06 0.00 0.00 0.00 0.00 17.79 18.85 1ujt h ALA 69 CO 0.96 0.52 -0.57 1.63 0.00 0.00 0.00 179.25 181.79 1ujt n LYS 70 N -4.10 -4.62 -3.15 0.00 5.02 -1.26 -4.96 118.16 105.09 1ujt n LYS 70 Ca -0.01 0.85 0.05 0.00 -2.02 0.00 0.00 58.31 57.18 1ujt n LYS 70 Cb 0.41 -5.58 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 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 -3.14 -0.38 -1.34 -0.18 0.11 -1.24 -4.97 120.40 109.25 1ujt s VAL 71 Ca 0.29 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.48 1ujt s VAL 71 Cb -0.13 -0.73 0.23 0.00 -1.53 0.00 0.00 36.38 34.23 1ujt s VAL 71 CO 0.35 0.00 1.42 -0.81 -3.33 0.00 0.00 175.10 172.73 1ujt n PRO 72 N 5.33 0.16 -0.11 1.54 -0.04 -1.25 -2.48 135.00 138.16 1ujt n PRO 72 Ca 0.00 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1ujt n PRO 72 Cb 0.55 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.60 1ujt n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 73 N -1.33 0.30 -4.13 0.52 -2.24 -1.26 -4.75 114.28 101.39 1ujt n THR 73 Ca 0.06 -0.28 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 1ujt n THR 73 Cb 0.13 0.10 -0.17 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.72 0.90 -0.19 -0.78 0.41 -1.03 -5.01 118.70 111.28 1ujt s GLU 74 Ca 0.14 -0.11 0.16 0.00 -0.41 0.00 0.00 54.97 54.75 1ujt s GLU 74 Cb 0.07 -0.94 0.52 0.00 -1.78 0.00 0.00 34.13 32.00 1ujt s GLU 74 CO 0.09 -0.11 1.42 0.54 -0.49 0.00 0.00 175.26 176.71 1ujt n ARG 75 N 4.22 2.71 -3.68 1.61 1.74 -1.26 -4.90 116.66 117.11 1ujt n ARG 75 Ca -0.22 -2.87 -0.10 0.00 -0.77 0.00 0.00 57.85 53.89 1ujt n ARG 75 Cb 0.51 -1.83 -0.11 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.05 -0.26 0.35 0.55 1.04 -1.26 -1.14 113.70 110.93 1ujt s SER 76 Ca 0.42 0.85 0.05 0.00 0.48 0.00 0.00 55.95 57.76 1ujt s SER 76 Cb 0.35 0.94 -0.07 0.00 0.10 0.00 0.00 66.02 67.34 1ujt s SER 76 CO 0.08 -0.21 0.02 0.00 0.98 0.00 0.00 173.24 174.10 1ujt s ALA 77 N 1.99 2.68 -0.05 5.32 0.00 0.06 -4.96 121.76 126.80 1ujt s ALA 77 Ca -0.05 -2.14 0.02 0.00 0.00 0.00 0.00 51.96 49.80 1ujt s ALA 77 Cb -0.10 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1ujt s ALA 77 CO -0.12 -0.20 -0.10 0.08 0.00 0.00 0.00 175.76 175.42 1ujt s VAL 78 N -3.02 0.93 0.04 0.00 1.01 -1.26 -0.15 120.40 117.95 1ujt s VAL 78 Ca 0.35 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1ujt s VAL 78 Cb 0.08 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 1ujt s VAL 78 CO 0.16 0.30 0.27 -0.76 0.00 0.00 0.00 175.10 175.07 1ujt s LEU 79 N 0.54 4.35 0.38 3.92 1.43 -0.63 -4.96 118.68 123.71 1ujt s LEU 79 Ca -0.10 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1ujt s LEU 79 Cb -0.13 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1ujt s LEU 79 CO 0.02 0.20 0.13 0.68 0.23 0.00 0.00 176.35 177.61 1ujt s VAL 80 N -1.40 0.63 -1.23 -1.59 -7.23 -1.26 -2.44 120.40 105.88 1ujt s VAL 80 Ca 0.31 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1ujt s VAL 80 Cb -0.13 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 1ujt s VAL 80 CO 0.20 0.00 0.84 0.59 -0.31 0.00 0.00 175.10 176.42 1ujt n ASN 81 N -1.17 -2.29 -4.86 4.85 3.02 -1.16 -4.98 115.26 108.66 1ujt n ASN 81 Ca -0.04 -0.75 -0.22 0.00 -0.03 0.00 0.00 54.58 53.54 1ujt n ASN 81 Cb 0.65 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.25 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ujt s LEU 82 N -6.41 3.26 -0.01 3.41 1.43 -1.21 -5.10 118.68 114.05 1ujt s LEU 82 Ca 0.08 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1ujt s LEU 82 Cb -0.02 -1.84 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 1ujt s LEU 82 CO 0.78 -0.70 0.42 -0.54 0.23 0.00 0.00 176.35 176.53 1ujt s LYS 83 N -4.12 3.97 -0.11 1.70 -0.14 -1.26 -4.68 119.74 115.10 1ujt s LYS 83 Ca 0.46 0.42 -0.21 0.00 -1.36 0.00 0.00 55.97 55.28 1ujt s LYS 83 Cb -0.02 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1ujt s LYS 83 CO 0.26 0.63 0.60 -1.59 -0.76 0.00 0.00 175.35 174.50 1ujt s LYS 84 N -0.90 4.36 0.00 1.68 -2.85 -1.20 -4.32 119.74 116.51 1ujt s LYS 84 Ca 0.24 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.87 1ujt s LYS 84 Cb -0.17 -3.47 0.00 0.00 -2.06 0.00 0.00 37.83 32.14 1ujt s LYS 84 CO 0.13 0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.03 1ujt n GLY 85 N 3.30 0.64 3.62 0.59 0.00 0.11 -4.85 105.19 108.59 1ujt n GLY 85 Ca -0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.55 0.00 0.17 1.61 0.11 -1.19 -4.96 120.40 113.59 1ujt s VAL 86 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 1ujt s VAL 86 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1ujt s VAL 86 CO 0.00 0.00 1.12 -0.89 -3.33 0.00 0.00 175.10 172.00 1ujt s THR 87 N -0.32 3.83 -0.15 5.04 2.01 -1.26 -2.59 115.64 122.20 1ujt s THR 87 Ca 0.02 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.58 1ujt s THR 87 Cb -0.03 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.51 1ujt s THR 87 CO -0.05 0.25 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.66 1ujt s TYR 88 N -0.11 2.37 -0.17 4.92 2.02 0.55 -2.24 117.35 124.69 1ujt s TYR 88 Ca 0.51 -1.31 -0.23 0.00 -0.37 0.00 0.00 57.07 55.67 1ujt s TYR 88 Cb -0.30 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 1ujt s TYR 88 CO 0.35 -0.67 0.72 -2.00 -1.57 0.00 0.00 175.55 172.38 1ujt s GLU 89 N 1.26 4.27 0.02 -0.62 2.12 -1.06 -0.23 118.70 124.45 1ujt s GLU 89 Ca 0.01 0.82 0.03 0.00 0.36 0.00 0.00 54.97 56.20 1ujt s GLU 89 Cb -0.14 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 1ujt s GLU 89 CO -0.09 -0.25 -0.11 0.42 -0.54 0.00 0.00 175.26 174.70 1ujt s ILE 90 N 1.90 0.82 -0.08 -3.70 1.01 -0.78 -2.74 121.20 117.63 1ujt s ILE 90 Ca 0.34 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1ujt s ILE 90 Cb -0.16 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1ujt s ILE 90 CO 0.12 0.05 0.23 -1.59 0.00 0.00 0.00 174.94 173.75 1ujt s LYS 91 N -0.72 0.32 0.16 2.79 0.00 -1.06 -0.45 119.74 120.77 1ujt s LYS 91 Ca 0.01 0.25 -0.06 0.00 0.00 0.00 0.00 55.97 56.17 1ujt s LYS 91 Cb -0.06 0.15 -0.06 0.00 0.00 0.00 0.00 37.83 37.86 1ujt s LYS 91 CO 0.00 -0.05 0.41 0.08 0.00 0.00 0.00 175.35 175.79 1ujt s VAL 92 N -0.07 5.12 -0.30 1.79 1.01 -1.26 -2.69 120.40 124.00 1ujt s VAL 92 Ca -0.02 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1ujt s VAL 92 Cb -0.02 -3.62 0.14 0.00 0.00 0.00 0.00 36.38 32.87 1ujt s VAL 92 CO 0.01 0.02 0.73 0.00 0.00 0.00 0.00 175.10 175.85 1ujt s ARG 93 N -2.69 0.51 -0.26 2.72 1.70 -1.19 -2.14 118.95 117.61 1ujt s ARG 93 Ca 0.42 1.28 -0.29 0.00 -0.47 0.00 0.00 55.73 56.67 1ujt s ARG 93 Cb -0.12 0.77 -0.02 0.00 -0.57 0.00 0.00 34.95 35.01 1ujt s ARG 93 CO 0.24 -0.19 1.63 -1.25 -1.08 0.00 0.00 175.30 174.65 1ujt s PRO 94 N 2.80 3.70 0.14 3.89 0.04 -1.26 -2.40 135.00 141.90 1ujt s PRO 94 Ca -0.04 1.56 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1ujt s PRO 94 Cb -0.11 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 1ujt s PRO 94 CO -0.19 -1.42 -0.05 1.52 0.04 0.00 0.00 177.00 176.91 1ujt s TYR 95 N 5.52 2.81 0.00 0.56 -0.85 -1.26 0.17 117.35 124.30 1ujt s TYR 95 Ca 0.72 -0.13 0.00 0.00 -0.52 0.00 0.00 57.07 57.14 1ujt s TYR 95 Cb -0.23 -1.41 0.00 0.00 0.38 0.00 0.00 41.96 40.69 1ujt s TYR 95 CO 0.30 0.48 0.00 0.34 -1.52 0.00 0.00 175.55 175.15 1ujt n PHE 96 N 0.30 0.00 -0.01 -3.49 7.35 -1.20 -2.83 117.46 117.59 1ujt n PHE 96 Ca -0.11 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.53 1ujt n PHE 96 Cb 0.54 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.35 1ujt n PHE 96 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ujt n ASN 97 N -1.89 1.09 0.00 -2.13 3.02 -1.26 -4.06 115.26 110.03 1ujt n ASN 97 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1ujt n ASN 97 Cb 0.00 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1ujt n GLU 98 N -3.64 0.00 -1.39 3.52 0.28 -1.26 -5.09 120.64 113.07 1ujt n GLU 98 Ca -0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.60 1ujt n GLU 98 Cb 0.30 -0.51 0.09 0.00 1.43 0.00 0.00 31.44 32.75 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 -1.78 2.36 -0.06 -1.84 -0.71 -1.26 -5.04 117.98 109.65 1ujt s PHE 99 Ca 0.00 1.60 0.04 0.00 -1.04 0.00 0.00 56.93 57.53 1ujt s PHE 99 Cb 0.00 -3.21 -0.02 0.00 -1.21 0.00 0.00 43.02 38.58 1ujt s PHE 99 CO 0.00 -2.04 -0.17 1.14 -1.34 0.00 0.00 175.22 172.80 1ujt s GLN 100 N -4.40 2.59 0.87 1.99 1.03 -1.26 -3.21 119.66 117.27 1ujt s GLN 100 Ca 0.66 -0.76 -0.12 0.00 0.04 0.00 0.00 55.36 55.19 1ujt s GLN 100 Cb -0.21 -2.34 0.11 0.00 0.03 0.00 0.00 33.01 30.60 1ujt s GLN 100 CO 0.49 0.51 1.10 0.20 -2.54 0.00 0.00 175.29 175.05 1ujt s GLY 101 N -0.46 1.62 -0.44 2.60 0.00 0.45 -4.86 107.32 106.22 1ujt s GLY 101 Ca 0.05 -0.13 -0.45 0.00 0.00 0.00 0.00 44.72 44.19 1ujt s GLY 101 CO 0.02 0.34 1.64 -0.13 0.00 0.00 0.00 173.10 174.97 1ujt n MET 102 N -3.75 0.32 -2.32 2.90 1.56 -1.26 -4.31 117.12 110.25 1ujt n MET 102 Ca 0.07 0.12 -0.33 0.00 -0.27 0.00 0.00 57.70 57.28 1ujt n MET 102 Cb 0.56 -1.67 -0.02 0.00 2.15 0.00 0.00 33.22 34.25 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1ujt s ASP 103 N 3.14 6.12 0.60 6.12 -4.77 -1.26 -4.57 116.67 122.05 1ujt s ASP 103 Ca 1.03 1.86 0.04 0.00 -3.30 0.00 0.00 52.55 52.18 1ujt s ASP 103 Cb -1.38 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 37.98 1ujt s ASP 103 CO 0.77 -0.93 0.83 -0.44 0.70 0.00 0.00 175.17 176.10 1ujt s SER 104 N -2.40 4.95 -0.50 2.11 0.01 -0.91 -4.98 113.70 111.99 1ujt s SER 104 Ca 0.65 -0.41 -0.26 0.00 1.31 0.00 0.00 55.95 57.24 1ujt s SER 104 Cb -0.16 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.77 1ujt s SER 104 CO 0.28 -1.40 2.33 -1.61 0.41 0.00 0.00 173.24 173.25 1ujt s GLU 105 N -4.82 2.19 0.28 12.44 2.02 -1.26 -4.72 118.70 124.83 1ujt s GLU 105 Ca 0.61 1.32 -0.27 0.00 0.02 0.00 0.00 54.97 56.65 1ujt s GLU 105 Cb -0.07 -4.55 -0.15 0.00 0.10 0.00 0.00 34.13 29.45 1ujt s GLU 105 CO 0.40 -3.18 0.72 -1.13 0.02 0.00 0.00 175.26 172.09 1ujt n SER 106 N 15.40 -0.14 -4.16 -0.19 3.41 -1.26 -4.88 113.62 121.80 1ujt n SER 106 Ca 0.34 1.11 -0.32 0.00 -0.26 0.00 0.00 58.87 59.74 1ujt n SER 106 Cb 0.54 -1.12 -0.17 0.00 -0.26 0.00 0.00 64.21 63.21 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 -1.33 2.87 -0.13 4.33 -0.14 0.41 -4.93 119.74 120.81 1ujt s LYS 107 Ca 0.61 -0.80 -0.23 0.00 -1.36 0.00 0.00 55.97 54.19 1ujt s LYS 107 Cb -0.77 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.05 1ujt s LYS 107 CO 0.58 0.01 0.72 0.95 -0.76 0.00 0.00 175.35 176.85 1ujt s THR 108 N 0.76 4.99 -0.24 2.17 -4.23 -1.26 -1.87 115.64 115.96 1ujt s THR 108 Ca -0.09 1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 61.79 1ujt s THR 108 Cb -0.16 -4.04 -0.01 0.00 1.34 0.00 0.00 72.50 69.64 1ujt s THR 108 CO 0.00 0.15 -0.00 0.54 -0.54 0.00 0.00 174.62 174.77 1ujt s VAL 109 N 1.49 3.60 -0.64 2.29 0.11 0.68 -4.86 120.40 123.07 1ujt s VAL 109 Ca 0.35 -0.53 -0.22 0.00 -2.93 0.00 0.00 61.98 58.65 1ujt s VAL 109 Cb -0.17 -2.71 0.07 0.00 -1.53 0.00 0.00 36.38 32.04 1ujt s VAL 109 CO 0.14 0.32 0.94 -0.60 -3.33 0.00 0.00 175.10 172.57 1ujt s ARG 110 N 1.49 3.13 -0.50 1.54 3.52 -1.26 -0.33 118.95 126.55 1ujt s ARG 110 Ca 0.05 -0.79 -0.28 0.00 -0.13 0.00 0.00 55.73 54.58 1ujt s ARG 110 Cb -0.15 -4.21 -0.01 0.00 -1.56 0.00 0.00 34.95 29.03 1ujt s ARG 110 CO -0.01 -1.75 1.67 0.95 -0.81 0.00 0.00 175.30 175.35 1ujt s THR 111 N 3.95 3.57 0.49 4.11 -4.23 -1.07 -4.93 115.64 117.53 1ujt s THR 111 Ca 0.22 0.49 -0.19 0.00 -1.18 0.00 0.00 61.69 61.04 1ujt s THR 111 Cb -0.17 -4.03 -0.15 0.00 1.34 0.00 0.00 72.50 69.50 1ujt s THR 111 CO 0.11 -0.83 -0.02 1.07 -0.54 0.00 0.00 174.62 174.41 1ujt n THR 112 N 7.16 0.31 -0.16 3.99 5.66 -1.26 0.05 114.28 130.03 1ujt n THR 112 Ca 0.18 -0.50 -0.03 0.00 -3.05 0.00 0.00 64.05 60.66 1ujt n THR 112 Cb 0.49 -0.06 0.04 0.00 -1.55 0.00 0.00 70.33 69.26 1ujt n THR 112 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ujt h GLU 113 N 0.09 0.04 -1.69 1.09 4.81 -1.92 -3.11 114.58 113.89 1ujt h GLU 113 Ca -0.41 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.89 1ujt h GLU 113 Cb 1.44 -0.01 -0.25 0.00 0.63 0.00 0.00 28.75 30.57 1ujt h GLU 113 CO 0.43 0.03 0.29 -2.00 -0.73 0.00 0.00 179.01 177.04 1ujt s GLU 114 N -6.20 0.52 -0.36 1.92 2.12 -1.26 -4.33 118.70 111.11 1ujt s GLU 114 Ca -0.14 0.81 0.01 0.00 0.36 0.00 0.00 54.97 56.01 1ujt s GLU 114 Cb 0.16 0.15 0.11 0.00 0.26 0.00 0.00 34.13 34.81 1ujt s GLU 114 CO 0.72 -0.09 0.13 0.45 -0.54 0.00 0.00 175.26 175.92 1ujt s SER 115 N 1.11 4.13 0.00 -1.70 0.15 -1.26 -5.07 113.70 111.05 1ujt s SER 115 Ca -0.06 -2.05 0.00 0.00 0.70 0.00 0.00 55.95 54.54 1ujt s SER 115 Cb -0.04 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1ujt s SER 115 CO -0.13 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1ujt n GLY 116 N 4.34 -2.98 3.55 9.45 0.00 -1.26 -4.66 105.19 113.63 1ujt n GLY 116 Ca 0.02 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1ujt n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujt s PRO 117 N 0.00 2.62 0.58 1.61 0.04 -1.26 -4.98 135.00 133.62 1ujt s PRO 117 Ca 0.00 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1ujt s PRO 117 Cb 0.00 -4.40 0.06 0.00 0.04 0.00 0.00 34.50 30.20 1ujt s PRO 117 CO 0.00 -2.75 0.81 -1.54 0.04 0.00 0.00 177.00 173.56 1ujt s SER 118 N 8.11 5.08 0.53 6.66 1.04 -1.26 -5.04 113.70 128.81 1ujt s SER 118 Ca 0.67 -0.17 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 1ujt s SER 118 Cb -0.12 -0.59 -0.09 0.00 0.10 0.00 0.00 66.02 65.31 1ujt s SER 118 CO 0.20 -1.29 0.61 -0.24 0.98 0.00 0.00 173.24 173.50 1ujt n SER 119 N -2.41 -0.64 0.00 7.02 2.88 -1.26 -5.28 113.62 113.93 1ujt n SER 119 Ca 0.10 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1ujt n SER 119 Cb 0.60 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42