#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujt n SER 2 N 0.00 1.40 -4.65 1.61 2.88 -1.26 -4.82 113.62 108.78 1ujt n SER 2 Ca 0.00 0.72 -0.43 0.00 -1.33 0.00 0.00 58.87 57.83 1ujt n SER 2 Cb 0.00 -1.03 -0.03 0.00 -0.75 0.00 0.00 64.21 62.41 1ujt n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujt s SER 3 N 5.69 6.65 0.00 -3.46 0.01 -1.26 -4.91 113.70 116.43 1ujt s SER 3 Ca 1.13 1.94 0.00 0.00 1.31 0.00 0.00 55.95 60.33 1ujt s SER 3 Cb -1.27 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 62.43 1ujt s SER 3 CO 0.63 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1ujt n GLY 4 N 4.16 1.97 3.57 3.44 0.00 -1.26 -4.98 105.19 112.08 1ujt n GLY 4 Ca 0.17 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1ujt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujt s SER 5 N 1.00 5.97 0.27 1.61 1.04 -1.26 -4.86 113.70 117.47 1ujt s SER 5 Ca 0.00 -1.71 -0.16 0.00 0.48 0.00 0.00 55.95 54.56 1ujt s SER 5 Cb 0.00 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.55 1ujt s SER 5 CO 0.00 -2.05 0.60 -0.44 0.98 0.00 0.00 173.24 172.34 1ujt s SER 6 N 5.67 -0.12 0.00 7.02 0.01 -1.26 -5.06 113.70 119.97 1ujt s SER 6 Ca 0.59 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1ujt s SER 6 Cb -0.00 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1ujt s SER 6 CO 0.04 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.03 1ujt n GLY 7 N -0.43 0.79 0.12 3.44 0.00 -1.26 -5.08 105.19 102.77 1ujt n GLY 7 Ca -0.03 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1ujt n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujt n ARG 8 N 0.00 0.62 -0.16 1.61 1.74 -1.26 -4.20 116.66 115.01 1ujt n ARG 8 Ca 0.00 0.38 0.02 0.00 -0.77 0.00 0.00 57.85 57.48 1ujt n ARG 8 Cb 0.00 -1.64 0.08 0.00 -1.02 0.00 0.00 32.46 29.88 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ujt n GLN 9 N -4.05 1.71 -0.12 5.56 7.27 -1.26 -4.03 117.38 122.46 1ujt n GLN 9 Ca -0.40 -0.66 -0.11 0.00 0.07 0.00 0.00 57.00 55.90 1ujt n GLN 9 Cb 0.85 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.97 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 0.89 1.28 0.00 1.69 3.04 -2.00 0.08 116.25 121.24 1ujt h VAL 10 Ca 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 1ujt h VAL 10 Cb 0.64 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1ujt h VAL 10 CO 0.08 0.39 0.00 0.00 -1.01 0.00 0.00 177.57 177.03 1ujt n GLN 11 N -4.37 0.06 -0.10 4.17 6.02 -1.26 -0.72 117.38 121.18 1ujt n GLN 11 Ca -0.02 0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 57.02 1ujt n GLN 11 Cb 0.36 -1.60 -0.12 0.00 1.02 0.00 0.00 30.24 29.90 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 -1.70 0.65 -0.03 -1.09 0.00 -0.97 -4.48 118.16 110.53 1ujt n LYS 12 Ca 0.03 0.26 -0.15 0.00 0.00 0.00 0.00 58.31 58.46 1ujt n LYS 12 Cb 0.21 -1.59 -0.12 0.00 0.00 0.00 0.00 35.03 33.53 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 -0.36 0.14 -0.07 1.64 4.57 -0.91 -3.08 114.58 116.51 1ujt h GLU 13 Ca -0.54 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 57.49 1ujt h GLU 13 Cb 1.78 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.41 1ujt h GLU 13 CO -0.14 0.91 -0.04 -0.11 -1.18 0.00 0.00 179.01 178.45 1ujt n LEU 14 N -4.53 -0.07 0.15 1.64 7.94 0.10 -0.57 117.00 121.65 1ujt n LEU 14 Ca -0.10 0.67 -0.14 0.00 -1.11 0.00 0.00 56.01 55.33 1ujt n LEU 14 Cb 0.49 -0.29 -0.08 0.00 0.53 0.00 0.00 43.42 44.07 1ujt n LEU 14 CO 0.38 -0.37 0.76 1.23 -1.11 0.00 0.00 177.39 178.28 1ujt h GLY 15 N 0.00 -0.33 -0.61 -3.96 0.00 -1.79 -3.22 103.07 93.16 1ujt h GLY 15 Ca 0.01 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1ujt h GLY 15 CO -0.06 -0.12 -0.36 1.34 0.00 0.00 0.00 176.54 177.34 1ujt n ASP 16 N -5.20 -0.64 -3.34 0.19 -0.08 -0.11 -4.50 116.55 102.87 1ujt n ASP 16 Ca -0.09 1.41 -0.47 0.00 -1.51 0.00 0.00 54.79 54.13 1ujt n ASP 16 Cb 0.17 -0.31 -0.07 0.00 2.34 0.00 0.00 41.12 43.25 1ujt n ASP 16 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ujt n VAL 17 N -4.38 0.00 -3.48 5.18 0.31 0.27 -4.85 118.33 111.37 1ujt n VAL 17 Ca 0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.95 1ujt n VAL 17 Cb 0.16 -0.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.78 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ujt n LEU 18 N 2.41 4.82 -4.75 7.52 0.00 -1.26 -4.80 117.00 120.94 1ujt n LEU 18 Ca 0.20 -5.11 -0.42 0.00 0.00 0.00 0.00 56.01 50.68 1ujt n LEU 18 Cb -0.02 -1.24 -0.02 0.00 0.00 0.00 0.00 43.42 42.15 1ujt n LEU 18 CO 0.59 1.51 1.27 -0.69 0.00 0.00 0.00 177.39 180.07 1ujt s VAL 19 N -1.47 2.03 -0.29 1.96 1.01 -1.26 -4.21 120.40 118.17 1ujt s VAL 19 Ca 0.30 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1ujt s VAL 19 Cb -0.07 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.35 1ujt s VAL 19 CO -0.09 0.00 -0.03 -0.60 0.00 0.00 0.00 175.10 174.38 1ujt s ARG 20 N -0.28 2.46 -0.16 2.72 6.06 0.41 -4.42 118.95 125.74 1ujt s ARG 20 Ca 0.65 -1.24 -0.19 0.00 -2.50 0.00 0.00 55.73 52.45 1ujt s ARG 20 Cb -0.48 -3.10 -0.03 0.00 0.06 0.00 0.00 34.95 31.39 1ujt s ARG 20 CO 0.46 -0.58 0.55 -1.17 -2.50 0.00 0.00 175.30 172.06 1ujt s LEU 21 N 1.24 4.20 0.42 -0.88 2.96 -1.26 -1.34 118.68 124.02 1ujt s LEU 21 Ca -0.05 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.68 1ujt s LEU 21 Cb -0.19 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.70 1ujt s LEU 21 CO -0.02 -0.14 0.63 -1.00 -1.32 0.00 0.00 176.35 174.50 1ujt s HIS 22 N 1.31 3.23 -0.09 5.38 3.76 -1.00 -4.84 115.29 123.05 1ujt s HIS 22 Ca 0.27 0.18 -0.35 0.00 -0.15 0.00 0.00 55.06 55.01 1ujt s HIS 22 Cb -0.16 -2.23 -0.13 0.00 1.11 0.00 0.00 32.58 31.18 1ujt s HIS 22 CO 0.11 -0.27 1.81 -1.71 -0.85 0.00 0.00 174.74 173.84 1ujt n ASN 23 N -1.99 3.19 -4.55 1.40 5.15 -1.26 -4.68 115.26 112.51 1ujt n ASN 23 Ca 0.01 1.01 -0.37 0.00 -0.60 0.00 0.00 54.58 54.62 1ujt n ASN 23 Cb 0.58 -1.33 -0.03 0.00 -0.53 0.00 0.00 39.78 38.46 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ujt s PRO 24 N 3.55 2.61 -0.12 1.20 0.04 -1.26 -4.86 135.00 136.15 1ujt s PRO 24 Ca 0.92 0.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1ujt s PRO 24 Cb -0.76 -4.47 -0.06 0.00 0.04 0.00 0.00 34.50 29.25 1ujt s PRO 24 CO 0.52 -2.81 2.10 0.08 0.04 0.00 0.00 177.00 176.93 1ujt s VAL 25 N 9.22 3.04 -0.81 -0.36 1.01 -1.18 -4.82 120.40 126.50 1ujt s VAL 25 Ca 0.68 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 1ujt s VAL 25 Cb -0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1ujt s VAL 25 CO 0.18 -0.02 1.49 0.54 0.00 0.00 0.00 175.10 177.29 1ujt s VAL 26 N 6.73 3.69 0.01 2.92 0.11 -1.26 -2.28 120.40 130.32 1ujt s VAL 26 Ca 0.95 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.74 1ujt s VAL 26 Cb -0.36 -4.71 -0.18 0.00 -1.53 0.00 0.00 36.38 29.60 1ujt s VAL 26 CO 0.37 -1.64 1.26 -0.07 -3.33 0.00 0.00 175.10 171.69 1ujt h LEU 27 N 13.98 0.26 -7.93 2.54 3.38 -1.91 -3.47 115.31 122.16 1ujt h LEU 27 Ca -0.10 -0.54 -0.10 0.00 0.09 0.00 0.00 57.88 57.22 1ujt h LEU 27 Cb 1.05 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1ujt h LEU 27 CO 1.31 0.75 -0.47 0.42 0.09 0.00 0.00 178.44 180.54 1ujt s THR 28 N -4.05 0.16 -2.00 0.22 -4.23 -0.39 -5.02 115.64 100.34 1ujt s THR 28 Ca -0.15 -1.34 0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1ujt s THR 28 Cb 0.03 -1.35 0.34 0.00 1.34 0.00 0.00 72.50 72.87 1ujt s THR 28 CO 0.73 -0.74 1.14 -0.81 -0.54 0.00 0.00 174.62 174.40 1ujt n PRO 29 N 0.07 0.49 0.00 3.99 -0.04 -1.26 -2.14 135.00 136.10 1ujt n PRO 29 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ujt n PRO 29 Cb 0.62 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -3.77 0.52 -2.24 -1.26 -3.89 114.28 102.76 1ujt n THR 30 Ca 0.09 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1ujt n THR 30 Cb 0.04 0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.05 0.01 0.01 4.28 2.01 -0.91 -2.54 115.64 117.46 1ujt s THR 31 Ca 0.00 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 61.95 1ujt s THR 31 Cb 0.00 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 1ujt s THR 31 CO 0.00 -0.04 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.09 1ujt s VAL 32 N -0.07 0.86 -0.05 3.82 1.01 -1.10 -1.26 120.40 123.60 1ujt s VAL 32 Ca -0.02 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1ujt s VAL 32 Cb -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1ujt s VAL 32 CO 0.01 0.08 0.51 -1.58 0.00 0.00 0.00 175.10 174.12 1ujt s GLN 33 N -0.68 4.26 -0.08 2.72 -0.44 -0.97 -2.90 119.66 121.58 1ujt s GLN 33 Ca 0.02 0.56 0.04 0.00 -2.50 0.00 0.00 55.36 53.47 1ujt s GLN 33 Cb -0.06 -3.36 -0.01 0.00 -1.64 0.00 0.00 33.01 27.94 1ujt s GLN 33 CO 0.00 0.34 -0.21 0.08 0.50 0.00 0.00 175.29 176.00 1ujt s VAL 34 N -0.00 2.44 0.01 1.34 1.01 -0.68 -3.12 120.40 121.40 1ujt s VAL 34 Ca 0.28 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1ujt s VAL 34 Cb -0.17 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1ujt s VAL 34 CO 0.14 0.56 -0.04 -0.89 0.00 0.00 0.00 175.10 174.87 1ujt s THR 35 N -0.09 0.26 0.09 3.92 2.01 -1.26 -2.16 115.64 118.42 1ujt s THR 35 Ca -0.04 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1ujt s THR 35 Cb -0.14 -0.29 0.03 0.00 0.01 0.00 0.00 72.50 72.11 1ujt s THR 35 CO 0.04 -0.14 0.39 -1.66 -0.69 0.00 0.00 174.62 172.56 1ujt s TRP 36 N -0.61 -0.20 -0.00 4.92 -2.14 -0.90 -2.36 118.94 117.64 1ujt s TRP 36 Ca -0.05 -0.02 0.01 0.00 2.66 0.00 0.00 56.10 58.70 1ujt s TRP 36 Cb -0.05 0.22 -0.00 0.00 -3.10 0.00 0.00 33.47 30.54 1ujt s TRP 36 CO -0.00 -0.64 -0.02 -0.08 -2.66 0.00 0.00 176.95 173.55 1ujt s THR 37 N -3.29 0.15 0.02 0.66 -1.32 -0.45 -4.81 115.64 106.59 1ujt s THR 37 Ca -0.00 -0.08 0.06 0.00 -1.21 0.00 0.00 61.69 60.46 1ujt s THR 37 Cb 0.01 -0.13 -0.03 0.00 -1.51 0.00 0.00 72.50 70.83 1ujt s THR 37 CO -0.08 0.04 -0.15 0.68 -2.21 0.00 0.00 174.62 172.90 1ujt s VAL 38 N -0.03 3.02 -0.01 5.08 -7.23 -1.26 -0.44 120.40 119.53 1ujt s VAL 38 Ca 0.01 -1.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.92 1ujt s VAL 38 Cb -0.01 -2.27 -0.16 0.00 0.56 0.00 0.00 36.38 34.50 1ujt s VAL 38 CO -0.00 0.39 1.11 0.44 -0.31 0.00 0.00 175.10 176.73 1ujt h ASP 39 N 4.66 -0.32 -3.25 4.85 5.19 -1.98 -3.38 116.42 122.19 1ujt h ASP 39 Ca -0.48 -0.21 -0.64 0.00 -0.62 0.00 0.00 57.03 55.09 1ujt h ASP 39 Cb 1.16 0.08 -0.41 0.00 0.18 0.00 0.00 39.33 40.34 1ujt h ASP 39 CO 0.49 0.10 -0.50 -0.13 -3.12 0.00 0.00 179.24 176.08 1ujt s ARG 40 N -4.26 2.55 -0.16 3.56 0.52 -1.26 -5.07 118.95 114.83 1ujt s ARG 40 Ca -0.14 -3.28 -0.38 0.00 -0.52 0.00 0.00 55.73 51.42 1ujt s ARG 40 Cb 0.02 -3.50 -0.15 0.00 0.52 0.00 0.00 34.95 31.84 1ujt s ARG 40 CO 0.51 -1.27 1.73 0.94 0.02 0.00 0.00 175.30 177.23 1ujt n GLN 41 N 2.12 1.48 -2.10 3.54 0.00 -1.26 -4.82 117.38 116.34 1ujt n GLN 41 Ca 0.19 0.54 -0.34 0.00 -0.00 0.00 0.00 57.00 57.39 1ujt n GLN 41 Cb 0.35 -2.27 0.02 0.00 0.00 0.00 0.00 30.24 28.34 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 3.21 3.18 -0.22 3.69 0.04 -1.26 -5.00 135.00 138.64 1ujt s PRO 42 Ca 0.94 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 1ujt s PRO 42 Cb -0.94 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 31.44 1ujt s PRO 42 CO 0.58 -0.97 -0.03 1.04 0.04 0.00 0.00 177.00 177.66 1ujt n GLN 43 N -1.65 0.63 -0.33 4.56 1.13 -1.26 -4.38 117.38 116.09 1ujt n GLN 43 Ca 0.11 0.33 0.01 0.00 -1.94 0.00 0.00 57.00 55.51 1ujt n GLN 43 Cb 0.51 -1.61 0.18 0.00 0.11 0.00 0.00 30.24 29.43 1ujt n GLN 43 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1ujt h PHE 44 N -0.60 1.14 -0.87 1.08 -5.15 -2.00 -3.44 116.94 107.09 1ujt h PHE 44 Ca -0.53 0.03 -0.44 0.00 -0.20 0.00 0.00 57.97 56.83 1ujt h PHE 44 Cb 1.66 -0.38 0.09 0.00 0.22 0.00 0.00 35.95 37.54 1ujt h PHE 44 CO 0.02 0.66 -0.48 1.51 -2.00 0.00 0.00 178.31 178.02 1ujt n ILE 45 N -4.44 0.95 -0.11 0.88 3.06 -1.26 -4.89 119.36 113.55 1ujt n ILE 45 Ca 0.12 -0.34 -0.12 0.00 -2.50 0.00 0.00 62.75 59.92 1ujt n ILE 45 Cb 0.09 0.00 -0.15 0.00 0.54 0.00 0.00 39.64 40.12 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 0.77 0.68 0.00 9.51 1.13 -1.21 -4.92 117.38 123.35 1ujt n GLN 46 Ca 0.10 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1ujt n GLN 46 Cb 0.21 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.04 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 1.85 1.55 2.83 1.08 0.00 -1.22 -3.92 105.19 107.36 1ujt n GLY 47 Ca -0.35 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.47 -0.09 -0.31 1.61 2.02 -1.26 -3.88 117.35 113.97 1ujt s TYR 48 Ca 0.00 0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.95 1ujt s TYR 48 Cb 0.00 -0.22 -0.02 0.00 -0.40 0.00 0.00 41.96 41.32 1ujt s TYR 48 CO 0.00 -0.18 0.39 0.50 -1.57 0.00 0.00 175.55 174.70 1ujt s ARG 49 N 1.57 3.79 -0.53 -0.62 6.06 -1.07 -2.55 118.95 125.61 1ujt s ARG 49 Ca -0.04 -0.15 -0.16 0.00 -2.50 0.00 0.00 55.73 52.88 1ujt s ARG 49 Cb -0.12 -3.73 0.12 0.00 0.06 0.00 0.00 34.95 31.28 1ujt s ARG 49 CO -0.05 -0.43 0.49 0.08 -2.50 0.00 0.00 175.30 172.89 1ujt s VAL 50 N 2.11 5.21 0.48 7.11 1.01 -1.12 -2.48 120.40 132.71 1ujt s VAL 50 Ca 0.14 -1.44 -0.18 0.00 0.00 0.00 0.00 61.98 60.50 1ujt s VAL 50 Cb -0.16 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 1ujt s VAL 50 CO 0.11 -0.83 0.97 -0.04 0.00 0.00 0.00 175.10 175.31 1ujt s MET 51 N 1.61 4.07 -0.13 2.72 -1.94 -1.11 -0.98 119.30 123.53 1ujt s MET 51 Ca 0.03 1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 54.73 1ujt s MET 51 Cb -0.29 -2.16 0.11 0.00 2.01 0.00 0.00 34.83 34.50 1ujt s MET 51 CO 0.04 -0.17 0.90 1.52 -0.01 0.00 0.00 175.02 177.30 1ujt s TYR 52 N -2.43 -0.46 0.17 -0.03 1.13 -1.18 -3.12 117.35 111.43 1ujt s TYR 52 Ca 0.60 0.81 -0.23 0.00 -1.41 0.00 0.00 57.07 56.84 1ujt s TYR 52 Cb -0.10 0.43 0.07 0.00 -1.10 0.00 0.00 41.96 41.27 1ujt s TYR 52 CO 0.24 -0.41 1.02 -0.98 -2.51 0.00 0.00 175.55 172.90 1ujt s ARG 53 N -1.06 1.26 -0.02 -3.49 1.70 -1.19 -0.96 118.95 115.19 1ujt s ARG 53 Ca -0.04 -0.77 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 1ujt s ARG 53 Cb -0.01 0.37 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 1ujt s ARG 53 CO 0.04 -0.58 0.42 -1.14 -1.08 0.00 0.00 175.30 172.96 1ujt s GLN 54 N -2.51 4.00 -0.15 3.89 0.74 -1.26 -2.98 119.66 121.40 1ujt s GLN 54 Ca 0.19 0.43 -0.25 0.00 0.05 0.00 0.00 55.36 55.78 1ujt s GLN 54 Cb -0.02 -3.26 -0.25 0.00 1.10 0.00 0.00 33.01 30.59 1ujt s GLN 54 CO 0.04 0.60 0.61 1.79 -0.55 0.00 0.00 175.29 177.78 1ujt h THR 55 N 3.86 1.44 -3.69 -0.34 1.35 -1.77 -2.55 112.91 111.20 1ujt h THR 55 Ca -0.50 -2.33 -0.58 0.00 -0.55 0.00 0.00 66.41 62.45 1ujt h THR 55 Cb 1.21 2.98 -0.20 0.00 -1.73 0.00 0.00 68.15 70.41 1ujt h THR 55 CO 0.64 0.55 -0.82 -0.55 -0.25 0.00 0.00 175.52 175.08 1ujt s SER 56 N -6.56 2.81 0.00 5.36 0.15 -1.26 -4.32 113.70 109.87 1ujt s SER 56 Ca -0.21 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1ujt s SER 56 Cb 0.01 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1ujt s SER 56 CO 0.69 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.80 1ujt n GLY 57 N 0.77 -0.31 0.27 9.45 0.00 -1.26 -4.41 105.19 109.70 1ujt n GLY 57 Ca -0.17 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.55 0.00 0.99 7.12 -1.99 -2.85 115.31 118.02 1ujt h LEU 58 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1ujt h LEU 58 Cb 0.00 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1ujt h LEU 58 CO 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 178.44 178.00 1ujt n GLN 59 N -4.25 0.00 -1.76 1.25 1.13 -1.26 -4.61 117.38 107.89 1ujt n GLN 59 Ca -0.08 0.43 -0.41 0.00 -1.94 0.00 0.00 57.00 55.00 1ujt n GLN 59 Cb 0.26 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.10 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujt n ALA 60 N -1.46 2.29 -3.95 -1.58 0.00 -1.08 -2.12 120.51 112.60 1ujt n ALA 60 Ca 0.01 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 1ujt n ALA 60 Cb 0.02 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 1ujt n ALA 60 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ujt n THR 61 N 0.68 -0.04 -0.12 0.00 5.66 -0.96 -4.78 114.28 114.73 1ujt n THR 61 Ca 0.03 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.80 1ujt n THR 61 Cb 0.38 -0.41 -0.08 0.00 -1.55 0.00 0.00 70.33 68.67 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 -2.19 1.95 -3.55 1.09 2.88 -0.90 -5.03 113.62 107.86 1ujt n SER 62 Ca 0.08 0.35 -0.01 0.00 -1.33 0.00 0.00 58.87 57.96 1ujt n SER 62 Cb 0.47 -0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 63.08 1ujt n SER 62 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujt s SER 63 N -6.94 -0.83 0.49 -3.46 1.04 -1.26 -5.15 113.70 97.58 1ujt s SER 63 Ca -0.35 1.18 -0.22 0.00 0.48 0.00 0.00 55.95 57.04 1ujt s SER 63 Cb 0.11 1.85 -0.07 0.00 0.10 0.00 0.00 66.02 68.01 1ujt s SER 63 CO 0.47 -0.17 1.16 0.26 0.98 0.00 0.00 173.24 175.94 1ujt s TRP 64 N 2.44 2.80 0.56 5.02 0.52 -1.26 -4.87 118.94 124.15 1ujt s TRP 64 Ca -0.05 1.54 0.06 0.00 0.02 0.00 0.00 56.10 57.66 1ujt s TRP 64 Cb -0.08 -3.35 0.05 0.00 -1.15 0.00 0.00 33.47 28.94 1ujt s TRP 64 CO -0.18 -1.54 0.46 -0.65 0.02 0.00 0.00 176.95 175.05 1ujt s GLN 65 N -2.89 2.24 -0.25 4.98 -0.21 -0.14 -4.97 119.66 118.41 1ujt s GLN 65 Ca 0.67 -2.01 -0.18 0.00 0.02 0.00 0.00 55.36 53.86 1ujt s GLN 65 Cb -0.27 -2.14 0.07 0.00 1.00 0.00 0.00 33.01 31.67 1ujt s GLN 65 CO 0.32 -0.69 0.64 0.54 -2.12 0.00 0.00 175.29 173.99 1ujt s ASN 66 N -4.35 -0.80 -0.48 5.90 2.20 -1.26 -3.09 114.94 113.07 1ujt s ASN 66 Ca 0.36 1.37 -0.01 0.00 -0.94 0.00 0.00 52.86 53.64 1ujt s ASN 66 Cb -0.03 1.30 0.13 0.00 -2.00 0.00 0.00 41.25 40.64 1ujt s ASN 66 CO 0.23 -0.23 0.25 -0.22 -2.94 0.00 0.00 177.10 174.19 1ujt s LEU 67 N 1.15 5.04 -0.40 3.54 2.96 -0.15 -4.93 118.68 125.88 1ujt s LEU 67 Ca -0.06 -2.43 -0.28 0.00 -0.22 0.00 0.00 54.13 51.14 1ujt s LEU 67 Cb -0.05 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1ujt s LEU 67 CO -0.12 -0.42 1.94 1.51 -1.32 0.00 0.00 176.35 177.94 1ujt s ASP 68 N 1.04 5.53 0.10 3.68 -4.77 -1.26 -2.80 116.67 118.19 1ujt s ASP 68 Ca 0.12 1.13 -0.19 0.00 -3.30 0.00 0.00 52.55 50.32 1ujt s ASP 68 Cb -0.22 -2.52 -0.06 0.00 -1.09 0.00 0.00 42.92 39.03 1ujt s ASP 68 CO -0.04 -2.03 1.65 0.00 0.70 0.00 0.00 175.17 175.45 1ujt h ALA 69 N 14.39 0.33 -1.85 2.11 0.00 -1.90 -3.47 119.26 128.86 1ujt h ALA 69 Ca -0.32 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 1ujt h ALA 69 Cb 1.19 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ujt h ALA 69 CO 1.08 -0.08 -0.28 1.63 0.00 0.00 0.00 179.25 181.60 1ujt n LYS 70 N -4.78 -1.45 -3.20 0.00 5.02 -1.26 -5.00 118.16 107.49 1ujt n LYS 70 Ca -0.03 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1ujt n LYS 70 Cb 0.13 -4.48 -0.02 0.00 -0.02 0.00 0.00 35.03 30.63 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ujt s VAL 71 N -2.64 -0.89 -2.00 -0.18 1.01 -1.26 -5.00 120.40 109.43 1ujt s VAL 71 Ca 0.06 -0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.10 1ujt s VAL 71 Cb -0.03 -0.97 0.30 0.00 0.00 0.00 0.00 36.38 35.69 1ujt s VAL 71 CO 0.07 -0.05 1.08 -0.81 0.00 0.00 0.00 175.10 175.38 1ujt n PRO 72 N 5.41 0.49 0.00 2.72 -0.04 -1.25 -1.77 135.00 140.55 1ujt n PRO 72 Ca 0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1ujt n PRO 72 Cb 0.52 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.84 0.00 -3.86 0.52 -2.24 -1.26 -4.95 114.28 101.65 1ujt n THR 73 Ca 0.08 -0.42 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 1ujt n THR 73 Cb 0.04 1.17 -0.11 0.00 -2.10 0.00 0.00 70.33 69.33 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 -1.34 3.87 -0.27 -0.78 0.41 -0.73 -4.97 118.70 114.88 1ujt s GLU 74 Ca 0.11 -0.38 0.11 0.00 -0.41 0.00 0.00 54.97 54.40 1ujt s GLU 74 Cb 0.09 -3.32 0.54 0.00 -1.78 0.00 0.00 34.13 29.67 1ujt s GLU 74 CO 0.25 0.05 1.51 0.54 -0.49 0.00 0.00 175.26 177.11 1ujt n ARG 75 N 4.24 2.34 -3.86 1.61 5.12 -1.26 -4.90 116.66 119.94 1ujt n ARG 75 Ca -0.16 -3.05 -0.09 0.00 -1.93 0.00 0.00 57.85 52.62 1ujt n ARG 75 Cb 0.52 -1.88 -0.07 0.00 -1.16 0.00 0.00 32.46 29.87 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ujt s SER 76 N -2.15 0.09 0.03 0.55 1.04 -1.26 -2.12 113.70 109.88 1ujt s SER 76 Ca 0.45 -0.67 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 1ujt s SER 76 Cb 0.39 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.92 1ujt s SER 76 CO 0.05 -0.76 0.46 0.00 0.98 0.00 0.00 173.24 173.96 1ujt s ALA 77 N -3.88 -1.16 -0.24 5.32 0.00 -0.92 -5.00 121.76 115.88 1ujt s ALA 77 Ca 0.07 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1ujt s ALA 77 Cb 0.04 0.30 0.04 0.00 0.00 0.00 0.00 23.12 23.51 1ujt s ALA 77 CO -0.09 -0.45 -0.12 0.08 0.00 0.00 0.00 175.76 175.18 1ujt s VAL 78 N -2.24 2.33 -0.35 0.00 1.01 -1.26 -1.69 120.40 118.20 1ujt s VAL 78 Ca -0.07 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 60.44 1ujt s VAL 78 Cb -0.01 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1ujt s VAL 78 CO -0.00 0.17 0.50 -0.76 0.00 0.00 0.00 175.10 175.01 1ujt s LEU 79 N 1.21 4.38 0.50 3.92 1.43 -1.14 -4.98 118.68 124.00 1ujt s LEU 79 Ca -0.03 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1ujt s LEU 79 Cb -0.17 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.53 1ujt s LEU 79 CO -0.07 -0.47 0.57 0.68 0.23 0.00 0.00 176.35 177.28 1ujt s VAL 80 N 2.35 2.30 -1.12 -1.59 -7.23 -1.26 -2.73 120.40 111.12 1ujt s VAL 80 Ca 0.18 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 1ujt s VAL 80 Cb -0.16 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1ujt s VAL 80 CO 0.13 0.00 0.95 0.59 -0.31 0.00 0.00 175.10 176.46 1ujt n ASN 81 N -1.90 -4.08 -4.67 4.85 5.03 -1.07 -4.97 115.26 108.45 1ujt n ASN 81 Ca 0.08 -0.65 -0.30 0.00 0.87 0.00 0.00 54.58 54.57 1ujt n ASN 81 Cb 0.62 -5.10 -0.08 0.00 -1.02 0.00 0.00 39.78 34.20 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 -5.87 3.40 0.57 3.41 1.43 -1.05 -5.07 118.68 115.50 1ujt s LEU 82 Ca 0.20 -0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 1ujt s LEU 82 Cb -0.03 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ujt s LEU 82 CO 0.72 0.19 1.11 -0.75 0.23 0.00 0.00 176.35 177.85 1ujt s LYS 83 N -2.20 3.24 -0.17 1.70 2.36 -1.26 -4.43 119.74 118.97 1ujt s LYS 83 Ca 0.24 1.50 -0.10 0.00 -2.55 0.00 0.00 55.97 55.06 1ujt s LYS 83 Cb -0.12 -2.00 -0.05 0.00 -1.05 0.00 0.00 37.83 34.62 1ujt s LYS 83 CO 0.17 -0.92 0.17 0.15 1.55 0.00 0.00 175.35 176.47 1ujt s LYS 84 N -3.57 4.04 -0.01 4.03 3.01 -1.25 -4.53 119.74 121.46 1ujt s LYS 84 Ca 0.70 -0.13 -0.00 0.00 -1.01 0.00 0.00 55.97 55.53 1ujt s LYS 84 Cb -0.22 -3.37 -0.00 0.00 -1.01 0.00 0.00 37.83 33.24 1ujt s LYS 84 CO 0.31 0.40 0.01 0.41 0.51 0.00 0.00 175.35 176.99 1ujt n GLY 85 N 3.13 0.69 3.59 -3.33 0.00 0.21 -4.90 105.19 104.56 1ujt n GLY 85 Ca -0.16 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 0.33 1.61 0.11 -1.11 -4.98 120.40 113.35 1ujt s VAL 86 Ca 0.00 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.83 1ujt s VAL 86 Cb -0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1ujt s VAL 86 CO 0.01 0.00 0.88 -0.89 -3.33 0.00 0.00 175.10 171.77 1ujt s THR 87 N -1.21 4.37 -0.08 5.04 2.01 -1.26 -1.83 115.64 122.68 1ujt s THR 87 Ca 0.01 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.57 1ujt s THR 87 Cb -0.01 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1ujt s THR 87 CO -0.01 0.01 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.54 1ujt s TYR 88 N -1.77 1.34 -0.21 4.92 1.51 -0.48 -2.09 117.35 120.57 1ujt s TYR 88 Ca 0.52 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.88 1ujt s TYR 88 Cb -0.15 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1ujt s TYR 88 CO 0.20 -0.36 0.35 -2.00 -1.11 0.00 0.00 175.55 172.64 1ujt s GLU 89 N 1.14 4.15 0.02 -0.62 2.12 -1.16 -0.36 118.70 123.98 1ujt s GLU 89 Ca -0.06 0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1ujt s GLU 89 Cb -0.14 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1ujt s GLU 89 CO -0.02 -0.03 -0.12 0.42 -0.54 0.00 0.00 175.26 174.97 1ujt s ILE 90 N 1.29 0.97 -0.13 -3.70 1.09 -0.51 -3.16 121.20 117.05 1ujt s ILE 90 Ca 0.17 -0.80 -0.12 0.00 -1.10 0.00 0.00 60.65 58.80 1ujt s ILE 90 Cb -0.15 -0.86 0.03 0.00 -1.06 0.00 0.00 42.46 40.42 1ujt s ILE 90 CO 0.07 0.07 0.34 -1.59 -0.10 0.00 0.00 174.94 173.73 1ujt s LYS 91 N -0.83 0.40 0.21 2.79 0.00 -1.18 -1.28 119.74 119.85 1ujt s LYS 91 Ca 0.02 0.46 -0.15 0.00 0.00 0.00 0.00 55.97 56.29 1ujt s LYS 91 Cb -0.07 0.19 -0.08 0.00 0.00 0.00 0.00 37.83 37.88 1ujt s LYS 91 CO 0.01 -0.05 0.63 0.08 0.00 0.00 0.00 175.35 176.02 1ujt s VAL 92 N 0.16 4.75 -0.22 1.79 1.01 -1.26 -2.75 120.40 123.87 1ujt s VAL 92 Ca -0.00 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1ujt s VAL 92 Cb -0.02 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 32.73 1ujt s VAL 92 CO 0.01 0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.45 1ujt s ARG 93 N -2.29 0.22 -0.60 2.72 1.70 -1.04 -1.54 118.95 118.13 1ujt s ARG 93 Ca 0.44 0.15 -0.27 0.00 -0.47 0.00 0.00 55.73 55.58 1ujt s ARG 93 Cb -0.14 -1.06 -0.02 0.00 -0.57 0.00 0.00 34.95 33.15 1ujt s ARG 93 CO 0.20 -0.73 1.86 -1.25 -1.08 0.00 0.00 175.30 174.30 1ujt s PRO 94 N 2.34 2.65 -0.01 3.89 0.04 -1.26 -2.59 135.00 140.05 1ujt s PRO 94 Ca 0.08 0.64 -0.00 0.00 0.04 0.00 0.00 61.00 61.75 1ujt s PRO 94 Cb -0.15 -4.38 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 1ujt s PRO 94 CO -0.17 -2.71 0.05 1.52 0.04 0.00 0.00 177.00 175.74 1ujt s TYR 95 N 9.01 3.22 0.00 0.56 -0.85 -1.25 -1.06 117.35 126.99 1ujt s TYR 95 Ca 0.68 0.18 0.00 0.00 -0.52 0.00 0.00 57.07 57.40 1ujt s TYR 95 Cb -0.13 -1.73 0.00 0.00 0.38 0.00 0.00 41.96 40.48 1ujt s TYR 95 CO 0.21 0.52 0.00 0.34 -1.52 0.00 0.00 175.55 175.11 1ujt n PHE 96 N 1.35 0.00 -0.03 -3.49 7.35 -1.19 -3.28 117.46 118.17 1ujt n PHE 96 Ca -0.14 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.50 1ujt n PHE 96 Cb 0.53 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.32 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 -1.92 1.57 0.00 -2.13 3.02 -1.26 -4.11 115.26 110.43 1ujt n ASN 97 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1ujt n ASN 97 Cb 0.00 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 -4.02 0.87 -1.61 3.52 0.00 -1.26 -5.09 120.64 113.05 1ujt n GLU 98 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.77 1ujt n GLU 98 Cb 0.29 -0.66 0.06 0.00 0.00 0.00 0.00 31.44 31.13 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1ujt s PHE 99 N -1.32 3.11 0.02 -1.84 -0.71 -1.26 -5.08 117.98 110.90 1ujt s PHE 99 Ca 0.00 1.33 0.06 0.00 -1.04 0.00 0.00 56.93 57.28 1ujt s PHE 99 Cb 0.00 -2.93 -0.02 0.00 -1.21 0.00 0.00 43.02 38.86 1ujt s PHE 99 CO 0.00 -1.30 -0.17 1.14 -1.34 0.00 0.00 175.22 173.55 1ujt s GLN 100 N -5.10 1.24 0.61 1.99 1.03 -1.26 -3.17 119.66 115.00 1ujt s GLN 100 Ca 0.58 -0.73 -0.10 0.00 0.04 0.00 0.00 55.36 55.15 1ujt s GLN 100 Cb -0.14 -1.25 -0.03 0.00 0.03 0.00 0.00 33.01 31.62 1ujt s GLN 100 CO 0.55 0.33 0.99 0.20 -2.54 0.00 0.00 175.29 174.82 1ujt s GLY 101 N -0.81 1.63 -0.19 2.60 0.00 -0.22 -4.92 107.32 105.40 1ujt s GLY 101 Ca 0.05 -0.22 -0.35 0.00 0.00 0.00 0.00 44.72 44.20 1ujt s GLY 101 CO 0.01 0.05 1.08 1.03 0.00 0.00 0.00 173.10 175.26 1ujt n MET 102 N -2.70 0.00 -2.08 2.90 0.00 -1.26 -4.36 117.12 109.63 1ujt n MET 102 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.33 1ujt n MET 102 Cb 0.55 -1.23 -0.03 0.00 0.00 0.00 0.00 33.22 32.51 1ujt n MET 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ujt s ASP 103 N 1.13 6.72 1.14 7.83 1.11 -1.26 -4.70 116.67 128.64 1ujt s ASP 103 Ca 0.80 2.26 -0.13 0.00 0.18 0.00 0.00 52.55 55.66 1ujt s ASP 103 Cb -1.13 -2.55 0.25 0.00 1.07 0.00 0.00 42.92 40.56 1ujt s ASP 103 CO 0.56 -0.83 0.89 -0.24 1.18 0.00 0.00 175.17 176.73 1ujt n SER 104 N 5.88 -1.64 -4.55 0.27 2.88 -0.59 -4.76 113.62 111.10 1ujt n SER 104 Ca 0.15 -0.10 -0.36 0.00 -1.33 0.00 0.00 58.87 57.24 1ujt n SER 104 Cb 0.42 -1.24 -0.04 0.00 -0.75 0.00 0.00 64.21 62.60 1ujt n SER 104 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ujt n GLU 105 N -4.48 0.97 -1.61 -1.46 1.02 -1.26 -4.66 120.64 109.16 1ujt n GLU 105 Ca 0.04 -0.04 -0.45 0.00 -0.02 0.00 0.00 57.16 56.69 1ujt n GLU 105 Cb 0.55 -3.36 -0.02 0.00 -0.02 0.00 0.00 31.44 28.59 1ujt n GLU 105 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ujt n SER 106 N 15.79 1.67 -4.28 1.62 3.41 -1.26 -4.58 113.62 126.00 1ujt n SER 106 Ca 0.39 1.17 -0.28 0.00 -0.26 0.00 0.00 58.87 59.89 1ujt n SER 106 Cb 0.52 -1.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.00 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 -1.21 1.65 -0.18 4.33 -0.14 -0.40 -4.94 119.74 118.85 1ujt s LYS 107 Ca 0.62 -0.94 -0.09 0.00 -1.36 0.00 0.00 55.97 54.20 1ujt s LYS 107 Cb -0.71 -1.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.67 1ujt s LYS 107 CO 0.57 0.45 0.11 0.95 -0.76 0.00 0.00 175.35 176.68 1ujt s THR 108 N -0.71 5.27 -0.28 2.17 -4.23 -1.26 -1.43 115.64 115.18 1ujt s THR 108 Ca 0.09 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 1ujt s THR 108 Cb -0.09 -3.37 0.06 0.00 1.34 0.00 0.00 72.50 70.44 1ujt s THR 108 CO 0.01 0.49 -0.05 0.54 -0.54 0.00 0.00 174.62 175.06 1ujt s VAL 109 N 0.01 2.51 -0.39 2.29 0.11 0.51 -4.81 120.40 120.64 1ujt s VAL 109 Ca 0.09 -1.58 -0.29 0.00 -2.93 0.00 0.00 61.98 57.27 1ujt s VAL 109 Cb -0.11 -2.49 0.02 0.00 -1.53 0.00 0.00 36.38 32.27 1ujt s VAL 109 CO -0.00 -0.10 1.16 -0.60 -3.33 0.00 0.00 175.10 172.23 1ujt s ARG 110 N 1.15 3.87 -0.57 1.54 3.52 -1.26 -1.38 118.95 125.82 1ujt s ARG 110 Ca -0.06 0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 56.18 1ujt s ARG 110 Cb -0.20 -3.85 0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1ujt s ARG 110 CO -0.04 -1.18 0.93 0.95 -0.81 0.00 0.00 175.30 175.15 1ujt s THR 111 N 4.22 4.40 1.00 4.11 -4.23 -0.76 -4.94 115.64 119.44 1ujt s THR 111 Ca 0.49 0.15 -0.20 0.00 -1.18 0.00 0.00 61.69 60.96 1ujt s THR 111 Cb -0.11 -4.55 -0.13 0.00 1.34 0.00 0.00 72.50 69.05 1ujt s THR 111 CO 0.24 -1.15 -0.83 1.07 -0.54 0.00 0.00 174.62 173.41 1ujt n THR 112 N 6.13 0.00 -0.09 3.99 5.66 -1.26 -0.62 114.28 128.09 1ujt n THR 112 Ca 0.01 -0.32 -0.09 0.00 -3.05 0.00 0.00 64.05 60.60 1ujt n THR 112 Cb 0.47 -0.11 -0.03 0.00 -1.55 0.00 0.00 70.33 69.11 1ujt n THR 112 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ujt n GLU 113 N 1.74 0.51 -3.14 1.09 2.13 -1.26 -2.30 120.64 119.41 1ujt n GLU 113 Ca -0.01 0.20 -0.40 0.00 0.66 0.00 0.00 57.16 57.62 1ujt n GLU 113 Cb 0.62 -1.39 -0.06 0.00 0.27 0.00 0.00 31.44 30.88 1ujt n GLU 113 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ujt s GLU 114 N -2.84 4.29 -0.53 5.31 2.12 -1.26 -4.80 118.70 121.00 1ujt s GLU 114 Ca -0.28 0.65 -0.26 0.00 0.36 0.00 0.00 54.97 55.44 1ujt s GLU 114 Cb 0.04 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.85 1ujt s GLU 114 CO 0.41 -0.09 2.28 0.45 -0.54 0.00 0.00 175.26 177.78 1ujt s SER 115 N 0.98 4.61 0.00 -1.70 0.15 -1.26 -4.38 113.70 112.11 1ujt s SER 115 Ca 0.30 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1ujt s SER 115 Cb -0.16 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1ujt s SER 115 CO 0.12 -2.79 0.00 0.61 1.20 0.00 0.00 173.24 172.38 1ujt n GLY 116 N 5.95 -0.98 3.55 9.45 0.00 -1.26 -5.07 105.19 116.84 1ujt n GLY 116 Ca 0.33 0.30 -0.38 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.57 1.61 0.04 -1.26 -3.58 135.00 132.86 1ujt s PRO 117 Ca 0.00 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 1ujt s PRO 117 Cb 0.00 -4.39 0.09 0.00 0.04 0.00 0.00 34.50 30.24 1ujt s PRO 117 CO 0.00 -2.74 0.69 0.43 0.04 0.00 0.00 177.00 175.43 1ujt n SER 118 N 12.77 -2.49 -3.58 6.66 7.64 -1.26 -4.94 113.62 128.41 1ujt n SER 118 Ca 0.20 -0.97 -0.16 0.00 1.01 0.00 0.00 58.87 58.95 1ujt n SER 118 Cb 0.52 -3.06 -0.07 0.00 -1.01 0.00 0.00 64.21 60.60 1ujt n SER 118 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujt s SER 119 N -3.68 -0.52 0.00 6.43 0.15 -1.24 -5.33 113.70 109.52 1ujt s SER 119 Ca 0.47 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1ujt s SER 119 Cb -0.25 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1ujt s SER 119 CO 0.90 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.36