#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 7.00 -1.28 1.61 0.01 -1.26 -2.97 113.70 116.81 1ujt s SER 2 Ca 0.00 2.40 -0.09 0.00 1.31 0.00 0.00 55.95 59.57 1ujt s SER 2 Cb 0.00 -2.62 0.09 0.00 0.21 0.00 0.00 66.02 63.70 1ujt s SER 2 CO 0.00 -0.40 0.23 -0.24 0.41 0.00 0.00 173.24 173.24 1ujt n SER 3 N 1.77 -0.34 0.00 2.44 2.88 -1.26 -4.57 113.62 114.54 1ujt n SER 3 Ca 0.02 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.62 1ujt n SER 3 Cb 0.43 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1ujt n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujt n GLY 4 N -1.54 0.08 0.34 0.46 0.00 -1.22 -4.96 105.19 98.35 1ujt n GLY 4 Ca -0.08 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1ujt n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ujt h SER 5 N 0.00 -0.79 -6.56 1.61 0.87 -1.78 -3.46 113.55 103.44 1ujt h SER 5 Ca 0.00 0.04 -0.52 0.00 -1.23 0.00 0.00 61.79 60.08 1ujt h SER 5 Cb 0.00 0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 62.05 1ujt h SER 5 CO 0.00 -0.50 -0.80 -1.54 -0.53 0.00 0.00 176.83 173.46 1ujt n SER 6 N -4.34 -4.00 -2.43 6.23 3.41 -1.26 -4.87 113.62 106.36 1ujt n SER 6 Ca -0.10 -0.91 -0.16 0.00 -0.26 0.00 0.00 58.87 57.44 1ujt n SER 6 Cb 0.33 -3.23 0.03 0.00 -0.26 0.00 0.00 64.21 61.08 1ujt n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujt n GLY 7 N -1.51 4.34 0.08 5.00 0.00 -1.26 -4.84 105.19 107.00 1ujt n GLY 7 Ca 0.07 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 1ujt n GLY 7 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujt h ARG 8 N 2.51 0.00 -0.21 1.61 2.47 -2.03 -3.33 114.38 115.40 1ujt h ARG 8 Ca 0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 1ujt h ARG 8 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 1ujt h ARG 8 CO 0.59 0.80 0.00 0.94 0.56 0.00 0.00 179.97 182.86 1ujt n GLN 9 N -4.57 1.00 -0.11 0.04 7.27 -1.26 -3.73 117.38 116.01 1ujt n GLN 9 Ca -0.16 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.78 1ujt n GLN 9 Cb 0.47 -1.10 -0.03 0.00 2.41 0.00 0.00 30.24 31.99 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 0.00 1.28 -0.15 1.69 3.04 -1.91 0.23 116.25 120.44 1ujt h VAL 10 Ca 0.00 -1.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1ujt h VAL 10 Cb 0.10 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.83 1ujt h VAL 10 CO 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 177.57 177.06 1ujt n GLN 11 N -4.15 1.42 -0.02 4.17 6.02 -1.24 -1.97 117.38 121.61 1ujt n GLN 11 Ca -0.03 -0.64 -0.03 0.00 -0.01 0.00 0.00 57.00 56.29 1ujt n GLN 11 Cb 0.51 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.05 0.09 -0.01 -1.09 4.81 -1.05 -4.79 118.16 116.07 1ujt n LYS 12 Ca 0.10 0.03 -0.21 0.00 -0.87 0.00 0.00 58.31 57.36 1ujt n LYS 12 Cb 0.18 -0.90 -0.14 0.00 0.02 0.00 0.00 35.03 34.19 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ujt h GLU 13 N -0.06 0.20 -0.55 1.64 4.81 -0.66 -3.22 114.58 116.74 1ujt h GLU 13 Ca -0.09 -0.35 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 1ujt h GLU 13 Cb 1.11 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 1ujt h GLU 13 CO -0.03 1.17 -0.32 -0.11 -0.73 0.00 0.00 179.01 178.98 1ujt n LEU 14 N -4.02 -0.58 0.06 1.64 7.94 -0.83 -0.14 117.00 121.07 1ujt n LEU 14 Ca -0.25 1.11 -0.13 0.00 -1.11 0.00 0.00 56.01 55.64 1ujt n LEU 14 Cb 0.85 -0.19 -0.09 0.00 0.53 0.00 0.00 43.42 44.52 1ujt n LEU 14 CO 0.38 -0.86 0.58 1.23 -1.11 0.00 0.00 177.39 177.61 1ujt h GLY 15 N 0.00 -0.18 -0.88 -3.96 0.00 -1.78 -3.30 103.07 92.97 1ujt h GLY 15 Ca 0.09 0.07 0.11 0.00 0.00 0.00 0.00 47.33 47.59 1ujt h GLY 15 CO -0.52 -0.06 -0.50 -0.55 0.00 0.00 0.00 176.54 174.91 1ujt h ASP 16 N -0.61 -1.80 -0.69 0.19 3.32 -1.11 -3.42 116.42 112.31 1ujt h ASP 16 Ca -0.02 0.31 -0.59 0.00 0.02 0.00 0.00 57.03 56.75 1ujt h ASP 16 Cb 0.47 0.84 0.01 0.00 0.22 0.00 0.00 39.33 40.87 1ujt h ASP 16 CO 0.03 -0.28 0.39 0.52 -1.72 0.00 0.00 179.24 178.18 1ujt n VAL 17 N -5.36 0.00 -3.09 -1.35 0.31 0.81 -4.83 118.33 104.82 1ujt n VAL 17 Ca 0.04 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.93 1ujt n VAL 17 Cb 0.33 -0.28 -0.04 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.67 5.45 -0.39 7.52 1.98 -1.26 -4.89 118.68 128.75 1ujt s LEU 18 Ca 0.70 -1.66 -0.28 0.00 -2.89 0.00 0.00 54.13 50.00 1ujt s LEU 18 Cb -1.00 -2.31 -0.02 0.00 0.66 0.00 0.00 46.19 43.52 1ujt s LEU 18 CO 0.53 -1.06 1.77 -0.69 -1.89 0.00 0.00 176.35 175.01 1ujt s VAL 19 N 2.46 3.50 -0.97 1.68 1.01 -1.26 -4.11 120.40 122.71 1ujt s VAL 19 Ca 0.16 0.48 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1ujt s VAL 19 Cb -0.19 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.52 1ujt s VAL 19 CO 0.02 -0.54 1.30 -0.60 0.00 0.00 0.00 175.10 175.28 1ujt s ARG 20 N 5.84 3.57 -1.14 2.72 6.06 0.11 -4.77 118.95 131.35 1ujt s ARG 20 Ca 0.76 -1.36 -0.13 0.00 -2.50 0.00 0.00 55.73 52.50 1ujt s ARG 20 Cb -0.20 -5.12 0.19 0.00 0.06 0.00 0.00 34.95 29.89 1ujt s ARG 20 CO 0.31 -2.02 1.30 -1.17 -2.50 0.00 0.00 175.30 171.22 1ujt s LEU 21 N 4.02 5.39 0.00 -0.88 0.20 -1.26 -1.58 118.68 124.57 1ujt s LEU 21 Ca 0.40 -2.99 0.00 0.00 0.69 0.00 0.00 54.13 52.23 1ujt s LEU 21 Cb -0.03 -2.35 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1ujt s LEU 21 CO -0.09 -0.68 0.86 1.41 -0.29 0.00 0.00 176.35 177.56 1ujt n HIS 22 N 5.08 0.00 -3.64 5.38 8.25 -1.25 -4.90 115.22 124.13 1ujt n HIS 22 Ca 0.31 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.73 1ujt n HIS 22 Cb 0.43 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.64 -0.14 -1.18 0.41 2.47 -1.26 -5.08 114.94 107.53 1ujt s ASN 23 Ca 0.00 0.25 -0.23 0.00 0.42 0.00 0.00 52.86 53.30 1ujt s ASN 23 Cb 0.00 0.25 -0.09 0.00 -1.45 0.00 0.00 41.25 39.96 1ujt s ASN 23 CO 0.00 -0.06 1.94 -2.16 -3.72 0.00 0.00 177.10 173.10 1ujt s PRO 24 N -0.09 2.48 -0.42 0.43 0.04 -1.26 -4.31 135.00 131.87 1ujt s PRO 24 Ca 0.06 -1.15 -0.38 0.00 0.04 0.00 0.00 61.00 59.57 1ujt s PRO 24 Cb -0.04 -5.24 -0.14 0.00 0.04 0.00 0.00 34.50 29.11 1ujt s PRO 24 CO -0.12 -3.99 2.19 0.28 0.04 0.00 0.00 177.00 175.39 1ujt n VAL 25 N 7.81 0.11 -2.78 -0.36 0.31 0.96 -4.63 118.33 119.75 1ujt n VAL 25 Ca 0.45 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 64.19 1ujt n VAL 25 Cb 0.47 -1.20 -0.04 0.00 -0.91 0.00 0.00 33.84 32.16 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 6.95 4.52 -0.17 2.52 0.11 -1.26 0.06 120.40 133.11 1ujt s VAL 26 Ca 1.14 1.13 -0.15 0.00 -2.93 0.00 0.00 61.98 61.16 1ujt s VAL 26 Cb -1.10 -4.39 -0.11 0.00 -1.53 0.00 0.00 36.38 29.25 1ujt s VAL 26 CO 0.55 -0.65 0.05 -0.07 -3.33 0.00 0.00 175.10 171.65 1ujt h LEU 27 N 10.30 0.00 -8.73 2.54 3.38 -1.89 -3.48 115.31 117.43 1ujt h LEU 27 Ca -0.23 -0.28 -0.37 0.00 0.09 0.00 0.00 57.88 57.09 1ujt h LEU 27 Cb 1.07 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 1ujt h LEU 27 CO 1.01 1.11 -0.72 0.42 0.09 0.00 0.00 178.44 180.35 1ujt s THR 28 N -2.27 1.34 -2.00 0.22 -4.23 -0.33 -5.02 115.64 103.35 1ujt s THR 28 Ca -0.21 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 58.30 1ujt s THR 28 Cb 0.04 -1.93 0.32 0.00 1.34 0.00 0.00 72.50 72.27 1ujt s THR 28 CO 0.41 -0.69 1.10 -0.81 -0.54 0.00 0.00 174.62 174.09 1ujt n PRO 29 N -0.26 0.49 0.00 3.99 -0.04 -1.26 -2.04 135.00 135.87 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 0.61 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.86 0.00 -3.70 0.52 -2.24 -1.26 -2.93 114.28 103.81 1ujt n THR 30 Ca 0.08 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.45 1ujt n THR 30 Cb 0.04 1.14 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.39 -0.01 0.06 4.28 2.01 -0.87 -1.89 115.64 118.83 1ujt s THR 31 Ca 0.00 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.13 1ujt s THR 31 Cb 0.00 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.85 1ujt s THR 31 CO 0.00 0.02 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.04 1ujt s VAL 32 N 0.95 1.76 -0.29 3.82 1.01 -1.10 -1.19 120.40 125.36 1ujt s VAL 32 Ca -0.06 -1.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.52 1ujt s VAL 32 Cb -0.06 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1ujt s VAL 32 CO -0.08 0.16 0.10 -1.58 0.00 0.00 0.00 175.10 173.70 1ujt s GLN 33 N -1.39 3.29 -0.18 2.72 2.00 0.11 -2.26 119.66 123.96 1ujt s GLN 33 Ca 0.08 -0.73 -0.07 0.00 -2.00 0.00 0.00 55.36 52.64 1ujt s GLN 33 Cb -0.09 -3.42 -0.04 0.00 0.80 0.00 0.00 33.01 30.26 1ujt s GLN 33 CO 0.03 -0.38 0.05 0.08 -0.50 0.00 0.00 175.29 174.56 1ujt s VAL 34 N 1.56 4.67 0.11 1.34 1.01 -0.88 -0.03 120.40 128.19 1ujt s VAL 34 Ca 0.04 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1ujt s VAL 34 Cb -0.17 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1ujt s VAL 34 CO 0.04 0.47 -0.19 -0.89 0.00 0.00 0.00 175.10 174.53 1ujt s THR 35 N 0.32 1.64 -0.20 3.92 2.01 -1.26 -2.27 115.64 119.80 1ujt s THR 35 Ca 0.02 -1.60 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 1ujt s THR 35 Cb -0.13 -1.55 0.08 0.00 0.01 0.00 0.00 72.50 70.91 1ujt s THR 35 CO 0.01 -0.15 0.75 -1.66 -0.69 0.00 0.00 174.62 172.88 1ujt s TRP 36 N -1.39 -0.71 0.20 4.92 -2.14 -0.97 -3.93 118.94 114.92 1ujt s TRP 36 Ca 0.07 1.58 0.11 0.00 2.66 0.00 0.00 56.10 60.52 1ujt s TRP 36 Cb -0.09 0.33 -0.04 0.00 -3.10 0.00 0.00 33.47 30.56 1ujt s TRP 36 CO 0.04 -0.43 -0.19 0.95 -2.66 0.00 0.00 176.95 174.67 1ujt s THR 37 N -0.14 2.64 -0.06 0.66 -4.23 -0.62 -4.75 115.64 109.15 1ujt s THR 37 Ca -0.03 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1ujt s THR 37 Cb -0.03 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1ujt s THR 37 CO 0.03 -0.14 -0.17 0.68 -0.54 0.00 0.00 174.62 174.48 1ujt s VAL 38 N -1.77 1.43 0.15 2.29 -7.23 -1.26 0.04 120.40 114.05 1ujt s VAL 38 Ca 0.23 -0.69 -0.11 0.00 -1.81 0.00 0.00 61.98 59.59 1ujt s VAL 38 Cb -0.08 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 1ujt s VAL 38 CO 0.12 0.42 1.52 -0.78 -0.31 0.00 0.00 175.10 176.07 1ujt h ASP 39 N 6.49 0.96 -2.64 4.85 3.58 -1.98 -3.35 116.42 124.34 1ujt h ASP 39 Ca -0.30 -0.41 -0.61 0.00 0.42 0.00 0.00 57.03 56.13 1ujt h ASP 39 Cb 1.19 -0.27 -0.42 0.00 1.72 0.00 0.00 39.33 41.55 1ujt h ASP 39 CO 0.48 1.15 -0.60 0.54 -2.88 0.00 0.00 179.24 177.94 1ujt n ARG 40 N -4.16 2.12 -1.41 0.28 3.00 -1.26 -5.06 116.66 110.17 1ujt n ARG 40 Ca -0.01 -4.54 -0.49 0.00 -0.01 0.00 0.00 57.85 52.80 1ujt n ARG 40 Cb 0.46 -2.25 -0.10 0.00 0.00 0.00 0.00 32.46 30.56 1ujt n ARG 40 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1ujt n GLN 41 N 1.44 0.45 -2.22 5.56 7.27 -1.26 -4.86 117.38 123.77 1ujt n GLN 41 Ca 0.25 0.09 -0.41 0.00 0.07 0.00 0.00 57.00 57.00 1ujt n GLN 41 Cb 0.38 -2.01 -0.03 0.00 2.41 0.00 0.00 30.24 30.99 1ujt n GLN 41 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ujt s PRO 42 N 7.12 4.39 -0.12 3.69 0.04 -1.26 -4.96 135.00 143.90 1ujt s PRO 42 Ca 1.19 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 64.13 1ujt s PRO 42 Cb -1.09 -3.20 -0.26 0.00 0.04 0.00 0.00 34.50 29.99 1ujt s PRO 42 CO 0.52 -0.26 0.47 0.37 0.04 0.00 0.00 177.00 178.14 1ujt h GLN 43 N 5.45 0.22 -0.44 4.56 4.15 -2.01 -3.34 115.11 123.69 1ujt h GLN 43 Ca -0.45 -0.37 0.10 0.00 0.77 0.00 0.00 58.65 58.70 1ujt h GLN 43 Cb 1.21 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 1ujt h GLN 43 CO 0.78 1.18 0.30 0.27 -1.93 0.00 0.00 178.83 179.43 1ujt h PHE 44 N -0.31 0.16 -2.96 3.99 -5.15 -1.93 -3.43 116.94 107.32 1ujt h PHE 44 Ca -0.34 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 56.90 1ujt h PHE 44 Cb 1.77 -0.05 0.22 0.00 0.22 0.00 0.00 35.95 38.11 1ujt h PHE 44 CO 0.11 0.08 -0.99 1.51 -2.00 0.00 0.00 178.31 177.02 1ujt n ILE 45 N -4.45 0.00 -0.04 0.88 3.06 -1.26 -4.96 119.36 112.59 1ujt n ILE 45 Ca 0.07 -0.29 -0.06 0.00 -2.50 0.00 0.00 62.75 59.97 1ujt n ILE 45 Cb 0.40 -0.42 -0.05 0.00 0.54 0.00 0.00 39.64 40.11 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 -0.36 1.19 0.00 9.51 1.13 -1.21 -4.92 117.38 122.72 1ujt n GLN 46 Ca 0.04 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1ujt n GLN 46 Cb 0.54 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.70 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 2.86 1.49 3.03 1.08 0.00 -1.22 -2.98 105.19 109.44 1ujt n GLY 47 Ca -0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.23 -0.30 -0.42 1.61 2.02 -1.26 -3.74 117.35 115.04 1ujt s TYR 48 Ca 0.00 0.72 -0.14 0.00 -0.37 0.00 0.00 57.07 57.29 1ujt s TYR 48 Cb 0.00 0.03 0.04 0.00 -0.40 0.00 0.00 41.96 41.63 1ujt s TYR 48 CO 0.00 -0.22 0.30 0.50 -1.57 0.00 0.00 175.55 174.56 1ujt s ARG 49 N 1.19 2.90 -0.58 -0.62 6.06 -1.00 -2.24 118.95 124.66 1ujt s ARG 49 Ca -0.09 -1.16 -0.21 0.00 -2.50 0.00 0.00 55.73 51.77 1ujt s ARG 49 Cb -0.10 -3.94 0.06 0.00 0.06 0.00 0.00 34.95 31.03 1ujt s ARG 49 CO -0.08 -0.83 0.83 0.08 -2.50 0.00 0.00 175.30 172.80 1ujt s VAL 50 N 1.62 4.57 -0.20 7.11 1.01 -1.13 -3.25 120.40 130.13 1ujt s VAL 50 Ca 0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1ujt s VAL 50 Cb -0.21 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 1ujt s VAL 50 CO 0.08 -1.14 0.55 -0.04 0.00 0.00 0.00 175.10 174.54 1ujt s MET 51 N 3.43 4.20 0.15 2.72 -1.94 -1.21 -0.51 119.30 126.15 1ujt s MET 51 Ca 0.21 0.47 0.02 0.00 -1.71 0.00 0.00 55.69 54.67 1ujt s MET 51 Cb -0.18 -3.56 -0.04 0.00 2.01 0.00 0.00 34.83 33.06 1ujt s MET 51 CO 0.12 -0.16 -0.02 1.52 -0.01 0.00 0.00 175.02 176.47 1ujt s TYR 52 N 1.68 1.11 -0.20 -0.03 1.13 -1.15 -2.58 117.35 117.30 1ujt s TYR 52 Ca 0.25 -0.99 -0.32 0.00 -1.41 0.00 0.00 57.07 54.60 1ujt s TYR 52 Cb -0.16 -0.63 0.15 0.00 -1.10 0.00 0.00 41.96 40.22 1ujt s TYR 52 CO 0.10 -0.19 1.18 -0.98 -2.51 0.00 0.00 175.55 173.15 1ujt s ARG 53 N -3.89 0.34 0.12 -3.49 1.70 -1.15 0.05 118.95 112.62 1ujt s ARG 53 Ca 0.20 -0.04 -0.29 0.00 -0.47 0.00 0.00 55.73 55.14 1ujt s ARG 53 Cb 0.06 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.53 1ujt s ARG 53 CO 0.01 -0.13 0.93 -1.14 -1.08 0.00 0.00 175.30 173.89 1ujt s GLN 54 N -1.82 4.68 -0.22 3.89 0.74 -1.26 -2.71 119.66 122.97 1ujt s GLN 54 Ca 0.07 1.39 -0.03 0.00 0.05 0.00 0.00 55.36 56.84 1ujt s GLN 54 Cb -0.01 -3.36 -0.19 0.00 1.10 0.00 0.00 33.01 30.55 1ujt s GLN 54 CO -0.04 0.27 -0.04 0.25 -0.55 0.00 0.00 175.29 175.17 1ujt n THR 55 N 2.61 1.58 -4.10 -0.34 -2.24 -1.20 -2.32 114.28 108.28 1ujt n THR 55 Ca 0.01 -0.57 -0.26 0.00 -2.27 0.00 0.00 64.05 60.96 1ujt n THR 55 Cb 0.49 -1.57 -0.06 0.00 -2.10 0.00 0.00 70.33 67.09 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 -6.76 5.40 0.00 3.42 0.15 -1.26 -4.43 113.70 110.22 1ujt s SER 56 Ca -0.31 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1ujt s SER 56 Cb 0.09 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1ujt s SER 56 CO 0.64 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.77 1ujt n GLY 57 N -0.27 -1.81 0.07 9.45 0.00 -1.26 -4.21 105.19 107.16 1ujt n GLY 57 Ca -0.09 -2.03 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.03 -0.73 0.99 7.12 -1.99 -3.24 115.31 117.44 1ujt h LEU 58 Ca 0.00 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 57.40 1ujt h LEU 58 Cb 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1ujt h LEU 58 CO 0.00 0.75 0.10 0.00 -0.13 0.00 0.00 178.44 179.16 1ujt n GLN 59 N -4.71 0.07 -1.13 1.25 3.00 -1.26 -4.65 117.38 109.95 1ujt n GLN 59 Ca -0.07 0.53 -0.30 0.00 -0.01 0.00 0.00 57.00 57.16 1ujt n GLN 59 Cb 0.31 -1.84 0.14 0.00 0.00 0.00 0.00 30.24 28.85 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujt s ALA 60 N -3.21 1.54 -0.28 -1.58 0.00 -1.22 -3.10 121.76 113.90 1ujt s ALA 60 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ujt s ALA 60 Cb 0.03 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1ujt s ALA 60 CO 0.10 -2.38 0.00 -2.37 0.00 0.00 0.00 175.76 171.11 1ujt n THR 61 N -3.92 -0.09 -0.03 0.00 5.66 -0.98 -4.75 114.28 110.17 1ujt n THR 61 Ca 0.08 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.05 1ujt n THR 61 Cb 0.54 -0.37 -0.01 0.00 -1.55 0.00 0.00 70.33 68.94 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 -0.80 0.79 -3.63 1.09 2.88 -1.18 -5.06 113.62 107.71 1ujt n SER 62 Ca -0.03 0.32 -0.15 0.00 -1.33 0.00 0.00 58.87 57.68 1ujt n SER 62 Cb 0.38 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 63.13 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 -4.57 -0.69 0.60 -3.46 0.15 -1.26 -5.17 113.70 99.31 1ujt s SER 63 Ca -0.08 1.23 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 1ujt s SER 63 Cb 0.01 1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 65.50 1ujt s SER 63 CO 0.12 -0.30 1.03 0.26 1.20 0.00 0.00 173.24 175.55 1ujt s TRP 64 N 0.06 3.45 0.53 3.44 0.52 -1.26 -4.77 118.94 120.91 1ujt s TRP 64 Ca -0.02 1.38 0.01 0.00 0.02 0.00 0.00 56.10 57.48 1ujt s TRP 64 Cb -0.04 -2.79 -0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1ujt s TRP 64 CO 0.03 -0.73 0.02 -0.65 0.02 0.00 0.00 176.95 175.64 1ujt s GLN 65 N -4.77 2.23 -0.29 4.98 -1.52 0.11 -4.98 119.66 115.41 1ujt s GLN 65 Ca 0.57 -2.42 -0.13 0.00 -1.95 0.00 0.00 55.36 51.43 1ujt s GLN 65 Cb -0.12 -1.54 0.13 0.00 -0.22 0.00 0.00 33.01 31.26 1ujt s GLN 65 CO 0.47 -0.41 0.80 0.54 -0.25 0.00 0.00 175.29 176.43 1ujt s ASN 66 N -3.92 -0.87 -0.52 5.90 2.20 -1.25 -2.95 114.94 113.53 1ujt s ASN 66 Ca 0.03 1.25 -0.10 0.00 -0.94 0.00 0.00 52.86 53.11 1ujt s ASN 66 Cb 0.00 1.81 0.13 0.00 -2.00 0.00 0.00 41.25 41.20 1ujt s ASN 66 CO 0.02 -0.18 0.40 -0.22 -2.94 0.00 0.00 177.10 174.18 1ujt s LEU 67 N 2.33 5.79 -0.33 3.54 2.96 0.33 -4.90 118.68 128.40 1ujt s LEU 67 Ca -0.06 -2.06 -0.28 0.00 -0.22 0.00 0.00 54.13 51.51 1ujt s LEU 67 Cb -0.08 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1ujt s LEU 67 CO -0.18 -0.67 1.79 1.51 -1.32 0.00 0.00 176.35 177.48 1ujt s ASP 68 N 2.52 5.89 0.24 3.68 1.47 -1.26 -2.85 116.67 126.36 1ujt s ASP 68 Ca 0.08 1.29 0.03 0.00 1.18 0.00 0.00 52.55 55.12 1ujt s ASP 68 Cb -0.25 -2.53 0.26 0.00 -0.34 0.00 0.00 42.92 40.07 1ujt s ASP 68 CO -0.01 -1.71 1.58 0.00 0.68 0.00 0.00 175.17 175.70 1ujt h ALA 69 N 12.86 0.87 -4.81 2.11 0.00 -1.86 -3.47 119.26 124.97 1ujt h ALA 69 Ca -0.33 -0.50 -0.37 0.00 0.00 0.00 0.00 54.91 53.71 1ujt h ALA 69 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1ujt h ALA 69 CO 1.03 0.69 -0.53 1.63 0.00 0.00 0.00 179.25 182.07 1ujt n LYS 70 N -3.93 -3.62 -3.28 0.00 5.02 -1.26 -4.93 118.16 106.16 1ujt n LYS 70 Ca -0.02 0.64 -0.03 0.00 -2.02 0.00 0.00 58.31 56.88 1ujt n LYS 70 Cb 0.58 -5.38 -0.05 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.96 -0.79 0.19 -0.18 1.01 -1.25 -4.95 120.40 111.47 1ujt s VAL 71 Ca 0.29 -0.03 0.27 0.00 0.00 0.00 0.00 61.98 62.52 1ujt s VAL 71 Cb -0.15 -0.89 0.28 0.00 0.00 0.00 0.00 36.38 35.62 1ujt s VAL 71 CO 0.36 -0.06 1.92 1.55 0.00 0.00 0.00 175.10 178.87 1ujt h PRO 72 N 8.10 0.00 0.00 2.72 0.13 -1.86 -2.83 132.00 138.26 1ujt h PRO 72 Ca -0.21 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.78 1ujt h PRO 72 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ujt h PRO 72 CO 0.26 0.15 -0.71 1.79 -0.23 0.00 0.00 178.00 179.26 1ujt h THR 73 N 0.00 1.13 -3.59 1.56 1.35 -1.95 -3.43 112.91 107.97 1ujt h THR 73 Ca -0.00 -2.61 -0.58 0.00 -0.55 0.00 0.00 66.41 62.67 1ujt h THR 73 Cb 0.61 2.55 -0.08 0.00 -1.73 0.00 0.00 68.15 69.50 1ujt h THR 73 CO 0.02 0.64 0.79 -1.61 -0.25 0.00 0.00 175.52 175.11 1ujt s GLU 74 N -2.87 3.77 -0.43 4.72 2.02 -1.07 -4.90 118.70 119.94 1ujt s GLU 74 Ca 0.03 0.59 0.04 0.00 0.02 0.00 0.00 54.97 55.65 1ujt s GLU 74 Cb 0.08 -3.86 0.58 0.00 0.10 0.00 0.00 34.13 31.04 1ujt s GLU 74 CO 0.77 -1.18 1.78 0.54 0.02 0.00 0.00 175.26 177.19 1ujt n ARG 75 N 7.34 2.25 -3.64 1.61 1.74 -1.26 -4.87 116.66 119.83 1ujt n ARG 75 Ca 0.10 -3.15 -0.03 0.00 -0.77 0.00 0.00 57.85 53.99 1ujt n ARG 75 Cb 0.48 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.76 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 -1.82 -0.57 0.42 0.55 1.04 -1.26 -2.29 113.70 109.76 1ujt s SER 76 Ca 0.55 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.96 1ujt s SER 76 Cb 0.46 1.22 -0.07 0.00 0.10 0.00 0.00 66.02 67.73 1ujt s SER 76 CO 0.06 -0.15 0.01 0.00 0.98 0.00 0.00 173.24 174.14 1ujt s ALA 77 N 1.35 3.22 -0.10 5.32 0.00 -0.96 -4.98 121.76 125.61 1ujt s ALA 77 Ca -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.73 1ujt s ALA 77 Cb -0.04 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1ujt s ALA 77 CO -0.15 -0.12 -0.09 0.08 0.00 0.00 0.00 175.76 175.48 1ujt s VAL 78 N -2.75 1.07 -0.52 0.00 1.01 -1.26 -2.06 120.40 115.89 1ujt s VAL 78 Ca 0.33 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 1ujt s VAL 78 Cb 0.09 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.50 1ujt s VAL 78 CO 0.17 0.36 0.59 -0.76 0.00 0.00 0.00 175.10 175.46 1ujt s LEU 79 N 1.36 5.24 0.54 3.92 1.43 -0.96 -4.96 118.68 125.25 1ujt s LEU 79 Ca -0.01 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 1ujt s LEU 79 Cb -0.14 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.77 1ujt s LEU 79 CO -0.05 -0.89 0.75 0.68 0.23 0.00 0.00 176.35 177.08 1ujt s VAL 80 N 2.40 2.67 -1.09 -1.59 -7.23 -1.26 -2.70 120.40 111.60 1ujt s VAL 80 Ca 0.12 -0.73 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 1ujt s VAL 80 Cb -0.22 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1ujt s VAL 80 CO 0.09 0.00 0.92 0.59 -0.31 0.00 0.00 175.10 176.39 1ujt n ASN 81 N -2.28 -2.82 -4.97 4.85 3.02 -1.03 -4.97 115.26 107.06 1ujt n ASN 81 Ca 0.09 -0.53 -0.19 0.00 -0.03 0.00 0.00 54.58 53.92 1ujt n ASN 81 Cb 0.60 -4.58 -0.00 0.00 -0.61 0.00 0.00 39.78 35.19 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 -6.00 3.78 0.12 3.41 1.43 -0.79 -5.06 118.68 115.56 1ujt s LEU 82 Ca 0.11 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1ujt s LEU 82 Cb -0.05 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.50 1ujt s LEU 82 CO 0.65 -0.55 0.51 -0.54 0.23 0.00 0.00 176.35 176.64 1ujt s LYS 83 N -4.21 3.96 -0.02 1.70 1.02 -1.26 -4.52 119.74 116.41 1ujt s LYS 83 Ca 0.48 0.45 -0.18 0.00 0.02 0.00 0.00 55.97 56.75 1ujt s LYS 83 Cb -0.09 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1ujt s LYS 83 CO 0.31 0.53 0.50 -1.59 -0.92 0.00 0.00 175.35 174.17 1ujt s LYS 84 N -1.80 4.18 -0.27 1.68 -2.85 -1.15 -4.38 119.74 115.15 1ujt s LYS 84 Ca 0.35 0.55 -0.01 0.00 -1.00 0.00 0.00 55.97 55.87 1ujt s LYS 84 Cb -0.15 -3.31 -0.01 0.00 -2.06 0.00 0.00 37.83 32.30 1ujt s LYS 84 CO 0.18 0.46 0.23 0.41 0.10 0.00 0.00 175.35 176.74 1ujt n GLY 85 N 2.35 0.33 3.58 0.59 0.00 0.63 -4.92 105.19 107.75 1ujt n GLY 85 Ca -0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.09 0.00 0.36 1.61 0.11 -1.10 -4.98 120.40 113.31 1ujt s VAL 86 Ca 0.06 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.93 1ujt s VAL 86 Cb -0.01 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.75 1ujt s VAL 86 CO 0.18 0.00 0.82 -0.89 -3.33 0.00 0.00 175.10 171.88 1ujt s THR 87 N -0.93 4.55 -0.04 5.04 2.01 -1.26 -1.91 115.64 123.10 1ujt s THR 87 Ca -0.02 1.20 -0.01 0.00 0.31 0.00 0.00 61.69 63.18 1ujt s THR 87 Cb -0.01 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.89 1ujt s THR 87 CO 0.01 -0.20 0.01 -0.31 -0.69 0.00 0.00 174.62 173.44 1ujt s TYR 88 N -2.02 0.33 -0.23 4.92 2.02 0.29 -3.26 117.35 119.41 1ujt s TYR 88 Ca 0.56 0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 57.13 1ujt s TYR 88 Cb -0.10 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1ujt s TYR 88 CO 0.16 -0.19 0.38 -2.00 -1.57 0.00 0.00 175.55 172.34 1ujt s GLU 89 N 1.49 4.12 0.04 -0.62 2.12 -1.10 -0.20 118.70 124.55 1ujt s GLU 89 Ca -0.03 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.45 1ujt s GLU 89 Cb -0.13 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 1ujt s GLU 89 CO -0.03 -0.11 -0.08 0.42 -0.54 0.00 0.00 175.26 174.91 1ujt s ILE 90 N 1.56 0.60 -0.08 -3.70 1.09 0.29 -2.95 121.20 118.01 1ujt s ILE 90 Ca 0.17 -1.04 -0.06 0.00 -1.10 0.00 0.00 60.65 58.63 1ujt s ILE 90 Cb -0.15 -0.65 0.03 0.00 -1.06 0.00 0.00 42.46 40.64 1ujt s ILE 90 CO 0.08 -0.32 0.20 -1.59 -0.10 0.00 0.00 174.94 173.21 1ujt s LYS 91 N -1.48 0.20 -0.23 2.79 0.00 -1.07 -0.23 119.74 119.72 1ujt s LYS 91 Ca -0.08 0.37 -0.22 0.00 0.00 0.00 0.00 55.97 56.04 1ujt s LYS 91 Cb -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 37.83 37.70 1ujt s LYS 91 CO 0.01 -0.09 0.69 0.08 0.00 0.00 0.00 175.35 176.03 1ujt s VAL 92 N 0.66 4.95 -0.19 1.79 1.01 -1.26 -3.29 120.40 124.07 1ujt s VAL 92 Ca -0.05 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.22 1ujt s VAL 92 Cb -0.06 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1ujt s VAL 92 CO -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 175.10 175.03 1ujt s ARG 93 N 2.39 1.59 -0.48 2.72 1.70 -1.20 -2.56 118.95 123.10 1ujt s ARG 93 Ca 0.30 -0.70 -0.28 0.00 -0.47 0.00 0.00 55.73 54.59 1ujt s ARG 93 Cb -0.16 -2.24 -0.02 0.00 -0.57 0.00 0.00 34.95 31.96 1ujt s ARG 93 CO 0.09 -0.48 1.77 -1.25 -1.08 0.00 0.00 175.30 174.36 1ujt s PRO 94 N 1.53 3.03 0.19 3.89 0.04 -1.26 -2.37 135.00 140.05 1ujt s PRO 94 Ca -0.01 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.04 1ujt s PRO 94 Cb -0.16 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.08 1ujt s PRO 94 CO -0.08 -2.24 0.20 1.52 0.04 0.00 0.00 177.00 176.45 1ujt s TYR 95 N 7.73 3.25 -0.01 0.56 -0.85 -1.25 0.16 117.35 126.95 1ujt s TYR 95 Ca 0.71 -0.01 -0.01 0.00 -0.52 0.00 0.00 57.07 57.24 1ujt s TYR 95 Cb -0.17 -1.53 -0.00 0.00 0.38 0.00 0.00 41.96 40.64 1ujt s TYR 95 CO 0.27 0.51 -0.02 0.34 -1.52 0.00 0.00 175.55 175.13 1ujt n PHE 96 N -0.67 0.00 0.00 -3.49 7.35 -1.19 -3.32 117.46 116.14 1ujt n PHE 96 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 1ujt n PHE 96 Cb 0.55 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.35 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 -2.64 0.00 -0.05 -2.13 2.85 -1.26 -4.24 115.26 107.79 1ujt n ASN 97 Ca -0.01 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.40 1ujt n ASN 97 Cb 0.03 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.99 1ujt n ASN 97 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ujt n GLU 98 N -2.31 1.49 -2.04 1.20 2.13 -1.26 -5.03 120.64 114.82 1ujt n GLU 98 Ca 0.00 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 1ujt n GLU 98 Cb 0.00 -1.21 0.01 0.00 0.27 0.00 0.00 31.44 30.50 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ujt s PHE 99 N -2.21 3.61 0.01 4.31 -0.71 -1.26 -5.08 117.98 116.65 1ujt s PHE 99 Ca -0.09 1.22 0.06 0.00 -1.04 0.00 0.00 56.93 57.07 1ujt s PHE 99 Cb 0.03 -2.65 -0.03 0.00 -1.21 0.00 0.00 43.02 39.16 1ujt s PHE 99 CO 0.29 -0.60 -0.16 1.14 -1.34 0.00 0.00 175.22 174.55 1ujt s GLN 100 N -5.03 2.25 0.49 1.99 -2.07 -1.26 -3.17 119.66 112.85 1ujt s GLN 100 Ca 0.54 -0.87 -0.11 0.00 -1.82 0.00 0.00 55.36 53.10 1ujt s GLN 100 Cb -0.11 -2.26 -0.06 0.00 -1.09 0.00 0.00 33.01 29.49 1ujt s GLN 100 CO 0.51 0.57 0.88 0.20 -1.32 0.00 0.00 175.29 176.13 1ujt s GLY 101 N -1.17 1.82 -0.40 2.60 0.00 0.12 -4.91 107.32 105.38 1ujt s GLY 101 Ca 0.14 -0.15 -0.37 0.00 0.00 0.00 0.00 44.72 44.34 1ujt s GLY 101 CO 0.04 0.07 1.39 -0.13 0.00 0.00 0.00 173.10 174.47 1ujt n MET 102 N -1.86 0.00 -2.77 2.90 1.56 -1.26 -4.09 117.12 111.60 1ujt n MET 102 Ca 0.04 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.05 1ujt n MET 102 Cb 0.54 -1.20 -0.03 0.00 2.15 0.00 0.00 33.22 34.68 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 3.03 7.24 1.30 6.12 -4.77 -1.26 -4.46 116.67 123.86 1ujt s ASP 103 Ca 0.87 1.50 -0.19 0.00 -3.30 0.00 0.00 52.55 51.43 1ujt s ASP 103 Cb -1.20 -2.53 0.32 0.00 -1.09 0.00 0.00 42.92 38.42 1ujt s ASP 103 CO 0.62 -0.31 1.00 -0.55 0.70 0.00 0.00 175.17 176.63 1ujt s SER 104 N 1.02 0.01 -0.02 2.11 0.15 -1.06 -4.87 113.70 111.04 1ujt s SER 104 Ca 0.47 0.97 -0.30 0.00 0.70 0.00 0.00 55.95 57.79 1ujt s SER 104 Cb -0.19 -1.42 -0.07 0.00 -1.71 0.00 0.00 66.02 62.62 1ujt s SER 104 CO 0.22 -4.72 1.83 -1.83 1.20 0.00 0.00 173.24 169.94 1ujt s GLU 105 N -5.00 4.11 -0.16 5.44 -1.05 -1.26 -4.74 118.70 116.05 1ujt s GLU 105 Ca 0.69 2.38 -0.37 0.00 -0.15 0.00 0.00 54.97 57.52 1ujt s GLU 105 Cb -0.15 -4.09 -0.14 0.00 -0.44 0.00 0.00 34.13 29.30 1ujt s GLU 105 CO 0.59 -0.96 1.75 -1.13 0.95 0.00 0.00 175.26 176.47 1ujt n SER 106 N 7.54 2.75 -4.76 0.83 3.41 -1.26 -4.86 113.62 117.27 1ujt n SER 106 Ca 0.19 1.04 -0.36 0.00 -0.26 0.00 0.00 58.87 59.49 1ujt n SER 106 Cb 0.42 -1.24 -0.08 0.00 -0.26 0.00 0.00 64.21 63.05 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 3.36 3.81 -0.23 4.33 -0.14 0.68 -4.88 119.74 126.68 1ujt s LYS 107 Ca 0.94 -0.23 -0.10 0.00 -1.36 0.00 0.00 55.97 55.23 1ujt s LYS 107 Cb -0.91 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 31.94 1ujt s LYS 107 CO 0.58 0.48 0.13 0.95 -0.76 0.00 0.00 175.35 176.73 1ujt s THR 108 N -0.19 5.13 -0.21 2.17 -4.23 -1.26 -0.55 115.64 116.50 1ujt s THR 108 Ca 0.10 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.67 1ujt s THR 108 Cb -0.12 -3.38 -0.01 0.00 1.34 0.00 0.00 72.50 70.34 1ujt s THR 108 CO 0.01 0.37 -0.06 0.54 -0.54 0.00 0.00 174.62 174.94 1ujt s VAL 109 N 0.98 3.30 -0.49 2.29 0.11 0.73 -4.88 120.40 122.42 1ujt s VAL 109 Ca 0.06 -0.53 -0.20 0.00 -2.93 0.00 0.00 61.98 58.39 1ujt s VAL 109 Cb -0.13 -2.48 0.05 0.00 -1.53 0.00 0.00 36.38 32.28 1ujt s VAL 109 CO 0.04 0.44 0.67 -0.60 -3.33 0.00 0.00 175.10 172.31 1ujt s ARG 110 N 1.30 3.18 -0.58 1.54 3.52 -1.26 -0.54 118.95 126.10 1ujt s ARG 110 Ca 0.04 -0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 54.67 1ujt s ARG 110 Cb -0.14 -4.05 0.03 0.00 -1.56 0.00 0.00 34.95 29.22 1ujt s ARG 110 CO -0.03 -1.20 1.24 0.95 -0.81 0.00 0.00 175.30 175.46 1ujt s THR 111 N 2.83 3.96 1.02 4.11 -4.23 -0.80 -4.95 115.64 117.58 1ujt s THR 111 Ca 0.19 0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 61.34 1ujt s THR 111 Cb -0.17 -4.68 0.02 0.00 1.34 0.00 0.00 72.50 69.01 1ujt s THR 111 CO 0.14 -1.33 -0.42 1.07 -0.54 0.00 0.00 174.62 173.54 1ujt n THR 112 N 6.70 0.00 -4.48 3.99 5.66 -1.26 -0.27 114.28 124.61 1ujt n THR 112 Ca 0.09 -0.13 -0.23 0.00 -3.05 0.00 0.00 64.05 60.72 1ujt n THR 112 Cb 0.49 -0.35 -0.14 0.00 -1.55 0.00 0.00 70.33 68.78 1ujt n THR 112 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ujt s GLU 113 N -2.91 1.18 0.74 1.09 4.04 -1.26 -1.96 118.70 119.64 1ujt s GLU 113 Ca 0.42 -0.91 -0.07 0.00 0.04 0.00 0.00 54.97 54.45 1ujt s GLU 113 Cb -0.03 -1.28 0.09 0.00 0.02 0.00 0.00 34.13 32.93 1ujt s GLU 113 CO 0.55 0.32 1.06 -1.83 -1.84 0.00 0.00 175.26 173.51 1ujt s GLU 114 N -1.28 1.91 -0.83 -4.83 -1.05 -1.26 -4.45 118.70 106.91 1ujt s GLU 114 Ca 0.05 -0.38 -0.04 0.00 -0.15 0.00 0.00 54.97 54.45 1ujt s GLU 114 Cb -0.09 -2.14 0.00 0.00 -0.44 0.00 0.00 34.13 31.47 1ujt s GLU 114 CO 0.02 -1.43 0.72 0.45 0.95 0.00 0.00 175.26 175.97 1ujt n SER 115 N -3.03 -4.03 -3.65 0.83 2.88 -1.26 -5.01 113.62 100.36 1ujt n SER 115 Ca 0.10 -0.36 -0.01 0.00 -1.33 0.00 0.00 58.87 57.27 1ujt n SER 115 Cb 0.60 -3.39 -0.01 0.00 -0.75 0.00 0.00 64.21 60.66 1ujt n SER 115 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujt s GLY 116 N -3.39 -0.36 1.25 0.46 0.00 -1.26 -5.18 107.32 98.85 1ujt s GLY 116 Ca 0.27 0.65 -0.21 0.00 0.00 0.00 0.00 44.72 45.43 1ujt s GLY 116 CO 0.46 0.14 1.12 2.56 0.00 0.00 0.00 173.10 177.38 1ujt s PRO 117 N -2.69 -1.65 0.07 2.90 0.04 -1.26 -5.07 135.00 127.34 1ujt s PRO 117 Ca 0.13 -0.22 -0.00 0.00 0.04 0.00 0.00 61.00 60.94 1ujt s PRO 117 Cb 0.02 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.96 1ujt s PRO 117 CO -0.03 -3.96 -0.03 -1.54 0.04 0.00 0.00 177.00 171.48 1ujt s SER 118 N -4.02 0.66 0.04 6.66 1.04 -1.26 -5.00 113.70 111.82 1ujt s SER 118 Ca 0.72 -1.02 -0.37 0.00 0.48 0.00 0.00 55.95 55.76 1ujt s SER 118 Cb -0.07 0.18 -0.17 0.00 0.10 0.00 0.00 66.02 66.06 1ujt s SER 118 CO 0.56 -0.57 1.36 -1.54 0.98 0.00 0.00 173.24 174.02 1ujt n SER 119 N 0.05 1.58 0.00 7.02 3.41 -1.26 -5.29 113.62 119.13 1ujt n SER 119 Ca -0.13 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 1ujt n SER 119 Cb 0.61 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49