#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 6.20 -0.21 1.61 0.15 -1.26 -5.00 113.70 115.19 1ujt s SER 2 Ca 0.00 -1.01 -0.29 0.00 0.70 0.00 0.00 55.95 55.36 1ujt s SER 2 Cb 0.00 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1ujt s SER 2 CO 0.00 -1.25 1.89 -0.44 1.20 0.00 0.00 173.24 174.64 1ujt s SER 3 N 3.41 5.99 0.00 5.45 0.01 -1.26 -4.52 113.70 122.78 1ujt s SER 3 Ca 0.19 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.23 1ujt s SER 3 Cb -0.19 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1ujt s SER 3 CO 0.11 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 172.82 1ujt n GLY 4 N 5.16 -0.29 2.21 3.44 0.00 -1.26 -4.93 105.19 109.53 1ujt n GLY 4 Ca 0.23 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1ujt n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujt n SER 5 N 0.00 5.71 -4.66 1.61 2.88 -1.26 -4.96 113.62 112.94 1ujt n SER 5 Ca 0.00 -3.60 -0.43 0.00 -1.33 0.00 0.00 58.87 53.51 1ujt n SER 5 Cb 0.00 -0.91 -0.02 0.00 -0.75 0.00 0.00 64.21 62.53 1ujt n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ujt s SER 6 N -1.36 6.93 -0.68 -3.46 1.04 -1.26 -4.96 113.70 109.95 1ujt s SER 6 Ca 0.57 1.72 0.04 0.00 0.48 0.00 0.00 55.95 58.76 1ujt s SER 6 Cb 0.46 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 64.33 1ujt s SER 6 CO 0.04 -0.77 0.94 0.61 0.98 0.00 0.00 173.24 175.05 1ujt n GLY 7 N 3.64 5.18 0.10 7.32 0.00 -1.26 -4.86 105.19 115.32 1ujt n GLY 7 Ca 0.14 -2.76 -0.11 0.00 0.00 0.00 0.00 46.02 43.29 1ujt n GLY 7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ujt h ARG 8 N 3.92 -0.13 0.00 1.61 1.12 -2.00 -3.15 114.38 115.75 1ujt h ARG 8 Ca 0.20 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.08 1ujt h ARG 8 Cb 0.59 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 1ujt h ARG 8 CO 0.90 0.39 0.48 0.37 -3.11 0.00 0.00 179.97 179.00 1ujt h GLN 9 N -0.84 0.00 0.00 0.20 4.15 -1.96 -2.56 115.11 114.10 1ujt h GLN 9 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ujt h GLN 9 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1ujt h GLN 9 CO 0.02 0.00 0.00 0.28 -1.93 0.00 0.00 178.83 177.20 1ujt n VAL 10 N -2.64 0.00 0.75 2.39 0.31 -1.19 -1.29 118.33 116.66 1ujt n VAL 10 Ca -0.01 1.48 -0.02 0.00 -0.01 0.00 0.00 64.34 65.78 1ujt n VAL 10 Cb 0.51 -2.41 0.02 0.00 -0.91 0.00 0.00 33.84 31.05 1ujt n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ujt n GLN 11 N -2.08 1.19 0.00 5.55 6.02 -0.97 -1.57 117.38 125.51 1ujt n GLN 11 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 1ujt n GLN 11 Cb 0.00 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 0.27 1.87 0.00 -1.09 3.00 -1.05 -4.85 118.16 116.31 1ujt n LYS 12 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1ujt n LYS 12 Cb 0.59 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.75 1ujt n LYS 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ujt n GLU 13 N -1.25 2.13 -0.18 1.64 4.07 -0.41 -4.68 120.64 121.95 1ujt n GLU 13 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 1ujt n GLU 13 Cb 0.09 -0.92 -0.05 0.00 -0.06 0.00 0.00 31.44 30.51 1ujt n GLU 13 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1ujt h LEU 14 N 0.00 -1.00 -2.48 4.31 5.85 -1.43 0.91 115.31 121.47 1ujt h LEU 14 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ujt h LEU 14 Cb 0.84 0.44 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ujt h LEU 14 CO 0.00 -0.12 0.12 1.23 -0.34 0.00 0.00 178.44 179.33 1ujt h GLY 15 N -0.02 0.00 -3.82 3.75 0.00 -1.88 -2.13 103.07 98.97 1ujt h GLY 15 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.98 1ujt h GLY 15 CO -0.42 0.00 0.49 1.22 0.00 0.00 0.00 176.54 177.83 1ujt n ASP 16 N -3.46 6.68 -3.71 0.19 8.00 0.32 -4.77 116.55 119.80 1ujt n ASP 16 Ca -0.01 -3.22 -0.28 0.00 0.71 0.00 0.00 54.79 51.99 1ujt n ASP 16 Cb 0.20 -1.09 -0.16 0.00 -0.02 0.00 0.00 41.12 40.06 1ujt n ASP 16 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ujt s VAL 17 N -2.71 0.52 -0.32 2.53 1.01 -0.80 -4.81 120.40 115.81 1ujt s VAL 17 Ca 0.43 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 1ujt s VAL 17 Cb 0.32 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1ujt s VAL 17 CO -0.06 -0.38 0.67 -0.22 0.00 0.00 0.00 175.10 175.10 1ujt s LEU 18 N 1.84 4.17 -0.25 3.92 2.96 -1.26 -4.54 118.68 125.51 1ujt s LEU 18 Ca 0.03 0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1ujt s LEU 18 Cb -0.17 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 1ujt s LEU 18 CO -0.15 -0.55 0.05 -0.69 -1.32 0.00 0.00 176.35 173.69 1ujt s VAL 19 N 2.73 4.16 -0.27 1.68 1.01 -1.26 -2.68 120.40 125.77 1ujt s VAL 19 Ca 0.26 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1ujt s VAL 19 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1ujt s VAL 19 CO 0.13 0.34 0.23 -0.13 0.00 0.00 0.00 175.10 175.68 1ujt s ARG 20 N 1.59 3.98 -0.41 2.72 0.52 0.62 -4.39 118.95 123.58 1ujt s ARG 20 Ca 0.06 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 54.88 1ujt s ARG 20 Cb -0.15 -3.65 0.02 0.00 0.52 0.00 0.00 34.95 31.69 1ujt s ARG 20 CO 0.03 -0.18 0.43 -1.17 0.02 0.00 0.00 175.30 174.42 1ujt s LEU 21 N 1.78 4.81 0.51 2.53 2.96 -1.26 -0.20 118.68 129.81 1ujt s LEU 21 Ca 0.09 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.19 1ujt s LEU 21 Cb -0.16 -2.38 -0.07 0.00 0.50 0.00 0.00 46.19 44.07 1ujt s LEU 21 CO 0.10 -0.55 1.06 -1.00 -1.32 0.00 0.00 176.35 174.64 1ujt s HIS 22 N 2.12 2.93 -0.29 5.38 3.76 -0.51 -4.89 115.29 123.80 1ujt s HIS 22 Ca 0.12 1.56 -0.42 0.00 -0.15 0.00 0.00 55.06 56.18 1ujt s HIS 22 Cb -0.17 -3.10 -0.17 0.00 1.11 0.00 0.00 32.58 30.25 1ujt s HIS 22 CO 0.13 -1.00 1.65 -1.71 -0.85 0.00 0.00 174.74 172.96 1ujt n ASN 23 N -1.14 1.93 -4.56 1.40 2.85 -1.26 -4.53 115.26 109.95 1ujt n ASN 23 Ca 0.10 1.11 -0.30 0.00 -0.11 0.00 0.00 54.58 55.38 1ujt n ASN 23 Cb 0.52 -1.07 -0.05 0.00 1.24 0.00 0.00 39.78 40.43 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1ujt s PRO 24 N 3.00 2.57 -0.04 1.20 0.04 -1.26 -4.86 135.00 135.65 1ujt s PRO 24 Ca 0.99 -0.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 1ujt s PRO 24 Cb -1.18 -4.88 -0.10 0.00 0.04 0.00 0.00 34.50 28.39 1ujt s PRO 24 CO 0.68 -3.21 1.98 0.28 0.04 0.00 0.00 177.00 176.77 1ujt n VAL 25 N 7.71 0.65 -2.39 -0.36 0.31 -1.22 -4.79 118.33 118.24 1ujt n VAL 25 Ca 0.35 -0.17 -0.37 0.00 -0.01 0.00 0.00 64.34 64.14 1ujt n VAL 25 Cb 0.48 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 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 4.85 3.73 0.00 2.52 0.11 -1.26 -2.53 120.40 127.82 1ujt s VAL 26 Ca 0.92 -0.41 -0.25 0.00 -2.93 0.00 0.00 61.98 59.31 1ujt s VAL 26 Cb -0.52 -4.69 -0.18 0.00 -1.53 0.00 0.00 36.38 29.45 1ujt s VAL 26 CO 0.45 -1.60 1.34 -0.07 -3.33 0.00 0.00 175.10 171.89 1ujt h LEU 27 N 14.39 -0.08 -8.32 2.54 3.38 -1.89 -3.47 115.31 121.85 1ujt h LEU 27 Ca 0.07 -0.33 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 1ujt h LEU 27 Cb 1.03 0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.65 1ujt h LEU 27 CO 1.34 0.29 -0.68 0.42 0.09 0.00 0.00 178.44 179.90 1ujt s THR 28 N -4.68 0.29 -2.00 0.22 -4.23 -0.08 -5.01 115.64 100.15 1ujt s THR 28 Ca -0.15 -1.85 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1ujt s THR 28 Cb 0.03 -1.66 0.37 0.00 1.34 0.00 0.00 72.50 72.57 1ujt s THR 28 CO 0.64 -0.86 1.21 -0.81 -0.54 0.00 0.00 174.62 174.26 1ujt n PRO 29 N 0.04 0.49 0.00 3.99 -0.04 -1.26 -2.12 135.00 136.09 1ujt n PRO 29 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ujt n PRO 29 Cb 0.62 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.92 0.13 -3.66 0.52 -2.24 -1.26 -3.36 114.28 103.49 1ujt n THR 30 Ca 0.10 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1ujt n THR 30 Cb 0.05 1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 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 -0.13 -0.01 -0.02 4.28 2.01 -0.90 -2.76 115.64 118.12 1ujt s THR 31 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1ujt s THR 31 Cb 0.00 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 1ujt s THR 31 CO 0.00 0.01 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.09 1ujt s VAL 32 N 1.46 1.27 -0.05 3.82 1.01 -1.12 -0.90 120.40 125.88 1ujt s VAL 32 Ca -0.09 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 1ujt s VAL 32 Cb -0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1ujt s VAL 32 CO -0.16 0.36 0.70 -1.58 0.00 0.00 0.00 175.10 174.42 1ujt s GLN 33 N -0.33 4.44 -0.22 2.72 2.00 -1.05 -2.47 119.66 124.76 1ujt s GLN 33 Ca 0.05 0.89 -0.00 0.00 -2.00 0.00 0.00 55.36 54.30 1ujt s GLN 33 Cb -0.07 -3.44 0.02 0.00 0.80 0.00 0.00 33.01 30.33 1ujt s GLN 33 CO -0.00 0.10 -0.12 0.08 -0.50 0.00 0.00 175.29 174.84 1ujt s VAL 34 N 0.68 2.54 0.03 1.34 1.01 -0.51 -3.39 120.40 122.11 1ujt s VAL 34 Ca 0.37 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1ujt s VAL 34 Cb -0.18 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1ujt s VAL 34 CO 0.19 0.36 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 1ujt s THR 35 N 1.31 1.54 0.09 3.92 2.01 -1.26 -1.41 115.64 121.83 1ujt s THR 35 Ca 0.02 -1.07 -0.09 0.00 0.31 0.00 0.00 61.69 60.86 1ujt s THR 35 Cb -0.15 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.03 1ujt s THR 35 CO -0.08 0.23 0.21 -1.66 -0.69 0.00 0.00 174.62 172.63 1ujt s TRP 36 N -0.71 0.12 -0.03 4.92 -2.14 -0.91 -1.43 118.94 118.76 1ujt s TRP 36 Ca 0.07 -0.54 0.03 0.00 2.66 0.00 0.00 56.10 58.32 1ujt s TRP 36 Cb -0.08 -0.03 0.00 0.00 -3.10 0.00 0.00 33.47 30.26 1ujt s TRP 36 CO 0.01 -0.56 -0.11 0.95 -2.66 0.00 0.00 176.95 174.58 1ujt s THR 37 N -3.83 0.98 -0.10 0.66 -4.23 0.72 -4.79 115.64 105.04 1ujt s THR 37 Ca 0.05 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1ujt s THR 37 Cb 0.05 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 1ujt s THR 37 CO -0.11 0.30 -0.09 0.68 -0.54 0.00 0.00 174.62 174.86 1ujt s VAL 38 N 0.17 3.48 -0.06 2.29 -7.23 -1.26 -0.27 120.40 117.52 1ujt s VAL 38 Ca -0.04 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.34 1ujt s VAL 38 Cb -0.10 -2.44 -0.20 0.00 0.56 0.00 0.00 36.38 34.20 1ujt s VAL 38 CO 0.01 0.56 1.04 -0.78 -0.31 0.00 0.00 175.10 175.62 1ujt h ASP 39 N 5.93 -0.06 -2.93 4.85 1.82 -1.91 -3.38 116.42 120.75 1ujt h ASP 39 Ca -0.39 -0.55 -0.65 0.00 -0.39 0.00 0.00 57.03 55.04 1ujt h ASP 39 Cb 1.18 0.01 -0.39 0.00 0.68 0.00 0.00 39.33 40.82 1ujt h ASP 39 CO 0.55 0.56 -0.33 0.54 -1.61 0.00 0.00 179.24 178.95 1ujt n ARG 40 N -4.82 2.44 -1.34 0.28 1.74 -1.26 -5.05 116.66 108.65 1ujt n ARG 40 Ca -0.09 -4.54 -0.56 0.00 -0.77 0.00 0.00 57.85 51.90 1ujt n ARG 40 Cb 0.30 -2.34 -0.10 0.00 -1.02 0.00 0.00 32.46 29.31 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 1.74 0.45 -2.17 5.56 7.27 -1.26 -4.84 117.38 124.14 1ujt n GLN 41 Ca 0.23 0.12 -0.42 0.00 0.07 0.00 0.00 57.00 57.00 1ujt n GLN 41 Cb 0.37 -1.91 -0.03 0.00 2.41 0.00 0.00 30.24 31.08 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 6.15 4.25 -0.04 3.69 0.04 -1.26 -4.94 135.00 142.90 1ujt s PRO 42 Ca 1.16 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.97 1ujt s PRO 42 Cb -1.22 -3.65 -0.22 0.00 0.04 0.00 0.00 34.50 29.45 1ujt s PRO 42 CO 0.58 -0.65 1.11 1.96 0.04 0.00 0.00 177.00 180.04 1ujt h GLN 43 N 8.18 0.12 -0.84 4.56 4.20 -2.01 -3.26 115.11 126.05 1ujt h GLN 43 Ca -0.38 -0.10 0.14 0.00 0.06 0.00 0.00 58.65 58.37 1ujt h GLN 43 Cb 1.17 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.89 1ujt h GLN 43 CO 0.92 0.77 0.45 0.27 -0.67 0.00 0.00 178.83 180.57 1ujt h PHE 44 N -0.51 0.79 -0.92 2.96 -0.00 -1.96 -3.44 116.94 113.86 1ujt h PHE 44 Ca -0.01 0.03 -0.38 0.00 -0.00 0.00 0.00 57.97 57.61 1ujt h PHE 44 Cb 0.80 -0.22 0.09 0.00 -0.00 0.00 0.00 35.95 36.62 1ujt h PHE 44 CO 0.16 0.22 -0.52 1.51 -0.00 0.00 0.00 178.31 179.68 1ujt n ILE 45 N -4.84 0.58 -0.10 0.88 3.06 -1.23 -4.90 119.36 112.80 1ujt n ILE 45 Ca 0.16 -0.30 -0.11 0.00 -2.50 0.00 0.00 62.75 60.00 1ujt n ILE 45 Cb 0.40 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.44 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 0.85 0.00 9.51 1.13 -1.20 -4.93 117.38 123.50 1ujt n GLN 46 Ca 0.08 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1ujt n GLN 46 Cb 0.22 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.09 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 1.94 1.08 2.67 1.08 0.00 -1.22 -4.17 105.19 106.57 1ujt n GLY 47 Ca -0.33 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.93 0.42 -1.05 1.61 2.02 -1.26 -3.78 117.35 113.38 1ujt s TYR 48 Ca 0.00 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.16 1ujt s TYR 48 Cb 0.00 -0.75 0.09 0.00 -0.40 0.00 0.00 41.96 40.90 1ujt s TYR 48 CO 0.00 -0.47 1.39 0.50 -1.57 0.00 0.00 175.55 175.40 1ujt s ARG 49 N 2.06 3.69 -0.86 -0.62 3.52 -1.25 -2.92 118.95 122.57 1ujt s ARG 49 Ca 0.02 -1.56 -0.25 0.00 -0.13 0.00 0.00 55.73 53.81 1ujt s ARG 49 Cb -0.15 -5.22 -0.01 0.00 -1.56 0.00 0.00 34.95 28.00 1ujt s ARG 49 CO -0.07 -2.04 1.77 0.08 -0.81 0.00 0.00 175.30 174.22 1ujt s VAL 50 N 3.88 3.56 0.76 7.11 1.01 -0.98 -4.39 120.40 131.34 1ujt s VAL 50 Ca 0.43 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 1ujt s VAL 50 Cb -0.01 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.12 1ujt s VAL 50 CO -0.07 -1.23 1.14 -0.04 0.00 0.00 0.00 175.10 174.90 1ujt s MET 51 N 6.47 2.38 -0.26 2.72 -1.94 -1.25 -1.22 119.30 126.20 1ujt s MET 51 Ca 0.61 0.27 -0.28 0.00 -1.71 0.00 0.00 55.69 54.58 1ujt s MET 51 Cb -0.06 -1.99 0.17 0.00 2.01 0.00 0.00 34.83 34.96 1ujt s MET 51 CO 0.03 -1.33 1.26 1.52 -0.01 0.00 0.00 175.02 176.48 1ujt s TYR 52 N -3.47 -0.17 0.14 -0.03 1.13 -1.16 -3.82 117.35 109.96 1ujt s TYR 52 Ca 0.60 0.36 -0.24 0.00 -1.41 0.00 0.00 57.07 56.37 1ujt s TYR 52 Cb -0.11 0.46 0.07 0.00 -1.10 0.00 0.00 41.96 41.28 1ujt s TYR 52 CO 0.50 -0.13 0.75 -0.98 -2.51 0.00 0.00 175.55 173.19 1ujt s ARG 53 N -0.58 1.26 0.39 -3.49 1.70 -1.18 -1.40 118.95 115.65 1ujt s ARG 53 Ca 0.05 -0.56 -0.23 0.00 -0.47 0.00 0.00 55.73 54.52 1ujt s ARG 53 Cb -0.03 0.51 -0.11 0.00 -0.57 0.00 0.00 34.95 34.76 1ujt s ARG 53 CO -0.08 -0.56 0.94 -1.14 -1.08 0.00 0.00 175.30 173.39 1ujt s GLN 54 N -3.55 4.34 -0.19 3.89 0.74 -1.25 -2.42 119.66 121.21 1ujt s GLN 54 Ca 0.06 1.18 0.05 0.00 0.05 0.00 0.00 55.36 56.70 1ujt s GLN 54 Cb -0.02 -2.39 -0.15 0.00 1.10 0.00 0.00 33.01 31.55 1ujt s GLN 54 CO -0.05 0.08 -0.12 0.25 -0.55 0.00 0.00 175.29 174.89 1ujt n THR 55 N -0.24 1.16 -4.33 -0.34 -2.24 -1.14 -0.04 114.28 107.12 1ujt n THR 55 Ca 0.05 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 61.13 1ujt n THR 55 Cb 0.53 -1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 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 -5.72 2.50 0.00 3.42 0.15 -1.26 -4.38 113.70 108.41 1ujt s SER 56 Ca -0.22 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.46 1ujt s SER 56 Cb 0.06 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1ujt s SER 56 CO 0.53 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1ujt n GLY 57 N -0.15 0.60 0.20 9.45 0.00 -1.26 -4.33 105.19 109.70 1ujt n GLY 57 Ca -0.10 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 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 2.20 -0.77 0.99 -0.00 -1.26 -4.42 117.00 113.75 1ujt n LEU 58 Ca 0.00 0.13 0.01 0.00 -0.00 0.00 0.00 56.01 56.15 1ujt n LEU 58 Cb 0.00 -0.74 0.08 0.00 -0.00 0.00 0.00 43.42 42.76 1ujt n LEU 58 CO 0.00 0.65 0.37 0.00 -0.00 0.00 0.00 177.39 178.41 1ujt n GLN 59 N -3.71 1.72 -2.36 1.96 1.13 -1.26 -4.81 117.38 110.05 1ujt n GLN 59 Ca -0.44 -0.59 -0.39 0.00 -1.94 0.00 0.00 57.00 53.63 1ujt n GLN 59 Cb 0.87 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 29.55 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 -1.32 3.32 -0.78 -1.58 0.00 -1.26 -3.53 121.76 116.61 1ujt s ALA 60 Ca 0.10 0.97 -0.09 0.00 0.00 0.00 0.00 51.96 52.94 1ujt s ALA 60 Cb 0.08 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.92 1ujt s ALA 60 CO 0.03 -0.37 0.22 -2.37 0.00 0.00 0.00 175.76 173.28 1ujt n THR 61 N 0.67 -0.05 -0.12 0.00 5.66 0.95 -4.68 114.28 116.71 1ujt n THR 61 Ca 0.01 -0.03 -0.24 0.00 -3.05 0.00 0.00 64.05 60.75 1ujt n THR 61 Cb 0.45 -0.24 -0.11 0.00 -1.55 0.00 0.00 70.33 68.88 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 -0.63 1.97 -3.65 1.09 2.88 -1.23 -5.00 113.62 109.05 1ujt n SER 62 Ca 0.03 0.17 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1ujt n SER 62 Cb 0.20 -0.69 -0.05 0.00 -0.75 0.00 0.00 64.21 62.92 1ujt n SER 62 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujt s SER 63 N -7.04 -1.03 0.59 -3.46 0.01 -1.26 -5.16 113.70 96.35 1ujt s SER 63 Ca -0.35 1.51 -0.16 0.00 1.31 0.00 0.00 55.95 58.27 1ujt s SER 63 Cb 0.11 1.96 -0.04 0.00 0.21 0.00 0.00 66.02 68.26 1ujt s SER 63 CO 0.57 -0.23 1.06 0.26 0.41 0.00 0.00 173.24 175.31 1ujt s TRP 64 N 2.50 3.00 0.43 2.43 0.52 -1.26 -4.79 118.94 121.76 1ujt s TRP 64 Ca -0.07 1.51 0.06 0.00 0.02 0.00 0.00 56.10 57.63 1ujt s TRP 64 Cb -0.10 -3.00 -0.05 0.00 -1.15 0.00 0.00 33.47 29.16 1ujt s TRP 64 CO -0.19 -1.10 0.11 -0.65 0.02 0.00 0.00 176.95 175.14 1ujt s GLN 65 N -4.06 2.12 -0.13 4.98 -0.21 -0.50 -4.96 119.66 116.90 1ujt s GLN 65 Ca 0.64 -2.02 -0.06 0.00 0.02 0.00 0.00 55.36 53.94 1ujt s GLN 65 Cb -0.16 -1.81 0.06 0.00 1.00 0.00 0.00 33.01 32.10 1ujt s GLN 65 CO 0.37 -0.14 0.30 0.54 -2.12 0.00 0.00 175.29 174.23 1ujt s ASN 66 N -3.84 -0.19 -0.47 5.90 2.20 -1.26 -2.99 114.94 114.28 1ujt s ASN 66 Ca 0.35 0.65 0.04 0.00 -0.94 0.00 0.00 52.86 52.95 1ujt s ASN 66 Cb 0.06 0.60 0.12 0.00 -2.00 0.00 0.00 41.25 40.03 1ujt s ASN 66 CO 0.19 -0.19 0.21 -0.22 -2.94 0.00 0.00 177.10 174.14 1ujt s LEU 67 N 1.61 4.12 -0.03 3.54 2.96 -0.36 -4.94 118.68 125.58 1ujt s LEU 67 Ca -0.07 -2.75 -0.30 0.00 -0.22 0.00 0.00 54.13 50.80 1ujt s LEU 67 Cb -0.10 -1.53 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 1ujt s LEU 67 CO -0.10 -0.27 1.63 1.51 -1.32 0.00 0.00 176.35 177.80 1ujt s ASP 68 N 0.09 6.68 0.37 3.68 -4.77 -1.26 -2.32 116.67 119.14 1ujt s ASP 68 Ca 0.16 2.25 0.20 0.00 -3.30 0.00 0.00 52.55 51.86 1ujt s ASP 68 Cb -0.24 -2.54 0.48 0.00 -1.09 0.00 0.00 42.92 39.53 1ujt s ASP 68 CO -0.02 -0.90 1.64 0.00 0.70 0.00 0.00 175.17 176.58 1ujt h ALA 69 N 9.19 0.87 -4.07 2.11 0.00 -1.94 -3.47 119.26 121.95 1ujt h ALA 69 Ca -0.39 -0.29 -0.39 0.00 0.00 0.00 0.00 54.91 53.83 1ujt h ALA 69 Cb 1.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ujt h ALA 69 CO 0.95 0.40 -0.55 1.63 0.00 0.00 0.00 179.25 181.67 1ujt n LYS 70 N -3.29 -3.52 -3.15 0.00 5.02 -1.26 -4.94 118.16 107.02 1ujt n LYS 70 Ca 0.01 0.87 0.05 0.00 -2.02 0.00 0.00 58.31 57.22 1ujt n LYS 70 Cb 0.57 -5.63 -0.01 0.00 -0.02 0.00 0.00 35.03 29.94 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 -3.06 -0.56 0.10 -0.18 0.11 -1.26 -5.02 120.40 110.52 1ujt s VAL 71 Ca 0.19 0.00 0.34 0.00 -2.93 0.00 0.00 61.98 59.58 1ujt s VAL 71 Cb -0.09 -0.92 0.39 0.00 -1.53 0.00 0.00 36.38 34.23 1ujt s VAL 71 CO 0.24 0.00 1.99 1.55 -3.33 0.00 0.00 175.10 175.55 1ujt h PRO 72 N 7.92 0.00 -0.88 1.54 0.13 -1.90 -2.78 132.00 136.03 1ujt h PRO 72 Ca -0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1ujt h PRO 72 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ujt h PRO 72 CO 0.02 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.05 1ujt n THR 73 N -3.04 0.86 -4.26 1.56 -2.24 -1.26 -4.76 114.28 101.13 1ujt n THR 73 Ca 0.01 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1ujt n THR 73 Cb 0.29 -0.44 -0.17 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.52 1.52 -0.21 -0.78 2.02 -1.05 -5.01 118.70 113.67 1ujt s GLU 74 Ca 0.16 -0.31 0.14 0.00 0.02 0.00 0.00 54.97 54.99 1ujt s GLU 74 Cb 0.13 -1.41 0.47 0.00 0.10 0.00 0.00 34.13 33.42 1ujt s GLU 74 CO 0.05 -0.10 1.38 0.54 0.02 0.00 0.00 175.26 177.14 1ujt n ARG 75 N 4.29 2.17 -3.83 1.61 3.00 -1.26 -4.94 116.66 117.70 1ujt n ARG 75 Ca -0.19 -2.94 -0.13 0.00 -0.01 0.00 0.00 57.85 54.58 1ujt n ARG 75 Cb 0.51 -1.76 -0.15 0.00 0.00 0.00 0.00 32.46 31.06 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ujt s SER 76 N -2.39 0.01 0.11 0.55 1.04 -1.26 -2.14 113.70 109.62 1ujt s SER 76 Ca 0.41 0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.83 1ujt s SER 76 Cb 0.35 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1ujt s SER 76 CO 0.04 -0.05 0.12 0.00 0.98 0.00 0.00 173.24 174.32 1ujt s ALA 77 N 0.40 0.35 -0.07 5.32 0.00 -0.50 -5.02 121.76 122.24 1ujt s ALA 77 Ca -0.03 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1ujt s ALA 77 Cb -0.05 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1ujt s ALA 77 CO -0.01 -0.50 -0.19 0.08 0.00 0.00 0.00 175.76 175.14 1ujt s VAL 78 N -3.96 1.63 -0.41 0.00 1.01 -1.26 -1.42 120.40 115.99 1ujt s VAL 78 Ca 0.14 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 1ujt s VAL 78 Cb 0.06 -1.41 0.06 0.00 0.00 0.00 0.00 36.38 35.08 1ujt s VAL 78 CO -0.04 0.46 0.25 -0.76 0.00 0.00 0.00 175.10 175.01 1ujt s LEU 79 N 0.24 5.02 0.67 3.92 1.43 -1.03 -5.00 118.68 123.94 1ujt s LEU 79 Ca -0.11 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.73 1ujt s LEU 79 Cb -0.15 -2.02 0.11 0.00 0.03 0.00 0.00 46.19 44.17 1ujt s LEU 79 CO 0.05 -0.49 0.92 0.68 0.23 0.00 0.00 176.35 177.74 1ujt s VAL 80 N 1.49 2.14 -1.19 -1.59 -7.23 -1.26 -2.79 120.40 109.97 1ujt s VAL 80 Ca 0.02 -0.74 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1ujt s VAL 80 Cb -0.22 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 1ujt s VAL 80 CO 0.04 0.00 0.85 0.59 -0.31 0.00 0.00 175.10 176.27 1ujt n ASN 81 N -2.63 -3.34 -4.85 4.85 5.03 -1.15 -4.95 115.26 108.22 1ujt n ASN 81 Ca 0.15 -0.76 -0.21 0.00 0.87 0.00 0.00 54.58 54.63 1ujt n ASN 81 Cb 0.61 -4.56 -0.04 0.00 -1.02 0.00 0.00 39.78 34.77 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ujt s LEU 82 N -6.23 3.58 0.42 3.41 1.43 -1.11 -5.06 118.68 115.12 1ujt s LEU 82 Ca 0.18 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1ujt s LEU 82 Cb -0.04 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1ujt s LEU 82 CO 0.78 -0.37 0.68 -0.54 0.23 0.00 0.00 176.35 177.13 1ujt s LYS 83 N -4.00 3.54 -0.19 1.70 -0.14 -1.26 -4.50 119.74 114.88 1ujt s LYS 83 Ca 0.41 -0.00 -0.06 0.00 -1.36 0.00 0.00 55.97 54.97 1ujt s LYS 83 Cb -0.06 -2.50 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 1ujt s LYS 83 CO 0.27 -0.04 0.02 0.15 -0.76 0.00 0.00 175.35 174.98 1ujt s LYS 84 N -4.47 3.74 0.00 1.68 3.01 -1.21 -4.54 119.74 117.94 1ujt s LYS 84 Ca 0.45 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.94 1ujt s LYS 84 Cb -0.10 -3.11 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 1ujt s LYS 84 CO 0.40 0.11 0.00 0.41 0.51 0.00 0.00 175.35 176.78 1ujt n GLY 85 N 3.97 0.68 3.54 -3.33 0.00 0.36 -4.94 105.19 105.47 1ujt n GLY 85 Ca -0.17 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.86 0.00 0.12 1.61 0.11 -1.15 -4.94 120.40 113.30 1ujt s VAL 86 Ca 0.00 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 1ujt s VAL 86 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 1ujt s VAL 86 CO 0.00 0.00 0.64 -0.89 -3.33 0.00 0.00 175.10 171.52 1ujt s THR 87 N -2.18 4.63 -0.09 5.04 2.01 -1.26 -0.60 115.64 123.18 1ujt s THR 87 Ca 0.02 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.34 1ujt s THR 87 Cb -0.01 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1ujt s THR 87 CO -0.04 0.47 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.95 1ujt s TYR 88 N -1.21 1.49 -0.32 4.92 2.02 0.35 -2.88 117.35 121.71 1ujt s TYR 88 Ca 0.33 -0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 1ujt s TYR 88 Cb -0.20 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 1ujt s TYR 88 CO 0.21 -0.39 0.35 -2.00 -1.57 0.00 0.00 175.55 172.15 1ujt s GLU 89 N 1.15 3.73 0.03 -0.62 2.12 -1.02 -0.28 118.70 123.82 1ujt s GLU 89 Ca -0.05 -0.27 0.06 0.00 0.36 0.00 0.00 54.97 55.07 1ujt s GLU 89 Cb -0.14 -3.75 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 1ujt s GLU 89 CO -0.02 -0.42 -0.17 0.42 -0.54 0.00 0.00 175.26 174.52 1ujt s ILE 90 N 2.02 1.39 0.20 -3.70 1.09 -0.76 -3.11 121.20 118.33 1ujt s ILE 90 Ca 0.12 -1.01 0.04 0.00 -1.10 0.00 0.00 60.65 58.71 1ujt s ILE 90 Cb -0.16 -1.21 -0.02 0.00 -1.06 0.00 0.00 42.46 40.01 1ujt s ILE 90 CO 0.11 0.18 0.16 2.29 -0.10 0.00 0.00 174.94 177.58 1ujt n LYS 91 N 2.07 0.28 -3.85 2.79 -0.00 -1.25 -1.74 118.16 116.45 1ujt n LYS 91 Ca -0.17 -1.99 -0.12 0.00 -0.00 0.00 0.00 58.31 56.03 1ujt n LYS 91 Cb 0.54 1.58 -0.14 0.00 -0.00 0.00 0.00 35.03 37.01 1ujt n LYS 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ujt s VAL 92 N -2.78 -0.01 -0.11 0.58 1.01 -1.26 -3.88 120.40 113.96 1ujt s VAL 92 Ca 0.23 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1ujt s VAL 92 Cb 0.01 -0.04 0.05 0.00 0.00 0.00 0.00 36.38 36.41 1ujt s VAL 92 CO 0.16 0.01 0.22 -0.13 0.00 0.00 0.00 175.10 175.36 1ujt s ARG 93 N 0.13 0.11 -0.56 2.72 0.52 -1.26 -1.40 118.95 119.20 1ujt s ARG 93 Ca -0.01 0.63 -0.27 0.00 -0.52 0.00 0.00 55.73 55.56 1ujt s ARG 93 Cb -0.01 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.30 1ujt s ARG 93 CO -0.00 -0.27 1.84 -1.25 0.02 0.00 0.00 175.30 175.63 1ujt s PRO 94 N 2.16 2.76 -0.12 3.54 0.04 -1.26 -3.80 135.00 138.32 1ujt s PRO 94 Ca 0.00 0.74 -0.06 0.00 0.04 0.00 0.00 61.00 61.72 1ujt s PRO 94 Cb -0.12 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 1ujt s PRO 94 CO -0.07 -2.57 0.09 1.52 0.04 0.00 0.00 177.00 176.01 1ujt s TYR 95 N 8.64 3.44 -0.17 0.56 -0.85 -1.25 -0.19 117.35 127.54 1ujt s TYR 95 Ca 0.69 0.40 -0.15 0.00 -0.52 0.00 0.00 57.07 57.48 1ujt s TYR 95 Cb -0.14 -1.91 -0.05 0.00 0.38 0.00 0.00 41.96 40.24 1ujt s TYR 95 CO 0.23 0.61 -0.30 0.34 -1.52 0.00 0.00 175.55 174.91 1ujt n PHE 96 N 2.18 0.27 0.06 -3.49 7.35 -1.25 -3.27 117.46 119.31 1ujt n PHE 96 Ca -0.19 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.62 1ujt n PHE 96 Cb 0.54 -0.58 0.00 0.00 0.35 0.00 0.00 39.48 39.79 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 -4.51 0.87 0.00 -2.13 5.03 -1.26 -4.24 115.26 109.02 1ujt n ASN 97 Ca -0.12 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.51 1ujt n ASN 97 Cb 0.45 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1ujt n GLU 98 N -3.43 0.19 -0.99 3.52 0.28 -1.26 -5.10 120.64 113.86 1ujt n GLU 98 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 1ujt n GLU 98 Cb 0.00 -0.69 0.22 0.00 1.43 0.00 0.00 31.44 32.41 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 -1.37 1.13 -0.23 -1.84 -0.71 -1.26 -5.05 117.98 108.64 1ujt s PHE 99 Ca 0.00 0.76 -0.03 0.00 -1.04 0.00 0.00 56.93 56.62 1ujt s PHE 99 Cb 0.00 -3.29 0.07 0.00 -1.21 0.00 0.00 43.02 38.59 1ujt s PHE 99 CO 0.00 -3.62 0.07 1.14 -1.34 0.00 0.00 175.22 171.47 1ujt s GLN 100 N -5.09 0.49 0.96 1.99 0.00 -1.26 -3.86 119.66 112.88 1ujt s GLN 100 Ca 0.68 -0.50 -0.12 0.00 -0.00 0.00 0.00 55.36 55.43 1ujt s GLN 100 Cb -0.15 -1.89 0.18 0.00 0.00 0.00 0.00 33.01 31.15 1ujt s GLN 100 CO 0.58 -0.77 0.39 0.41 0.00 0.00 0.00 175.29 175.90 1ujt n GLY 101 N 5.09 -2.37 2.76 2.60 0.00 0.73 -4.73 105.19 109.26 1ujt n GLY 101 Ca -0.07 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1ujt n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujt n MET 102 N -1.61 0.00 -3.59 1.61 2.81 -1.26 -4.39 117.12 110.69 1ujt n MET 102 Ca 0.06 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.58 1ujt n MET 102 Cb 0.28 -0.81 -0.06 0.00 -0.71 0.00 0.00 33.22 31.92 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ujt s ASP 103 N -0.81 6.71 0.58 7.83 -4.77 -1.26 -4.21 116.67 120.74 1ujt s ASP 103 Ca 0.52 0.85 -0.07 0.00 -3.30 0.00 0.00 52.55 50.55 1ujt s ASP 103 Cb -0.75 -2.21 -0.01 0.00 -1.09 0.00 0.00 42.92 38.86 1ujt s ASP 103 CO 0.46 0.34 0.91 -0.94 0.70 0.00 0.00 175.17 176.63 1ujt s SER 104 N -1.09 5.83 -0.01 2.11 1.04 -0.49 -4.90 113.70 116.19 1ujt s SER 104 Ca 0.22 0.90 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 1ujt s SER 104 Cb -0.16 -1.97 -0.08 0.00 0.10 0.00 0.00 66.02 63.92 1ujt s SER 104 CO 0.11 -0.94 1.99 -1.83 0.98 0.00 0.00 173.24 173.55 1ujt s GLU 105 N -4.99 3.99 -0.28 4.02 1.03 -1.26 -4.55 118.70 116.66 1ujt s GLU 105 Ca 0.53 2.50 -0.29 0.00 0.03 0.00 0.00 54.97 57.74 1ujt s GLU 105 Cb -0.11 -4.19 -0.02 0.00 -0.80 0.00 0.00 34.13 29.01 1ujt s GLU 105 CO 0.47 -1.13 1.75 -1.12 -1.33 0.00 0.00 175.26 173.90 1ujt s SER 106 N 4.98 6.06 -0.01 0.83 0.01 -1.26 -4.65 113.70 119.65 1ujt s SER 106 Ca 0.90 1.46 -0.15 0.00 1.31 0.00 0.00 55.95 59.46 1ujt s SER 106 Cb -0.41 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.24 1ujt s SER 106 CO 0.40 -1.55 0.41 -0.54 0.41 0.00 0.00 173.24 172.38 1ujt s LYS 107 N 5.31 3.97 -0.14 12.44 -0.14 -0.71 -4.86 119.74 135.61 1ujt s LYS 107 Ca 0.78 0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 55.69 1ujt s LYS 107 Cb -0.24 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 32.62 1ujt s LYS 107 CO 0.33 0.63 0.23 0.95 -0.76 0.00 0.00 175.35 176.73 1ujt s THR 108 N -0.89 5.34 -0.20 2.17 -4.23 -1.26 -1.83 115.64 114.75 1ujt s THR 108 Ca 0.24 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1ujt s THR 108 Cb -0.16 -3.55 0.04 0.00 1.34 0.00 0.00 72.50 70.17 1ujt s THR 108 CO 0.13 0.48 -0.12 0.54 -0.54 0.00 0.00 174.62 175.11 1ujt s VAL 109 N -0.11 1.73 -0.32 2.29 0.11 0.61 -4.83 120.40 119.88 1ujt s VAL 109 Ca 0.15 -1.01 -0.22 0.00 -2.93 0.00 0.00 61.98 57.98 1ujt s VAL 109 Cb -0.13 -1.75 -0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1ujt s VAL 109 CO 0.04 0.24 0.71 -0.60 -3.33 0.00 0.00 175.10 172.15 1ujt s ARG 110 N 1.37 3.88 -0.60 1.54 3.52 -1.26 -0.50 118.95 126.90 1ujt s ARG 110 Ca -0.00 0.38 -0.28 0.00 -0.13 0.00 0.00 55.73 55.69 1ujt s ARG 110 Cb -0.16 -3.75 0.03 0.00 -1.56 0.00 0.00 34.95 29.51 1ujt s ARG 110 CO -0.09 -0.66 1.23 0.95 -0.81 0.00 0.00 175.30 175.92 1ujt s THR 111 N 2.80 3.95 1.14 4.11 -4.23 0.23 -4.90 115.64 118.74 1ujt s THR 111 Ca 0.28 0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 61.43 1ujt s THR 111 Cb -0.14 -4.72 0.15 0.00 1.34 0.00 0.00 72.50 69.13 1ujt s THR 111 CO 0.13 -1.39 0.17 1.07 -0.54 0.00 0.00 174.62 174.06 1ujt n THR 112 N 6.66 0.00 -0.03 3.99 5.66 -1.26 0.14 114.28 129.43 1ujt n THR 112 Ca 0.08 -0.26 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 1ujt n THR 112 Cb 0.49 -0.64 -0.04 0.00 -1.55 0.00 0.00 70.33 68.59 1ujt n THR 112 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ujt n GLU 113 N -2.48 1.39 -3.64 1.09 -0.58 -1.26 -3.10 120.64 112.06 1ujt n GLU 113 Ca 0.02 0.02 -0.39 0.00 -0.42 0.00 0.00 57.16 56.39 1ujt n GLU 113 Cb 0.58 -1.15 -0.10 0.00 -0.57 0.00 0.00 31.44 30.20 1ujt n GLU 113 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1ujt s GLU 114 N -2.14 2.48 -0.05 3.49 2.02 -1.26 -5.01 118.70 118.23 1ujt s GLU 114 Ca -0.07 -1.56 0.02 0.00 0.02 0.00 0.00 54.97 53.39 1ujt s GLU 114 Cb 0.02 -3.74 0.01 0.00 0.10 0.00 0.00 34.13 30.52 1ujt s GLU 114 CO 0.19 -0.99 -0.10 0.45 0.02 0.00 0.00 175.26 174.83 1ujt s SER 115 N 2.12 1.51 0.00 -0.19 0.15 -1.26 -5.03 113.70 111.00 1ujt s SER 115 Ca 0.04 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1ujt s SER 115 Cb -0.23 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 1ujt s SER 115 CO 0.00 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1ujt n GLY 116 N 3.68 -1.29 3.56 9.45 0.00 -1.26 -5.07 105.19 114.26 1ujt n GLY 116 Ca -0.22 0.54 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 2.58 0.14 1.61 0.04 -1.26 -4.89 135.00 133.22 1ujt s PRO 117 Ca 0.00 0.01 -0.19 0.00 0.04 0.00 0.00 61.00 60.86 1ujt s PRO 117 Cb 0.00 -4.84 0.05 0.00 0.04 0.00 0.00 34.50 29.75 1ujt s PRO 117 CO 0.00 -3.16 0.48 0.45 0.04 0.00 0.00 177.00 174.82 1ujt s SER 118 N 8.05 -0.37 -0.21 6.66 0.15 -1.26 -5.17 113.70 121.54 1ujt s SER 118 Ca 0.69 -0.20 -0.15 0.00 0.70 0.00 0.00 55.95 56.99 1ujt s SER 118 Cb -0.09 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 64.81 1ujt s SER 118 CO 0.06 -0.91 0.54 -0.94 1.20 0.00 0.00 173.24 173.20 1ujt s SER 119 N -2.78 -0.64 0.00 5.45 1.04 -1.26 -5.28 113.70 110.22 1ujt s SER 119 Ca 0.02 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.59 1ujt s SER 119 Cb 0.01 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1ujt s SER 119 CO -0.12 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.51