#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujt s SER 2 N 0.00 -0.13 0.42 1.61 0.15 -1.26 -5.16 113.70 109.33 1ujt s SER 2 Ca 0.00 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.40 1ujt s SER 2 Cb 0.00 0.77 -0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1ujt s SER 2 CO 0.00 -0.21 0.62 -0.94 1.20 0.00 0.00 173.24 173.91 1ujt s SER 3 N 1.91 5.81 0.00 5.45 1.04 -1.26 -4.96 113.70 121.70 1ujt s SER 3 Ca -0.05 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1ujt s SER 3 Cb -0.11 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.66 1ujt s SER 3 CO -0.10 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1ujt n GLY 4 N -1.97 -1.33 1.97 7.32 0.00 -1.26 -4.98 105.19 104.94 1ujt n GLY 4 Ca 0.02 0.57 -0.16 0.00 0.00 0.00 0.00 46.02 46.45 1ujt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujt n SER 5 N -2.93 6.15 -4.71 1.61 7.64 -1.26 -4.96 113.62 115.16 1ujt n SER 5 Ca 0.00 -2.92 -0.43 0.00 1.01 0.00 0.00 58.87 56.53 1ujt n SER 5 Cb 0.00 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 1ujt n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujt n SER 6 N 0.89 3.51 0.00 6.43 2.88 -1.26 -4.77 113.62 121.31 1ujt n SER 6 Ca 0.30 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1ujt n SER 6 Cb 0.59 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1ujt n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujt n GLY 7 N 2.69 -0.03 0.13 0.46 0.00 -1.26 -5.08 105.19 102.10 1ujt n GLY 7 Ca 0.12 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 0.65 0.14 1.61 1.74 -1.26 -4.33 116.66 115.21 1ujt n ARG 8 Ca 0.00 0.16 0.13 0.00 -0.77 0.00 0.00 57.85 57.37 1ujt n ARG 8 Cb 0.00 -1.52 0.46 0.00 -1.02 0.00 0.00 32.46 30.38 1ujt n ARG 8 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 1ujt h GLN 9 N -0.08 0.00 -0.19 5.56 4.15 -1.98 -3.35 115.11 119.22 1ujt h GLN 9 Ca -0.59 0.00 0.02 0.00 0.77 0.00 0.00 58.65 58.85 1ujt h GLN 9 Cb 1.88 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.54 1ujt h GLN 9 CO -0.11 0.00 -0.12 0.28 -1.93 0.00 0.00 178.83 176.94 1ujt h VAL 10 N 0.00 0.00 -0.20 2.39 2.07 -1.99 0.64 116.25 119.17 1ujt h VAL 10 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1ujt h VAL 10 Cb 0.54 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1ujt h VAL 10 CO 0.00 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.71 1ujt n GLN 11 N -3.43 1.37 0.00 1.57 6.02 -1.26 -2.18 117.38 119.47 1ujt n GLN 11 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 1ujt n GLN 11 Cb 0.06 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.14 3.06 -0.06 -1.09 3.00 0.18 -4.86 118.16 118.53 1ujt n LYS 12 Ca 0.12 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.34 1ujt n LYS 12 Cb 0.70 -0.89 -0.06 0.00 0.00 0.00 0.00 35.03 34.78 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 -1.65 0.32 -0.06 1.64 4.07 0.13 -4.42 120.64 120.67 1ujt n GLU 13 Ca 0.00 0.07 -0.02 0.00 -0.06 0.00 0.00 57.16 57.16 1ujt n GLU 13 Cb 0.38 -1.26 -0.01 0.00 -0.06 0.00 0.00 31.44 30.49 1ujt n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ujt n LEU 14 N -2.88 -0.15 0.48 4.31 7.94 -0.92 -0.11 117.00 125.65 1ujt n LEU 14 Ca -0.23 0.82 -0.20 0.00 -1.11 0.00 0.00 56.01 55.30 1ujt n LEU 14 Cb 0.74 -0.32 -0.10 0.00 0.53 0.00 0.00 43.42 44.28 1ujt n LEU 14 CO 0.13 -0.49 0.57 1.23 -1.11 0.00 0.00 177.39 177.72 1ujt h GLY 15 N 0.00 -1.25 -1.34 -3.96 0.00 -1.85 -2.66 103.07 92.01 1ujt h GLY 15 Ca 0.02 0.46 0.46 0.00 0.00 0.00 0.00 47.33 48.27 1ujt h GLY 15 CO -0.14 -0.45 0.87 1.22 0.00 0.00 0.00 176.54 178.04 1ujt n ASP 16 N -5.60 0.19 -4.65 0.19 9.92 -0.66 -4.45 116.55 111.48 1ujt n ASP 16 Ca -0.16 1.29 -0.54 0.00 -0.53 0.00 0.00 54.79 54.85 1ujt n ASP 16 Cb 0.48 -0.63 -0.06 0.00 -0.64 0.00 0.00 41.12 40.26 1ujt n ASP 16 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1ujt n VAL 17 N -4.56 0.17 -3.53 2.53 0.31 0.84 -4.92 118.33 109.17 1ujt n VAL 17 Ca 0.38 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 64.27 1ujt n VAL 17 Cb 1.51 -1.09 -0.08 0.00 -0.91 0.00 0.00 33.84 33.28 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 2.03 5.78 0.18 7.52 1.98 -1.26 -4.89 118.68 130.02 1ujt s LEU 18 Ca 0.91 -2.02 -0.11 0.00 -2.89 0.00 0.00 54.13 50.02 1ujt s LEU 18 Cb -0.98 -2.03 -0.07 0.00 0.66 0.00 0.00 46.19 43.78 1ujt s LEU 18 CO 0.55 -0.68 0.52 -0.69 -1.89 0.00 0.00 176.35 174.16 1ujt s VAL 19 N 1.21 4.94 -0.44 1.68 1.01 -1.26 -1.75 120.40 125.79 1ujt s VAL 19 Ca 0.07 0.55 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1ujt s VAL 19 Cb -0.25 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.61 1ujt s VAL 19 CO -0.01 0.08 0.24 -0.13 0.00 0.00 0.00 175.10 175.28 1ujt s ARG 20 N -2.43 1.31 -0.06 2.72 0.52 0.20 -4.77 118.95 116.44 1ujt s ARG 20 Ca 0.42 -2.04 -0.29 0.00 -0.52 0.00 0.00 55.73 53.30 1ujt s ARG 20 Cb -0.13 -2.35 -0.08 0.00 0.52 0.00 0.00 34.95 32.91 1ujt s ARG 20 CO 0.20 -1.17 2.07 -0.11 0.02 0.00 0.00 175.30 176.32 1ujt n LEU 21 N 3.50 3.83 -4.81 2.53 0.00 -1.26 -1.92 117.00 118.86 1ujt n LEU 21 Ca 0.09 0.63 -0.35 0.00 0.00 0.00 0.00 56.01 56.38 1ujt n LEU 21 Cb 0.35 -1.54 -0.06 0.00 0.00 0.00 0.00 43.42 42.16 1ujt n LEU 21 CO 0.24 -0.14 0.55 -1.00 0.00 0.00 0.00 177.39 177.04 1ujt s HIS 22 N 5.97 3.51 -0.25 1.96 3.76 0.23 -4.94 115.29 125.53 1ujt s HIS 22 Ca 0.94 1.52 -0.42 0.00 -0.15 0.00 0.00 55.06 56.95 1ujt s HIS 22 Cb -0.40 -2.75 -0.18 0.00 1.11 0.00 0.00 32.58 30.37 1ujt s HIS 22 CO 0.39 0.12 1.52 0.27 -0.85 0.00 0.00 174.74 176.20 1ujt n ASN 23 N 0.06 1.46 -4.57 1.40 0.23 -1.26 -4.14 115.26 108.44 1ujt n ASN 23 Ca 0.03 1.14 -0.28 0.00 -0.53 0.00 0.00 54.58 54.94 1ujt n ASN 23 Cb 0.52 -1.02 -0.06 0.00 -2.08 0.00 0.00 39.78 37.14 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ujt s PRO 24 N 2.29 2.50 -0.26 -0.53 0.04 -1.26 -4.65 135.00 133.13 1ujt s PRO 24 Ca 0.97 -0.91 -0.38 0.00 0.04 0.00 0.00 61.00 60.72 1ujt s PRO 24 Cb -1.24 -5.19 -0.14 0.00 0.04 0.00 0.00 34.50 27.97 1ujt s PRO 24 CO 0.67 -3.82 1.86 0.28 0.04 0.00 0.00 177.00 176.03 1ujt n VAL 25 N 7.83 0.34 -2.66 -0.36 0.31 -1.09 -4.75 118.33 117.96 1ujt n VAL 25 Ca 0.43 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 64.24 1ujt n VAL 25 Cb 0.47 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 31.95 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 4.39 4.15 0.01 2.52 0.11 -1.26 -2.40 120.40 127.91 1ujt s VAL 26 Ca 1.00 0.79 -0.13 0.00 -2.93 0.00 0.00 61.98 60.71 1ujt s VAL 26 Cb -0.97 -4.65 -0.33 0.00 -1.53 0.00 0.00 36.38 28.90 1ujt s VAL 26 CO 0.60 -1.22 0.90 -0.07 -3.33 0.00 0.00 175.10 171.98 1ujt h LEU 27 N 11.55 0.71 -7.62 2.54 3.38 -1.90 -3.48 115.31 120.49 1ujt h LEU 27 Ca -0.25 -0.86 -0.08 0.00 0.09 0.00 0.00 57.88 56.79 1ujt h LEU 27 Cb 1.06 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.44 1ujt h LEU 27 CO 1.15 1.69 -0.25 0.42 0.09 0.00 0.00 178.44 181.54 1ujt s THR 28 N -2.60 0.11 -2.00 0.22 -4.23 -0.29 -5.01 115.64 101.84 1ujt s THR 28 Ca -0.11 -0.87 0.15 0.00 -1.18 0.00 0.00 61.69 59.68 1ujt s THR 28 Cb 0.05 -1.19 0.42 0.00 1.34 0.00 0.00 72.50 73.12 1ujt s THR 28 CO 0.91 -0.48 1.30 -0.81 -0.54 0.00 0.00 174.62 174.99 1ujt n PRO 29 N 0.05 0.49 0.00 3.99 -0.04 -1.26 -2.39 135.00 135.83 1ujt n PRO 29 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1ujt n PRO 29 Cb 0.62 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.97 0.00 -3.82 0.52 -2.24 -1.26 -3.45 114.28 103.06 1ujt n THR 30 Ca 0.11 -0.07 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1ujt n THR 30 Cb 0.05 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.44 -0.03 -0.01 4.28 2.01 -1.01 -1.10 115.64 118.35 1ujt s THR 31 Ca 0.00 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1ujt s THR 31 Cb 0.00 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.44 1ujt s THR 31 CO 0.00 0.04 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.14 1ujt s VAL 32 N 0.53 1.16 -0.25 3.82 1.01 -1.06 -1.13 120.40 124.48 1ujt s VAL 32 Ca -0.04 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1ujt s VAL 32 Cb -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1ujt s VAL 32 CO -0.02 0.32 0.25 -1.58 0.00 0.00 0.00 175.10 174.07 1ujt s GLN 33 N -0.37 4.05 -0.07 2.72 0.74 -1.01 -1.80 119.66 123.92 1ujt s GLN 33 Ca 0.06 -0.14 -0.04 0.00 0.05 0.00 0.00 55.36 55.28 1ujt s GLN 33 Cb -0.06 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1ujt s GLN 33 CO -0.01 -0.07 0.12 0.08 -0.55 0.00 0.00 175.29 174.87 1ujt s VAL 34 N 1.45 5.23 0.02 1.34 1.01 -0.64 -2.66 120.40 126.14 1ujt s VAL 34 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1ujt s VAL 34 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 1ujt s VAL 34 CO 0.08 0.51 -0.04 -0.89 0.00 0.00 0.00 175.10 174.76 1ujt s THR 35 N -1.11 0.19 0.01 3.92 2.01 -1.26 -1.90 115.64 117.50 1ujt s THR 35 Ca 0.19 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 1ujt s THR 35 Cb -0.12 -0.30 0.06 0.00 0.01 0.00 0.00 72.50 72.15 1ujt s THR 35 CO 0.09 -0.37 0.58 -1.66 -0.69 0.00 0.00 174.62 172.57 1ujt s TRP 36 N -1.15 -0.51 -0.01 4.92 -2.14 -0.89 0.76 118.94 119.91 1ujt s TRP 36 Ca -0.11 0.73 0.04 0.00 2.66 0.00 0.00 56.10 59.42 1ujt s TRP 36 Cb -0.08 0.36 -0.01 0.00 -3.10 0.00 0.00 33.47 30.64 1ujt s TRP 36 CO -0.01 -0.62 -0.14 -0.08 -2.66 0.00 0.00 176.95 173.45 1ujt s THR 37 N -1.86 1.09 -0.07 0.66 -1.32 -0.81 -4.81 115.64 108.51 1ujt s THR 37 Ca -0.08 -0.59 0.03 0.00 -1.21 0.00 0.00 61.69 59.84 1ujt s THR 37 Cb -0.01 -0.92 -0.02 0.00 -1.51 0.00 0.00 72.50 70.04 1ujt s THR 37 CO 0.03 0.31 -0.15 0.68 -2.21 0.00 0.00 174.62 173.29 1ujt s VAL 38 N -0.27 3.00 -0.02 5.08 -7.23 -1.26 0.60 120.40 120.30 1ujt s VAL 38 Ca 0.04 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.25 1ujt s VAL 38 Cb -0.06 -2.20 -0.20 0.00 0.56 0.00 0.00 36.38 34.49 1ujt s VAL 38 CO -0.00 0.57 1.18 0.44 -0.31 0.00 0.00 175.10 176.98 1ujt h ASP 39 N 5.80 0.22 -3.59 4.85 3.32 -1.73 -3.38 116.42 121.91 1ujt h ASP 39 Ca -0.39 -0.62 -0.69 0.00 0.02 0.00 0.00 57.03 55.35 1ujt h ASP 39 Cb 1.17 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.29 1ujt h ASP 39 CO 0.52 0.80 -0.26 -0.13 -1.72 0.00 0.00 179.24 178.45 1ujt s ARG 40 N -3.75 2.91 -0.27 3.56 0.52 -1.26 -5.02 118.95 115.64 1ujt s ARG 40 Ca -0.15 -3.05 -0.32 0.00 -0.52 0.00 0.00 55.73 51.69 1ujt s ARG 40 Cb 0.02 -3.80 -0.09 0.00 0.52 0.00 0.00 34.95 31.61 1ujt s ARG 40 CO 0.73 -1.24 2.18 0.94 0.02 0.00 0.00 175.30 177.93 1ujt n GLN 41 N 2.64 1.56 -2.26 3.54 7.27 -1.26 -4.76 117.38 124.11 1ujt n GLN 41 Ca 0.17 0.44 -0.38 0.00 0.07 0.00 0.00 57.00 57.29 1ujt n GLN 41 Cb 0.37 -2.81 -0.02 0.00 2.41 0.00 0.00 30.24 30.19 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 6.09 4.05 -0.22 3.69 0.04 -1.26 -4.99 135.00 142.40 1ujt s PRO 42 Ca 1.04 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 63.77 1ujt s PRO 42 Cb -0.62 -2.70 -0.18 0.00 0.04 0.00 0.00 34.50 31.04 1ujt s PRO 42 CO 0.43 -0.34 0.14 0.94 0.04 0.00 0.00 177.00 178.21 1ujt n GLN 43 N 0.10 0.58 -0.14 4.56 -0.06 -1.26 -4.20 117.38 116.95 1ujt n GLN 43 Ca 0.04 0.52 0.21 0.00 -2.00 0.00 0.00 57.00 55.77 1ujt n GLN 43 Cb 0.46 -1.71 0.61 0.00 -4.06 0.00 0.00 30.24 25.54 1ujt n GLN 43 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1ujt h PHE 44 N -0.95 0.24 -2.29 3.69 -0.00 -1.99 -3.43 116.94 112.22 1ujt h PHE 44 Ca -0.40 0.01 -0.57 0.00 -0.00 0.00 0.00 57.97 57.01 1ujt h PHE 44 Cb 1.38 -0.08 0.21 0.00 -0.00 0.00 0.00 35.95 37.47 1ujt h PHE 44 CO 0.07 0.08 -1.32 1.51 -0.00 0.00 0.00 178.31 178.65 1ujt n ILE 45 N -4.41 0.28 -0.03 0.88 3.06 -1.26 -4.84 119.36 113.05 1ujt n ILE 45 Ca 0.15 -0.46 -0.03 0.00 -2.50 0.00 0.00 62.75 59.91 1ujt n ILE 45 Cb 0.70 -0.16 -0.04 0.00 0.54 0.00 0.00 39.64 40.69 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 1.38 2.38 0.00 9.51 1.13 -0.98 -4.95 117.38 125.84 1ujt n GLN 46 Ca 0.04 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1ujt n GLN 46 Cb 0.52 -1.13 0.00 0.00 0.11 0.00 0.00 30.24 29.74 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 2.83 1.61 3.58 1.08 0.00 -1.23 -3.44 105.19 109.62 1ujt n GLY 47 Ca -0.09 0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 1.63 -0.93 -0.44 1.61 2.02 -1.26 -4.34 117.35 115.65 1ujt s TYR 48 Ca 0.00 1.70 -0.16 0.00 -0.37 0.00 0.00 57.07 58.24 1ujt s TYR 48 Cb 0.00 0.56 0.04 0.00 -0.40 0.00 0.00 41.96 42.16 1ujt s TYR 48 CO 0.00 -0.46 0.37 0.50 -1.57 0.00 0.00 175.55 174.39 1ujt s ARG 49 N 2.16 3.00 -0.52 -0.62 6.06 -1.16 -2.50 118.95 125.38 1ujt s ARG 49 Ca -0.07 -1.09 -0.19 0.00 -2.50 0.00 0.00 55.73 51.88 1ujt s ARG 49 Cb -0.07 -4.04 0.06 0.00 0.06 0.00 0.00 34.95 30.97 1ujt s ARG 49 CO -0.18 -0.89 0.64 0.08 -2.50 0.00 0.00 175.30 172.46 1ujt s VAL 50 N 1.79 4.85 -0.16 7.11 1.01 -1.15 -3.36 120.40 130.50 1ujt s VAL 50 Ca 0.06 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1ujt s VAL 50 Cb -0.21 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 1ujt s VAL 50 CO 0.09 -0.86 0.51 -0.04 0.00 0.00 0.00 175.10 174.80 1ujt s MET 51 N 2.67 4.27 0.13 2.72 -1.94 -1.24 -0.50 119.30 125.41 1ujt s MET 51 Ca 0.15 0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.58 1ujt s MET 51 Cb -0.20 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 1ujt s MET 51 CO 0.11 -0.01 0.00 1.52 -0.01 0.00 0.00 175.02 176.64 1ujt s TYR 52 N 1.16 0.92 0.03 -0.03 1.13 -1.03 -2.54 117.35 117.00 1ujt s TYR 52 Ca 0.25 -1.08 -0.29 0.00 -1.41 0.00 0.00 57.07 54.54 1ujt s TYR 52 Cb -0.15 -0.54 0.10 0.00 -1.10 0.00 0.00 41.96 40.27 1ujt s TYR 52 CO 0.10 -0.33 1.15 -0.98 -2.51 0.00 0.00 175.55 172.98 1ujt s ARG 53 N -3.95 0.68 0.22 -3.49 1.70 -1.10 0.06 118.95 113.08 1ujt s ARG 53 Ca 0.19 -0.37 -0.19 0.00 -0.47 0.00 0.00 55.73 54.89 1ujt s ARG 53 Cb 0.07 0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 34.61 1ujt s ARG 53 CO -0.01 -0.31 0.72 -1.14 -1.08 0.00 0.00 175.30 173.48 1ujt s GLN 54 N -2.75 4.23 -0.23 3.89 0.74 -1.26 -2.66 119.66 121.63 1ujt s GLN 54 Ca 0.13 0.85 0.04 0.00 0.05 0.00 0.00 55.36 56.42 1ujt s GLN 54 Cb 0.02 -2.86 -0.16 0.00 1.10 0.00 0.00 33.01 31.10 1ujt s GLN 54 CO -0.02 0.39 -0.17 0.25 -0.55 0.00 0.00 175.29 175.19 1ujt n THR 55 N 0.68 1.32 -4.21 -0.34 -2.24 -1.00 -2.41 114.28 106.09 1ujt n THR 55 Ca -0.02 -0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 60.94 1ujt n THR 55 Cb 0.51 -1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.44 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 -6.12 4.68 0.00 3.42 0.15 -1.26 -4.59 113.70 109.98 1ujt s SER 56 Ca -0.28 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 55.97 1ujt s SER 56 Cb 0.08 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 1ujt s SER 56 CO 0.56 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1ujt n GLY 57 N 0.09 -2.32 0.07 9.45 0.00 -1.26 -4.12 105.19 107.10 1ujt n GLY 57 Ca -0.10 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.82 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 0.06 -1.58 0.99 7.12 -2.00 -3.05 115.31 116.85 1ujt h LEU 58 Ca 0.00 -0.64 0.00 0.00 0.13 0.00 0.00 57.88 57.37 1ujt h LEU 58 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1ujt h LEU 58 CO 0.00 0.69 0.12 1.56 -0.13 0.00 0.00 178.44 180.68 1ujt h GLN 59 N -0.56 0.00 -7.17 1.25 1.08 -1.95 -3.42 115.11 104.33 1ujt h GLN 59 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1ujt h GLN 59 Cb 0.69 0.00 0.17 0.00 -0.05 0.00 0.00 27.48 28.29 1ujt h GLN 59 CO 0.01 0.00 0.41 0.00 -0.95 0.00 0.00 178.83 178.30 1ujt s ALA 60 N -3.64 2.05 -1.21 3.87 0.00 -1.16 -2.65 121.76 119.03 1ujt s ALA 60 Ca -0.03 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1ujt s ALA 60 Cb 0.07 -3.51 0.15 0.00 0.00 0.00 0.00 23.12 19.83 1ujt s ALA 60 CO 0.22 -2.01 0.38 -2.37 0.00 0.00 0.00 175.76 171.98 1ujt n THR 61 N -2.76 -0.00 -0.08 0.00 5.66 -1.01 -4.72 114.28 111.37 1ujt n THR 61 Ca 0.14 -0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.02 1ujt n THR 61 Cb 0.50 -0.32 -0.04 0.00 -1.55 0.00 0.00 70.33 68.91 1ujt n THR 61 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ujt n SER 62 N -1.29 1.76 -3.63 1.09 2.88 -1.08 -5.03 113.62 108.31 1ujt n SER 62 Ca 0.08 0.29 -0.04 0.00 -1.33 0.00 0.00 58.87 57.88 1ujt n SER 62 Cb 0.29 -0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 63.01 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 -6.26 -0.81 0.41 -3.46 0.01 -1.26 -5.15 113.70 97.18 1ujt s SER 63 Ca -0.27 1.31 -0.25 0.00 1.31 0.00 0.00 55.95 58.06 1ujt s SER 63 Cb 0.06 1.94 -0.08 0.00 0.21 0.00 0.00 66.02 68.14 1ujt s SER 63 CO 0.37 -0.23 1.21 0.26 0.41 0.00 0.00 173.24 175.26 1ujt s TRP 64 N 2.79 2.95 0.52 2.43 0.52 -1.26 -4.85 118.94 122.05 1ujt s TRP 64 Ca -0.03 1.51 0.07 0.00 0.02 0.00 0.00 56.10 57.67 1ujt s TRP 64 Cb -0.12 -3.47 0.03 0.00 -1.15 0.00 0.00 33.47 28.76 1ujt s TRP 64 CO -0.17 -1.59 0.45 -0.65 0.02 0.00 0.00 176.95 175.02 1ujt s GLN 65 N -2.36 2.31 -0.27 4.98 -0.21 0.11 -4.96 119.66 119.26 1ujt s GLN 65 Ca 0.58 -1.88 -0.14 0.00 0.02 0.00 0.00 55.36 53.95 1ujt s GLN 65 Cb -0.33 -2.23 0.09 0.00 1.00 0.00 0.00 33.01 31.55 1ujt s GLN 65 CO 0.41 -0.57 0.65 0.54 -2.12 0.00 0.00 175.29 174.20 1ujt s ASN 66 N -4.30 -0.93 -0.42 5.90 2.20 -1.26 -2.46 114.94 113.67 1ujt s ASN 66 Ca 0.41 1.46 -0.06 0.00 -0.94 0.00 0.00 52.86 53.73 1ujt s ASN 66 Cb -0.03 1.49 0.11 0.00 -2.00 0.00 0.00 41.25 40.81 1ujt s ASN 66 CO 0.25 -0.23 0.24 -0.22 -2.94 0.00 0.00 177.10 174.20 1ujt s LEU 67 N 1.85 5.30 -0.39 3.54 2.96 0.34 -4.93 118.68 127.35 1ujt s LEU 67 Ca -0.09 -1.88 -0.28 0.00 -0.22 0.00 0.00 54.13 51.66 1ujt s LEU 67 Cb -0.07 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ujt s LEU 67 CO -0.19 -0.57 1.65 1.51 -1.32 0.00 0.00 176.35 177.42 1ujt s ASP 68 N 2.10 6.01 0.11 3.68 -4.77 -1.26 -2.92 116.67 119.61 1ujt s ASP 68 Ca 0.06 1.00 -0.15 0.00 -3.30 0.00 0.00 52.55 50.17 1ujt s ASP 68 Cb -0.24 -2.53 -0.07 0.00 -1.09 0.00 0.00 42.92 38.99 1ujt s ASP 68 CO -0.02 -1.66 1.45 0.00 0.70 0.00 0.00 175.17 175.63 1ujt h ALA 69 N 12.17 0.45 -4.51 2.11 0.00 -1.90 -3.47 119.26 124.11 1ujt h ALA 69 Ca -0.31 -0.38 -0.36 0.00 0.00 0.00 0.00 54.91 53.87 1ujt h ALA 69 Cb 1.14 -0.10 0.08 0.00 0.00 0.00 0.00 17.79 18.91 1ujt h ALA 69 CO 1.07 0.43 -0.56 1.63 0.00 0.00 0.00 179.25 181.83 1ujt n LYS 70 N -4.28 -5.44 -3.22 0.00 4.76 -1.26 -4.97 118.16 103.74 1ujt n LYS 70 Ca -0.03 0.77 -0.01 0.00 -2.87 0.00 0.00 58.31 56.17 1ujt n LYS 70 Cb 0.45 -5.45 -0.03 0.00 -1.84 0.00 0.00 35.03 28.15 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ujt s VAL 71 N -3.18 -0.85 -2.00 -0.18 1.01 -1.26 -4.97 120.40 108.98 1ujt s VAL 71 Ca 0.37 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1ujt s VAL 71 Cb -0.16 -0.96 0.30 0.00 0.00 0.00 0.00 36.38 35.56 1ujt s VAL 71 CO 0.46 -0.08 1.07 -0.81 0.00 0.00 0.00 175.10 175.74 1ujt n PRO 72 N 5.40 0.49 0.00 2.72 -0.04 -1.22 -1.77 135.00 140.57 1ujt n PRO 72 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1ujt n PRO 72 Cb 0.51 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.62 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 -3.63 0.52 -2.24 -1.26 -4.96 114.28 101.86 1ujt n THR 73 Ca 0.08 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 1ujt n THR 73 Cb 0.04 1.08 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.40 4.12 -0.22 -0.78 0.41 -0.73 -4.96 118.70 115.14 1ujt s GLU 74 Ca 0.07 -0.17 0.13 0.00 -0.41 0.00 0.00 54.97 54.59 1ujt s GLU 74 Cb 0.07 -3.51 0.47 0.00 -1.78 0.00 0.00 34.13 29.39 1ujt s GLU 74 CO 0.26 0.11 1.38 0.54 -0.49 0.00 0.00 175.26 177.06 1ujt n ARG 75 N 4.11 2.10 -3.81 1.61 5.12 -1.26 -4.92 116.66 119.60 1ujt n ARG 75 Ca -0.14 -2.99 -0.12 0.00 -1.93 0.00 0.00 57.85 52.67 1ujt n ARG 75 Cb 0.52 -1.76 -0.09 0.00 -1.16 0.00 0.00 32.46 29.96 1ujt n ARG 75 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ujt s SER 76 N -2.44 -0.10 -0.08 0.55 0.15 -1.26 -2.10 113.70 108.42 1ujt s SER 76 Ca 0.41 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 1ujt s SER 76 Cb 0.36 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 65.00 1ujt s SER 76 CO 0.03 -0.39 0.15 0.00 1.20 0.00 0.00 173.24 174.23 1ujt s ALA 77 N -1.25 -0.15 -0.27 5.45 0.00 -0.80 -4.96 121.76 119.78 1ujt s ALA 77 Ca -0.13 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 1ujt s ALA 77 Cb -0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1ujt s ALA 77 CO 0.03 -0.47 0.39 0.08 0.00 0.00 0.00 175.76 175.79 1ujt s VAL 78 N 2.05 5.16 -0.34 0.00 1.01 -1.26 -1.62 120.40 125.39 1ujt s VAL 78 Ca 0.01 0.59 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1ujt s VAL 78 Cb -0.12 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1ujt s VAL 78 CO -0.06 0.14 0.41 -0.76 0.00 0.00 0.00 175.10 174.83 1ujt s LEU 79 N 2.10 4.42 0.25 3.92 1.43 -0.75 -4.95 118.68 125.10 1ujt s LEU 79 Ca 0.16 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1ujt s LEU 79 Cb -0.16 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 1ujt s LEU 79 CO 0.10 -0.39 0.33 0.68 0.23 0.00 0.00 176.35 177.30 1ujt s VAL 80 N 2.14 4.99 -0.53 -1.59 -7.23 -1.26 -2.56 120.40 114.36 1ujt s VAL 80 Ca 0.14 -1.08 -0.00 0.00 -1.81 0.00 0.00 61.98 59.23 1ujt s VAL 80 Cb -0.16 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.05 1ujt s VAL 80 CO 0.12 -0.32 0.44 0.59 -0.31 0.00 0.00 175.10 175.62 1ujt n ASN 81 N -1.37 -2.03 -4.93 4.85 3.02 -1.04 -5.00 115.26 108.77 1ujt n ASN 81 Ca -0.08 -0.28 -0.20 0.00 -0.03 0.00 0.00 54.58 53.99 1ujt n ASN 81 Cb 0.57 -2.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.17 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 -3.94 3.89 0.31 3.41 1.43 -0.25 -5.06 118.68 118.47 1ujt s LEU 82 Ca 0.00 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1ujt s LEU 82 Cb -0.00 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 1ujt s LEU 82 CO 0.32 -0.31 0.76 -0.75 0.23 0.00 0.00 176.35 176.61 1ujt s LYS 83 N -4.05 4.09 -0.10 1.70 2.20 -1.26 -4.51 119.74 117.81 1ujt s LYS 83 Ca 0.41 0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 56.65 1ujt s LYS 83 Cb -0.08 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.68 1ujt s LYS 83 CO 0.29 0.19 0.36 0.15 -0.36 0.00 0.00 175.35 175.97 1ujt s LYS 84 N -2.77 4.12 -0.12 4.03 1.02 -1.22 -4.44 119.74 120.35 1ujt s LYS 84 Ca 0.53 0.25 -0.00 0.00 0.02 0.00 0.00 55.97 56.76 1ujt s LYS 84 Cb -0.12 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 33.84 1ujt s LYS 84 CO 0.18 0.39 0.10 0.41 -0.92 0.00 0.00 175.35 175.51 1ujt n GLY 85 N 2.80 0.51 3.54 -3.33 0.00 0.20 -4.85 105.19 104.06 1ujt n GLY 85 Ca -0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.04 0.00 0.07 1.61 0.11 -1.07 -4.95 120.40 113.12 1ujt s VAL 86 Ca 0.02 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1ujt s VAL 86 Cb -0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1ujt s VAL 86 CO 0.08 0.00 0.44 -0.89 -3.33 0.00 0.00 175.10 171.39 1ujt s THR 87 N -1.87 5.02 -0.08 5.04 2.01 -1.26 -1.35 115.64 123.15 1ujt s THR 87 Ca -0.01 0.65 0.02 0.00 0.31 0.00 0.00 61.69 62.66 1ujt s THR 87 Cb -0.01 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1ujt s THR 87 CO -0.01 0.36 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.84 1ujt s TYR 88 N -1.32 1.63 -0.12 4.92 1.51 0.48 -2.37 117.35 122.08 1ujt s TYR 88 Ca 0.31 -0.67 -0.10 0.00 -1.01 0.00 0.00 57.07 55.60 1ujt s TYR 88 Cb -0.15 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.46 1ujt s TYR 88 CO 0.17 -0.35 0.22 -2.00 -1.11 0.00 0.00 175.55 172.48 1ujt s GLU 89 N 0.82 3.82 0.01 -0.62 2.12 -1.09 -0.45 118.70 123.32 1ujt s GLU 89 Ca -0.11 -0.00 -0.04 0.00 0.36 0.00 0.00 54.97 55.17 1ujt s GLU 89 Cb -0.15 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1ujt s GLU 89 CO 0.02 0.58 0.07 0.42 -0.54 0.00 0.00 175.26 175.80 1ujt s ILE 90 N -0.51 0.10 -0.09 -3.70 1.09 -0.39 -2.70 121.20 114.99 1ujt s ILE 90 Ca 0.16 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 58.83 1ujt s ILE 90 Cb -0.13 -0.45 0.05 0.00 -1.06 0.00 0.00 42.46 40.87 1ujt s ILE 90 CO 0.05 -0.46 0.19 -1.59 -0.10 0.00 0.00 174.94 173.03 1ujt s LYS 91 N -1.62 0.09 -0.08 2.79 0.00 -1.05 -1.27 119.74 118.60 1ujt s LYS 91 Ca -0.14 0.57 -0.29 0.00 0.00 0.00 0.00 55.97 56.11 1ujt s LYS 91 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 37.83 37.56 1ujt s LYS 91 CO -0.00 -0.26 0.96 0.08 0.00 0.00 0.00 175.35 176.13 1ujt s VAL 92 N 1.99 4.84 -0.12 1.79 1.01 -1.26 -3.59 120.40 125.06 1ujt s VAL 92 Ca -0.01 1.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 1ujt s VAL 92 Cb -0.12 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1ujt s VAL 92 CO -0.07 0.07 -0.05 0.00 0.00 0.00 0.00 175.10 175.05 1ujt s ARG 93 N 1.66 1.25 -0.27 2.72 1.70 -1.21 -3.12 118.95 121.67 1ujt s ARG 93 Ca 0.47 -0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 55.22 1ujt s ARG 93 Cb -0.19 -1.54 -0.02 0.00 -0.57 0.00 0.00 34.95 32.63 1ujt s ARG 93 CO 0.20 -0.32 1.64 -1.25 -1.08 0.00 0.00 175.30 174.49 1ujt s PRO 94 N 1.77 3.65 0.13 3.89 0.04 -1.26 -2.96 135.00 140.26 1ujt s PRO 94 Ca 0.04 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.67 1ujt s PRO 94 Cb -0.13 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.29 1ujt s PRO 94 CO -0.07 -1.47 -0.06 1.52 0.04 0.00 0.00 177.00 176.96 1ujt s TYR 95 N 5.66 2.79 -0.08 0.56 -0.85 -1.26 -0.19 117.35 123.97 1ujt s TYR 95 Ca 0.72 -0.14 -0.12 0.00 -0.52 0.00 0.00 57.07 57.02 1ujt s TYR 95 Cb -0.23 -1.41 -0.04 0.00 0.38 0.00 0.00 41.96 40.66 1ujt s TYR 95 CO 0.31 0.47 -0.23 0.34 -1.52 0.00 0.00 175.55 174.92 1ujt n PHE 96 N 0.38 0.00 0.02 -3.49 7.35 -1.25 -2.32 117.46 118.14 1ujt n PHE 96 Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1ujt n PHE 96 Cb 0.53 -0.33 0.00 0.00 0.35 0.00 0.00 39.48 40.04 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 -4.12 0.20 0.00 -2.13 4.13 -1.26 -3.99 115.26 108.10 1ujt n ASN 97 Ca -0.09 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1ujt n ASN 97 Cb 0.34 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 38.54 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1ujt n GLU 98 N -2.74 0.00 -1.10 3.52 0.28 -1.26 -5.08 120.64 114.26 1ujt n GLU 98 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ujt n GLU 98 Cb 0.00 -0.84 0.15 0.00 1.43 0.00 0.00 31.44 32.18 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1ujt s PHE 99 N -1.78 2.17 -0.09 -1.84 -0.71 -1.26 -5.05 117.98 109.41 1ujt s PHE 99 Ca 0.00 1.30 0.00 0.00 -1.04 0.00 0.00 56.93 57.20 1ujt s PHE 99 Cb 0.00 -3.17 0.02 0.00 -1.21 0.00 0.00 43.02 38.66 1ujt s PHE 99 CO 0.00 -2.56 -0.08 1.14 -1.34 0.00 0.00 175.22 172.38 1ujt s GLN 100 N -4.86 1.43 1.46 1.99 1.03 -1.26 -3.77 119.66 115.67 1ujt s GLN 100 Ca 0.64 -0.25 -0.24 0.00 0.04 0.00 0.00 55.36 55.55 1ujt s GLN 100 Cb -0.19 -1.42 0.38 0.00 0.03 0.00 0.00 33.01 31.81 1ujt s GLN 100 CO 0.58 -0.18 0.91 0.20 -2.54 0.00 0.00 175.29 174.25 1ujt s GLY 101 N 1.40 1.39 0.55 2.60 0.00 0.74 -4.91 107.32 109.09 1ujt s GLY 101 Ca -0.01 -0.84 -0.20 0.00 0.00 0.00 0.00 44.72 43.66 1ujt s GLY 101 CO -0.04 0.20 0.95 1.15 0.00 0.00 0.00 173.10 175.36 1ujt n MET 102 N -5.77 1.03 -3.79 2.90 0.00 -1.26 -4.54 117.12 105.69 1ujt n MET 102 Ca 0.13 0.39 -0.37 0.00 0.00 0.00 0.00 57.70 57.85 1ujt n MET 102 Cb 0.60 -2.11 -0.06 0.00 0.00 0.00 0.00 33.22 31.65 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1ujt s ASP 103 N -1.08 6.40 1.01 3.17 -4.77 -1.26 -4.37 116.67 115.76 1ujt s ASP 103 Ca 0.71 0.48 -0.16 0.00 -3.30 0.00 0.00 52.55 50.28 1ujt s ASP 103 Cb -0.45 -2.10 0.21 0.00 -1.09 0.00 0.00 42.92 39.48 1ujt s ASP 103 CO 0.50 0.33 1.24 -0.55 0.70 0.00 0.00 175.17 177.39 1ujt s SER 104 N -0.66 2.68 -0.34 2.11 0.15 -1.18 -4.89 113.70 111.57 1ujt s SER 104 Ca 0.15 0.48 -0.29 0.00 0.70 0.00 0.00 55.95 56.99 1ujt s SER 104 Cb -0.12 -0.67 -0.08 0.00 -1.71 0.00 0.00 66.02 63.44 1ujt s SER 104 CO 0.04 -3.02 2.28 -1.84 1.20 0.00 0.00 173.24 171.90 1ujt n GLU 105 N -4.00 1.47 -1.61 5.44 0.28 -1.26 -4.76 120.64 116.20 1ujt n GLU 105 Ca 0.13 0.33 -0.53 0.00 -0.16 0.00 0.00 57.16 56.93 1ujt n GLU 105 Cb 0.60 -3.06 -0.06 0.00 1.43 0.00 0.00 31.44 30.35 1ujt n GLU 105 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ujt n SER 106 N 12.31 2.59 -4.86 -1.84 3.41 -1.26 -4.77 113.62 119.20 1ujt n SER 106 Ca 0.36 0.82 -0.36 0.00 -0.26 0.00 0.00 58.87 59.43 1ujt n SER 106 Cb 0.41 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.06 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 4.63 3.81 -0.16 4.33 -0.14 -0.40 -4.85 119.74 126.96 1ujt s LYS 107 Ca 1.01 0.25 -0.02 0.00 -1.36 0.00 0.00 55.97 55.85 1ujt s LYS 107 Cb -0.90 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 32.18 1ujt s LYS 107 CO 0.56 0.59 -0.09 0.95 -0.76 0.00 0.00 175.35 176.61 1ujt s THR 108 N -1.32 3.34 -0.20 2.17 -4.23 -1.26 -1.26 115.64 112.88 1ujt s THR 108 Ca 0.31 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.23 1ujt s THR 108 Cb -0.15 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1ujt s THR 108 CO 0.17 0.49 -0.03 0.54 -0.54 0.00 0.00 174.62 175.25 1ujt s VAL 109 N 0.60 3.59 -0.40 2.29 0.11 0.41 -4.87 120.40 122.14 1ujt s VAL 109 Ca -0.05 -0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 58.39 1ujt s VAL 109 Cb -0.15 -2.62 0.01 0.00 -1.53 0.00 0.00 36.38 32.10 1ujt s VAL 109 CO 0.03 0.44 0.48 -0.60 -3.33 0.00 0.00 175.10 172.11 1ujt s ARG 110 N 1.12 3.29 -0.55 1.54 3.52 -1.26 -0.39 118.95 126.23 1ujt s ARG 110 Ca 0.02 -0.53 -0.24 0.00 -0.13 0.00 0.00 55.73 54.85 1ujt s ARG 110 Cb -0.15 -3.91 0.04 0.00 -1.56 0.00 0.00 34.95 29.38 1ujt s ARG 110 CO 0.00 -0.79 0.93 0.95 -0.81 0.00 0.00 175.30 175.58 1ujt s THR 111 N 2.29 4.41 1.00 4.11 -4.23 -0.46 -4.95 115.64 117.81 1ujt s THR 111 Ca 0.15 0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 1ujt s THR 111 Cb -0.16 -4.53 -0.11 0.00 1.34 0.00 0.00 72.50 69.04 1ujt s THR 111 CO 0.14 -1.09 -0.67 1.07 -0.54 0.00 0.00 174.62 173.53 1ujt n THR 112 N 6.18 0.00 -4.08 3.99 5.66 -1.26 0.60 114.28 125.38 1ujt n THR 112 Ca 0.02 -0.36 -0.36 0.00 -3.05 0.00 0.00 64.05 60.29 1ujt n THR 112 Cb 0.47 -0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.04 1ujt n THR 112 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1ujt s GLU 113 N -2.36 3.25 -0.16 1.09 2.56 -1.26 -1.89 118.70 119.93 1ujt s GLU 113 Ca 0.43 -0.26 -0.29 0.00 0.00 0.00 0.00 54.97 54.85 1ujt s GLU 113 Cb -0.14 -3.02 -0.03 0.00 2.00 0.00 0.00 34.13 32.94 1ujt s GLU 113 CO 0.77 0.74 1.52 -2.00 -0.56 0.00 0.00 175.26 175.73 1ujt s GLU 114 N -1.03 4.04 0.22 4.30 2.12 -1.26 -4.95 118.70 122.13 1ujt s GLU 114 Ca 0.15 1.81 -0.23 0.00 0.36 0.00 0.00 54.97 57.07 1ujt s GLU 114 Cb -0.12 -3.94 0.05 0.00 0.26 0.00 0.00 34.13 30.38 1ujt s GLU 114 CO 0.04 -0.99 0.86 0.45 -0.54 0.00 0.00 175.26 175.08 1ujt s SER 115 N 3.29 -0.19 -0.43 -1.70 0.15 -1.26 -5.13 113.70 108.44 1ujt s SER 115 Ca 0.67 -0.55 -0.23 0.00 0.70 0.00 0.00 55.95 56.54 1ujt s SER 115 Cb -0.26 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1ujt s SER 115 CO 0.25 -1.13 0.75 -0.83 1.20 0.00 0.00 173.24 173.48 1ujt s GLY 116 N -2.97 1.63 0.03 9.45 0.00 -1.26 -4.93 107.32 109.27 1ujt s GLY 116 Ca 0.13 -0.96 -0.21 0.00 0.00 0.00 0.00 44.72 43.68 1ujt s GLY 116 CO 0.05 1.72 1.34 -0.56 0.00 0.00 0.00 173.10 175.65 1ujt h PRO 117 N 8.84 0.33 -5.78 2.90 0.13 -2.00 -3.38 132.00 133.04 1ujt h PRO 117 Ca -0.25 -0.17 -0.45 0.00 -0.87 0.00 0.00 66.00 64.26 1ujt h PRO 117 Cb 1.09 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.16 1ujt h PRO 117 CO 0.93 0.72 1.27 -1.12 -0.23 0.00 0.00 178.00 179.58 1ujt s SER 118 N -6.09 5.76 -0.18 1.44 0.01 -1.26 -4.68 113.70 108.70 1ujt s SER 118 Ca -0.14 -1.43 -0.16 0.00 1.31 0.00 0.00 55.95 55.53 1ujt s SER 118 Cb 0.05 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 1ujt s SER 118 CO 0.75 -2.23 -0.29 -1.20 0.41 0.00 0.00 173.24 170.68 1ujt n SER 119 N 11.78 1.91 0.00 2.44 7.64 -1.26 -5.29 113.62 130.84 1ujt n SER 119 Ca 0.41 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1ujt n SER 119 Cb 0.48 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64