#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 4.15 0.18 1.61 0.01 -1.26 -5.00 113.70 113.39 1ujt s SER 2 Ca 0.00 -2.39 -0.19 0.00 1.31 0.00 0.00 55.95 54.68 1ujt s SER 2 Cb 0.00 -1.28 0.11 0.00 0.21 0.00 0.00 66.02 65.07 1ujt s SER 2 CO 0.00 -0.32 1.34 -1.20 0.41 0.00 0.00 173.24 173.48 1ujt n SER 3 N 3.90 -0.69 0.00 2.44 7.64 -1.26 -4.90 113.62 120.75 1ujt n SER 3 Ca 0.04 1.53 0.00 0.00 1.01 0.00 0.00 58.87 61.45 1ujt n SER 3 Cb 0.37 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1ujt n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujt n GLY 4 N -1.34 -1.39 3.33 0.23 0.00 -1.26 -5.10 105.19 99.65 1ujt n GLY 4 Ca 0.06 0.60 -0.37 0.00 0.00 0.00 0.00 46.02 46.32 1ujt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujt s SER 5 N -4.00 5.05 0.27 1.61 0.15 -1.26 -5.07 113.70 110.45 1ujt s SER 5 Ca 0.00 -0.73 -0.06 0.00 0.70 0.00 0.00 55.95 55.86 1ujt s SER 5 Cb 0.00 -1.86 -0.01 0.00 -1.71 0.00 0.00 66.02 62.44 1ujt s SER 5 CO 0.00 -0.19 0.40 -0.94 1.20 0.00 0.00 173.24 173.71 1ujt s SER 6 N 1.48 0.36 -0.25 5.45 1.04 -1.26 -5.07 113.70 115.45 1ujt s SER 6 Ca 0.02 -1.24 0.09 0.00 0.48 0.00 0.00 55.95 55.30 1ujt s SER 6 Cb -0.17 0.57 0.44 0.00 0.10 0.00 0.00 66.02 66.96 1ujt s SER 6 CO 0.02 -1.13 1.20 0.61 0.98 0.00 0.00 173.24 174.92 1ujt n GLY 7 N -0.43 5.69 0.12 7.32 0.00 -1.26 -4.73 105.19 111.90 1ujt n GLY 7 Ca 0.00 -1.99 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.89 0.62 0.00 1.61 1.74 -1.26 -4.05 116.66 114.43 1ujt n ARG 8 Ca 0.31 0.45 0.03 0.00 -0.77 0.00 0.00 57.85 57.87 1ujt n ARG 8 Cb 0.84 -1.70 0.17 0.00 -1.02 0.00 0.00 32.46 30.74 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1ujt n GLN 9 N -4.12 0.84 -0.06 5.56 7.27 -1.26 -3.62 117.38 121.99 1ujt n GLN 9 Ca -0.35 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 56.60 1ujt n GLN 9 Cb 0.81 -1.10 -0.06 0.00 2.41 0.00 0.00 30.24 32.30 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 1.29 -0.13 1.69 3.04 -1.88 0.21 116.25 120.48 1ujt h VAL 10 Ca 0.00 -1.04 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 1ujt h VAL 10 Cb 0.00 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1ujt h VAL 10 CO 0.00 0.31 0.00 0.00 -1.01 0.00 0.00 177.57 176.87 1ujt n GLN 11 N -4.63 1.30 -0.02 4.17 6.02 -1.24 -2.24 117.38 120.74 1ujt n GLN 11 Ca -0.05 -0.46 -0.06 0.00 -0.01 0.00 0.00 57.00 56.42 1ujt n GLN 11 Cb 0.28 -1.12 -0.02 0.00 1.02 0.00 0.00 30.24 30.40 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 0.14 0.02 -1.09 0.00 -1.03 -4.76 118.16 111.30 1ujt n LYS 12 Ca 0.05 0.06 -0.18 0.00 0.00 0.00 0.00 58.31 58.24 1ujt n LYS 12 Cb 0.11 -0.74 -0.12 0.00 0.00 0.00 0.00 35.03 34.29 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ujt h GLU 13 N -0.25 0.43 0.00 1.64 4.81 -0.70 -3.00 114.58 117.51 1ujt h GLU 13 Ca -0.13 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 1ujt h GLU 13 Cb 0.93 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1ujt h GLU 13 CO -0.08 1.16 0.00 -0.11 -0.73 0.00 0.00 179.01 179.25 1ujt n LEU 14 N -4.15 0.00 0.36 1.64 7.94 -0.95 -0.15 117.00 121.69 1ujt n LEU 14 Ca -0.11 0.78 -0.16 0.00 -1.11 0.00 0.00 56.01 55.42 1ujt n LEU 14 Cb 0.74 -0.38 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 1ujt n LEU 14 CO 0.48 -0.38 0.44 1.23 -1.11 0.00 0.00 177.39 178.06 1ujt h GLY 15 N 0.00 -0.98 -0.71 -3.96 0.00 -1.80 -3.14 103.07 92.49 1ujt h GLY 15 Ca 0.00 0.36 0.21 0.00 0.00 0.00 0.00 47.33 47.91 1ujt h GLY 15 CO 0.00 -0.36 0.09 1.34 0.00 0.00 0.00 176.54 177.61 1ujt n ASP 16 N -5.42 -0.02 -4.76 0.19 2.03 -1.02 -4.30 116.55 103.26 1ujt n ASP 16 Ca -0.12 1.20 -0.41 0.00 0.52 0.00 0.00 54.79 55.97 1ujt n ASP 16 Cb 0.38 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1ujt n ASP 16 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ujt s VAL 17 N -5.51 2.08 -0.16 5.18 1.01 0.78 -5.00 120.40 118.78 1ujt s VAL 17 Ca -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1ujt s VAL 17 Cb 0.21 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1ujt s VAL 17 CO 0.55 0.01 -0.02 -0.22 0.00 0.00 0.00 175.10 175.42 1ujt s LEU 18 N -0.77 3.34 -0.36 3.92 0.20 -1.26 -4.78 118.68 118.97 1ujt s LEU 18 Ca 0.61 -0.10 -0.09 0.00 0.69 0.00 0.00 54.13 55.24 1ujt s LEU 18 Cb -0.47 -1.81 0.03 0.00 -0.43 0.00 0.00 46.19 43.50 1ujt s LEU 18 CO 0.50 0.16 0.16 -0.69 -0.29 0.00 0.00 176.35 176.19 1ujt s VAL 19 N 0.43 4.22 -0.71 1.68 1.01 -1.26 -2.91 120.40 122.85 1ujt s VAL 19 Ca -0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.80 1ujt s VAL 19 Cb -0.14 -3.37 0.15 0.00 0.00 0.00 0.00 36.38 33.02 1ujt s VAL 19 CO 0.02 -0.21 0.76 -0.60 0.00 0.00 0.00 175.10 175.07 1ujt s ARG 20 N 1.48 3.30 0.11 2.72 3.00 0.04 -4.59 118.95 125.01 1ujt s ARG 20 Ca 0.00 -1.82 -0.30 0.00 -1.00 0.00 0.00 55.73 52.60 1ujt s ARG 20 Cb -0.19 -4.43 -0.07 0.00 0.00 0.00 0.00 34.95 30.26 1ujt s ARG 20 CO 0.05 -1.46 1.23 -1.17 0.00 0.00 0.00 175.30 173.94 1ujt s LEU 21 N 1.70 4.39 -0.04 -0.88 0.20 -1.26 -1.56 118.68 121.23 1ujt s LEU 21 Ca 0.16 2.13 -0.09 0.00 0.69 0.00 0.00 54.13 57.01 1ujt s LEU 21 Cb -0.18 -3.59 -0.05 0.00 -0.43 0.00 0.00 46.19 41.95 1ujt s LEU 21 CO -0.02 -0.47 0.27 -1.00 -0.29 0.00 0.00 176.35 174.84 1ujt s HIS 22 N 0.72 3.63 -0.25 5.38 3.76 -0.92 -4.96 115.29 122.65 1ujt s HIS 22 Ca 0.58 0.69 -0.34 0.00 -0.15 0.00 0.00 55.06 55.85 1ujt s HIS 22 Cb -0.32 -2.07 -0.15 0.00 1.11 0.00 0.00 32.58 31.16 1ujt s HIS 22 CO 0.32 0.67 1.07 -1.71 -0.85 0.00 0.00 174.74 174.23 1ujt n ASN 23 N 1.64 0.61 -4.56 1.40 5.15 -1.26 -4.38 115.26 113.87 1ujt n ASN 23 Ca -0.15 0.89 -0.32 0.00 -0.60 0.00 0.00 54.58 54.40 1ujt n ASN 23 Cb 0.53 -0.67 -0.04 0.00 -0.53 0.00 0.00 39.78 39.07 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ujt s PRO 24 N 1.52 2.58 0.15 1.20 0.04 -1.26 -4.83 135.00 134.40 1ujt s PRO 24 Ca 0.75 0.11 -0.33 0.00 0.04 0.00 0.00 61.00 61.57 1ujt s PRO 24 Cb -1.07 -4.77 -0.13 0.00 0.04 0.00 0.00 34.50 28.58 1ujt s PRO 24 CO 0.55 -3.10 1.68 0.28 0.04 0.00 0.00 177.00 176.46 1ujt n VAL 25 N 7.59 0.09 -3.11 -0.36 0.31 -1.17 -4.82 118.33 116.86 1ujt n VAL 25 Ca 0.31 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.21 1ujt n VAL 25 Cb 0.49 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 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 1.47 4.86 -0.17 2.52 0.11 -1.26 -2.29 120.40 125.64 1ujt s VAL 26 Ca 0.79 0.39 -0.21 0.00 -2.93 0.00 0.00 61.98 60.02 1ujt s VAL 26 Cb -0.60 -4.13 -0.18 0.00 -1.53 0.00 0.00 36.38 29.94 1ujt s VAL 26 CO 0.37 -0.43 0.31 -0.07 -3.33 0.00 0.00 175.10 171.95 1ujt h LEU 27 N 9.52 0.00 -8.44 2.54 -0.00 -1.92 -3.49 115.31 113.51 1ujt h LEU 27 Ca -0.26 -0.55 -0.21 0.00 -0.00 0.00 0.00 57.88 56.86 1ujt h LEU 27 Cb 1.10 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.62 1ujt h LEU 27 CO 0.86 1.19 -0.68 0.42 -0.00 0.00 0.00 178.44 180.22 1ujt s THR 28 N -2.25 0.52 -2.00 0.22 -4.23 -1.12 -5.02 115.64 101.77 1ujt s THR 28 Ca -0.22 -1.91 0.09 0.00 -1.18 0.00 0.00 61.69 58.46 1ujt s THR 28 Cb 0.02 -1.77 0.25 0.00 1.34 0.00 0.00 72.50 72.34 1ujt s THR 28 CO 0.53 -0.78 0.97 -0.81 -0.54 0.00 0.00 174.62 173.99 1ujt n PRO 29 N -0.05 0.49 0.00 3.99 -0.04 -1.26 -1.92 135.00 136.20 1ujt n PRO 29 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1ujt n PRO 29 Cb 0.62 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.78 0.32 -3.46 0.52 -2.24 -1.26 -3.20 114.28 104.18 1ujt n THR 30 Ca 0.07 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 1ujt n THR 30 Cb 0.03 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.32 0.00 -0.20 4.28 2.01 -0.81 -2.69 115.64 117.91 1ujt s THR 31 Ca 0.00 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 1ujt s THR 31 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.57 1ujt s THR 31 CO 0.00 -0.01 0.50 -0.69 -0.69 0.00 0.00 174.62 173.73 1ujt s VAL 32 N -2.93 -0.01 -0.11 3.82 1.01 -0.98 -2.79 120.40 118.41 1ujt s VAL 32 Ca -0.03 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1ujt s VAL 32 Cb -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1ujt s VAL 32 CO -0.06 0.02 0.67 -1.58 0.00 0.00 0.00 175.10 174.15 1ujt s GLN 33 N 1.08 4.36 -0.11 2.72 0.74 -0.97 -1.93 119.66 125.56 1ujt s GLN 33 Ca -0.07 0.78 -0.01 0.00 0.05 0.00 0.00 55.36 56.11 1ujt s GLN 33 Cb -0.06 -3.49 -0.03 0.00 1.10 0.00 0.00 33.01 30.53 1ujt s GLN 33 CO -0.10 -0.03 -0.07 0.08 -0.55 0.00 0.00 175.29 174.62 1ujt s VAL 34 N 1.17 3.65 0.10 1.34 1.01 -0.36 -3.06 120.40 124.26 1ujt s VAL 34 Ca 0.34 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1ujt s VAL 34 Cb -0.17 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1ujt s VAL 34 CO 0.15 0.55 -0.10 -0.89 0.00 0.00 0.00 175.10 174.81 1ujt s THR 35 N -0.22 0.97 -0.26 3.92 2.01 -1.26 -1.68 115.64 119.11 1ujt s THR 35 Ca 0.03 -1.71 -0.25 0.00 0.31 0.00 0.00 61.69 60.07 1ujt s THR 35 Cb -0.13 -1.44 0.09 0.00 0.01 0.00 0.00 72.50 71.04 1ujt s THR 35 CO 0.03 -0.59 0.86 -1.66 -0.69 0.00 0.00 174.62 172.57 1ujt s TRP 36 N -2.60 -0.64 0.24 4.92 -2.14 -1.10 -2.17 118.94 115.46 1ujt s TRP 36 Ca 0.07 1.53 0.08 0.00 2.66 0.00 0.00 56.10 60.44 1ujt s TRP 36 Cb -0.02 0.32 -0.04 0.00 -3.10 0.00 0.00 33.47 30.63 1ujt s TRP 36 CO -0.00 -0.32 0.11 -0.08 -2.66 0.00 0.00 176.95 174.00 1ujt s THR 37 N 0.22 4.08 -0.04 0.66 -1.32 -0.60 -4.81 115.64 113.82 1ujt s THR 37 Ca 0.01 -1.53 -0.01 0.00 -1.21 0.00 0.00 61.69 58.95 1ujt s THR 37 Cb -0.05 -3.17 0.03 0.00 -1.51 0.00 0.00 72.50 67.80 1ujt s THR 37 CO -0.02 -0.31 0.03 0.68 -2.21 0.00 0.00 174.62 172.80 1ujt s VAL 38 N -2.11 0.02 0.12 5.08 -7.23 -1.26 -0.78 120.40 114.23 1ujt s VAL 38 Ca 0.32 0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 60.51 1ujt s VAL 38 Cb -0.08 -0.20 -0.06 0.00 0.56 0.00 0.00 36.38 36.60 1ujt s VAL 38 CO 0.23 0.16 1.67 0.44 -0.31 0.00 0.00 175.10 177.28 1ujt h ASP 39 N 7.86 -0.46 -3.88 4.85 3.32 -1.93 -3.36 116.42 122.83 1ujt h ASP 39 Ca -0.29 0.07 -0.64 0.00 0.02 0.00 0.00 57.03 56.20 1ujt h ASP 39 Cb 1.12 0.20 -0.40 0.00 0.22 0.00 0.00 39.33 40.47 1ujt h ASP 39 CO 0.32 -0.21 -0.69 -0.13 -1.72 0.00 0.00 179.24 176.81 1ujt s ARG 40 N -6.13 1.57 -0.15 3.56 0.52 -1.26 -5.06 118.95 111.99 1ujt s ARG 40 Ca -0.15 -2.12 -0.32 0.00 -0.52 0.00 0.00 55.73 52.63 1ujt s ARG 40 Cb 0.09 -2.97 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 1ujt s ARG 40 CO 0.67 -1.05 2.06 0.94 0.02 0.00 0.00 175.30 177.93 1ujt n GLN 41 N 3.73 2.07 -2.23 3.54 7.27 -1.26 -4.85 117.38 125.64 1ujt n GLN 41 Ca 0.05 0.68 -0.41 0.00 0.07 0.00 0.00 57.00 57.39 1ujt n GLN 41 Cb 0.37 -2.87 -0.03 0.00 2.41 0.00 0.00 30.24 30.11 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 5.23 4.40 -0.11 3.69 0.04 -1.26 -4.96 135.00 142.04 1ujt s PRO 42 Ca 0.97 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 63.90 1ujt s PRO 42 Cb -0.56 -3.18 -0.27 0.00 0.04 0.00 0.00 34.50 30.53 1ujt s PRO 42 CO 0.44 -0.21 0.55 -0.56 0.04 0.00 0.00 177.00 177.26 1ujt h GLN 43 N 5.03 0.24 -0.99 4.56 3.07 -2.00 -3.36 115.11 121.67 1ujt h GLN 43 Ca -0.45 -0.40 0.01 0.00 0.09 0.00 0.00 58.65 57.89 1ujt h GLN 43 Cb 1.22 0.15 -0.05 0.00 0.08 0.00 0.00 27.48 28.88 1ujt h GLN 43 CO 0.75 1.19 0.65 0.27 0.09 0.00 0.00 178.83 181.78 1ujt h PHE 44 N -0.32 1.25 -0.83 0.06 -0.00 -1.93 -3.44 116.94 111.73 1ujt h PHE 44 Ca -0.30 0.03 -0.58 0.00 -0.00 0.00 0.00 57.97 57.11 1ujt h PHE 44 Cb 1.75 -0.42 0.08 0.00 -0.00 0.00 0.00 35.95 37.36 1ujt h PHE 44 CO 0.12 0.79 -0.35 1.51 -0.00 0.00 0.00 178.31 180.38 1ujt n ILE 45 N -4.39 1.36 -0.00 0.88 3.06 -1.26 -4.87 119.36 114.14 1ujt n ILE 45 Ca 0.12 -0.34 -0.07 0.00 -2.50 0.00 0.00 62.75 59.95 1ujt n ILE 45 Cb 0.02 0.00 -0.13 0.00 0.54 0.00 0.00 39.64 40.07 1ujt n ILE 45 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 1ujt h GLN 46 N 1.14 0.00 0.00 9.51 1.08 -1.68 -3.45 115.11 121.71 1ujt h GLN 46 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1ujt h GLN 46 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1ujt h GLN 46 CO 0.49 0.51 0.00 0.41 -0.95 0.00 0.00 178.83 179.29 1ujt n GLY 47 N 1.51 0.85 3.31 3.46 0.00 -1.23 -3.77 105.19 109.32 1ujt n GLY 47 Ca -0.14 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 1.09 -0.77 -0.37 1.61 2.02 -1.26 -4.11 117.35 115.56 1ujt s TYR 48 Ca 0.00 1.52 -0.20 0.00 -0.37 0.00 0.00 57.07 58.02 1ujt s TYR 48 Cb 0.00 0.34 0.01 0.00 -0.40 0.00 0.00 41.96 41.90 1ujt s TYR 48 CO 0.00 -0.45 0.63 0.50 -1.57 0.00 0.00 175.55 174.67 1ujt s ARG 49 N 2.15 3.61 -0.78 -0.62 3.52 -1.01 -3.11 118.95 122.71 1ujt s ARG 49 Ca -0.05 -0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 1ujt s ARG 49 Cb -0.10 -3.83 0.21 0.00 -1.56 0.00 0.00 34.95 29.66 1ujt s ARG 49 CO -0.13 -0.78 0.70 0.08 -0.81 0.00 0.00 175.30 174.36 1ujt s VAL 50 N 2.71 5.29 0.02 7.11 1.01 -1.19 -2.97 120.40 132.38 1ujt s VAL 50 Ca 0.24 -2.50 -0.27 0.00 0.00 0.00 0.00 61.98 59.45 1ujt s VAL 50 Cb -0.14 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1ujt s VAL 50 CO 0.15 -1.00 0.84 -0.04 0.00 0.00 0.00 175.10 175.05 1ujt s MET 51 N 0.20 4.54 0.10 2.72 -1.94 -1.17 -1.11 119.30 122.64 1ujt s MET 51 Ca 0.17 1.18 -0.07 0.00 -1.71 0.00 0.00 55.69 55.26 1ujt s MET 51 Cb -0.13 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.29 1ujt s MET 51 CO -0.07 0.15 0.15 1.52 -0.01 0.00 0.00 175.02 176.76 1ujt s TYR 52 N 0.37 0.32 0.02 -0.03 1.13 -0.86 -2.23 117.35 116.07 1ujt s TYR 52 Ca 0.43 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 55.05 1ujt s TYR 52 Cb -0.21 -0.15 0.10 0.00 -1.10 0.00 0.00 41.96 40.61 1ujt s TYR 52 CO 0.24 -0.54 1.23 -0.98 -2.51 0.00 0.00 175.55 173.00 1ujt s ARG 53 N -3.90 0.56 0.13 -3.49 1.70 -1.18 -1.49 118.95 111.28 1ujt s ARG 53 Ca 0.09 -0.34 -0.14 0.00 -0.47 0.00 0.00 55.73 54.87 1ujt s ARG 53 Cb 0.05 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.54 1ujt s ARG 53 CO -0.08 -0.26 0.54 -1.14 -1.08 0.00 0.00 175.30 173.28 1ujt s GLN 54 N -2.31 3.98 -0.27 3.89 0.74 -1.26 -2.41 119.66 122.01 1ujt s GLN 54 Ca 0.20 0.48 -0.07 0.00 0.05 0.00 0.00 55.36 56.03 1ujt s GLN 54 Cb 0.02 -2.96 -0.15 0.00 1.10 0.00 0.00 33.01 31.02 1ujt s GLN 54 CO -0.01 0.50 -0.28 0.25 -0.55 0.00 0.00 175.29 175.19 1ujt n THR 55 N 0.89 1.51 -4.91 -0.34 -2.24 -1.21 -2.51 114.28 105.48 1ujt n THR 55 Ca -0.06 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.92 1ujt n THR 55 Cb 0.52 -1.67 -0.14 0.00 -2.10 0.00 0.00 70.33 66.94 1ujt n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ujt s SER 56 N -7.04 3.90 0.00 3.42 0.01 -1.26 -4.47 113.70 108.26 1ujt s SER 56 Ca -0.37 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1ujt s SER 56 Cb 0.12 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1ujt s SER 56 CO 0.55 0.28 0.00 0.61 0.41 0.00 0.00 173.24 175.08 1ujt n GLY 57 N 2.76 0.54 0.07 3.44 0.00 -1.26 -4.62 105.19 106.12 1ujt n GLY 57 Ca -0.17 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.00 0.00 0.99 7.12 -1.99 -3.26 115.31 118.17 1ujt h LEU 58 Ca 0.00 -0.84 0.00 0.00 0.13 0.00 0.00 57.88 57.17 1ujt h LEU 58 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ujt h LEU 58 CO 0.00 0.92 0.00 0.00 -0.13 0.00 0.00 178.44 179.23 1ujt n GLN 59 N -4.64 0.06 -1.70 1.25 1.13 -1.26 -4.62 117.38 107.60 1ujt n GLN 59 Ca -0.09 0.28 -0.34 0.00 -1.94 0.00 0.00 57.00 54.91 1ujt n GLN 59 Cb 0.41 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.32 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 -2.78 2.35 -0.39 -1.58 0.00 -1.23 -2.88 121.76 115.25 1ujt s ALA 60 Ca 0.06 0.77 -0.05 0.00 0.00 0.00 0.00 51.96 52.74 1ujt s ALA 60 Cb 0.05 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.82 1ujt s ALA 60 CO 0.14 -1.47 0.12 -2.37 0.00 0.00 0.00 175.76 172.19 1ujt n THR 61 N -2.34 0.00 -0.09 0.00 5.66 -1.04 -4.71 114.28 111.76 1ujt n THR 61 Ca 0.12 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.01 1ujt n THR 61 Cb 0.51 -0.10 -0.04 0.00 -1.55 0.00 0.00 70.33 69.14 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 1.88 -3.45 1.09 2.88 -1.14 -5.01 113.62 108.58 1ujt n SER 62 Ca 0.02 0.46 0.01 0.00 -1.33 0.00 0.00 58.87 58.04 1ujt n SER 62 Cb 0.37 -0.83 -0.03 0.00 -0.75 0.00 0.00 64.21 62.97 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 -6.13 -1.10 0.41 -3.46 0.01 -1.26 -5.15 113.70 97.02 1ujt s SER 63 Ca -0.24 1.21 -0.26 0.00 1.31 0.00 0.00 55.95 57.96 1ujt s SER 63 Cb 0.05 2.13 -0.09 0.00 0.21 0.00 0.00 66.02 68.32 1ujt s SER 63 CO 0.37 -0.21 1.31 0.26 0.41 0.00 0.00 173.24 175.38 1ujt s TRP 64 N 2.83 2.80 0.44 2.43 0.52 -1.26 -4.91 118.94 121.78 1ujt s TRP 64 Ca 0.02 1.41 0.07 0.00 0.02 0.00 0.00 56.10 57.61 1ujt s TRP 64 Cb -0.12 -3.67 -0.04 0.00 -1.15 0.00 0.00 33.47 28.49 1ujt s TRP 64 CO -0.19 -2.12 0.21 -0.65 0.02 0.00 0.00 176.95 174.21 1ujt s GLN 65 N -2.27 2.24 -0.15 4.98 -0.21 -0.56 -4.99 119.66 118.70 1ujt s GLN 65 Ca 0.57 -1.90 -0.08 0.00 0.02 0.00 0.00 55.36 53.98 1ujt s GLN 65 Cb -0.38 -1.98 0.05 0.00 1.00 0.00 0.00 33.01 31.70 1ujt s GLN 65 CO 0.49 -0.21 0.35 0.54 -2.12 0.00 0.00 175.29 174.34 1ujt s ASN 66 N -3.96 -0.43 -0.56 5.90 2.20 -1.26 -2.02 114.94 114.80 1ujt s ASN 66 Ca 0.38 0.76 -0.05 0.00 -0.94 0.00 0.00 52.86 53.01 1ujt s ASN 66 Cb 0.03 0.65 0.15 0.00 -2.00 0.00 0.00 41.25 40.07 1ujt s ASN 66 CO 0.21 -0.18 0.40 -0.22 -2.94 0.00 0.00 177.10 174.36 1ujt s LEU 67 N 1.33 5.49 -0.23 3.54 2.96 -0.26 -4.94 118.68 126.57 1ujt s LEU 67 Ca -0.09 -2.44 -0.29 0.00 -0.22 0.00 0.00 54.13 51.09 1ujt s LEU 67 Cb -0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 1ujt s LEU 67 CO -0.11 -0.50 1.75 1.51 -1.32 0.00 0.00 176.35 177.67 1ujt s ASP 68 N 1.53 6.17 0.25 3.68 1.47 -1.26 -3.20 116.67 125.31 1ujt s ASP 68 Ca 0.13 1.64 0.01 0.00 1.18 0.00 0.00 52.55 55.50 1ujt s ASP 68 Cb -0.21 -2.53 0.30 0.00 -0.34 0.00 0.00 42.92 40.14 1ujt s ASP 68 CO -0.04 -1.43 1.65 0.00 0.68 0.00 0.00 175.17 176.03 1ujt h ALA 69 N 11.69 0.96 -5.82 2.11 0.00 -1.96 -3.47 119.26 122.77 1ujt h ALA 69 Ca -0.36 -0.41 -0.39 0.00 0.00 0.00 0.00 54.91 53.76 1ujt h ALA 69 Cb 1.17 -0.11 0.14 0.00 0.00 0.00 0.00 17.79 18.99 1ujt h ALA 69 CO 1.00 0.61 -0.69 1.63 0.00 0.00 0.00 179.25 181.80 1ujt n LYS 70 N -4.06 -7.78 -3.15 0.00 5.02 -1.26 -4.98 118.16 101.95 1ujt n LYS 70 Ca -0.01 0.83 0.05 0.00 -2.02 0.00 0.00 58.31 57.16 1ujt n LYS 70 Cb 0.48 -5.89 -0.01 0.00 -0.02 0.00 0.00 35.03 29.59 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 -3.33 -0.53 0.15 -0.18 0.11 -1.26 -5.02 120.40 110.33 1ujt s VAL 71 Ca 0.49 0.00 0.32 0.00 -2.93 0.00 0.00 61.98 59.86 1ujt s VAL 71 Cb -0.22 -0.86 0.36 0.00 -1.53 0.00 0.00 36.38 34.14 1ujt s VAL 71 CO 0.73 0.00 1.98 1.55 -3.33 0.00 0.00 175.10 176.03 1ujt h PRO 72 N 7.86 0.00 -0.81 1.54 0.13 -1.87 -2.75 132.00 136.09 1ujt h PRO 72 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.01 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.08 1ujt n THR 73 N -3.18 0.61 -4.33 1.56 -2.24 -1.26 -4.76 114.28 100.69 1ujt n THR 73 Ca 0.00 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 1ujt n THR 73 Cb 0.32 -0.37 -0.16 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.47 1.16 -0.20 -0.78 0.41 -1.04 -5.02 118.70 111.77 1ujt s GLU 74 Ca 0.13 -0.22 0.12 0.00 -0.41 0.00 0.00 54.97 54.58 1ujt s GLU 74 Cb 0.10 -1.06 0.41 0.00 -1.78 0.00 0.00 34.13 31.80 1ujt s GLU 74 CO 0.04 -0.04 1.21 0.54 -0.49 0.00 0.00 175.26 176.53 1ujt n ARG 75 N 3.95 1.54 -3.69 1.61 3.00 -1.26 -4.91 116.66 116.90 1ujt n ARG 75 Ca -0.24 -3.22 -0.14 0.00 -0.01 0.00 0.00 57.85 54.23 1ujt n ARG 75 Cb 0.51 -1.58 -0.09 0.00 0.00 0.00 0.00 32.46 31.30 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 -3.19 -0.52 0.34 0.55 1.04 -1.26 -2.70 113.70 107.96 1ujt s SER 76 Ca 0.37 0.91 0.05 0.00 0.48 0.00 0.00 55.95 57.76 1ujt s SER 76 Cb 0.36 0.93 -0.02 0.00 0.10 0.00 0.00 66.02 67.39 1ujt s SER 76 CO -0.06 -0.26 0.34 0.00 0.98 0.00 0.00 173.24 174.24 1ujt s ALA 77 N -0.06 1.58 -0.09 5.32 0.00 -0.67 -5.01 121.76 122.82 1ujt s ALA 77 Ca -0.03 -1.93 -0.03 0.00 0.00 0.00 0.00 51.96 49.97 1ujt s ALA 77 Cb -0.03 1.39 0.05 0.00 0.00 0.00 0.00 23.12 24.52 1ujt s ALA 77 CO 0.02 -0.70 0.13 0.08 0.00 0.00 0.00 175.76 175.28 1ujt s VAL 78 N -3.30 -0.20 -0.39 0.00 1.01 -1.26 -1.22 120.40 115.04 1ujt s VAL 78 Ca 0.38 0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.42 1ujt s VAL 78 Cb 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.09 1ujt s VAL 78 CO 0.26 0.07 0.71 -0.76 0.00 0.00 0.00 175.10 175.38 1ujt s LEU 79 N 2.24 4.25 0.00 3.92 1.43 -0.81 -4.94 118.68 124.78 1ujt s LEU 79 Ca 0.04 0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1ujt s LEU 79 Cb -0.13 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.25 1ujt s LEU 79 CO -0.06 -0.72 0.34 1.33 0.23 0.00 0.00 176.35 177.47 1ujt n VAL 80 N 5.79 0.00 -4.07 -1.59 0.24 -1.26 -2.32 118.33 115.12 1ujt n VAL 80 Ca 0.01 -0.91 -0.30 0.00 -2.04 0.00 0.00 64.34 61.10 1ujt n VAL 80 Cb 0.48 -0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 32.12 1ujt n VAL 80 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ujt n ASN 81 N -2.58 -1.37 -4.99 -1.34 0.23 -1.13 -4.92 115.26 99.15 1ujt n ASN 81 Ca 0.06 -1.02 -0.19 0.00 -0.53 0.00 0.00 54.58 52.91 1ujt n ASN 81 Cb 0.28 -2.89 0.00 0.00 -2.08 0.00 0.00 39.78 35.10 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ujt s LEU 82 N -7.11 3.82 0.36 -4.53 1.43 -1.10 -5.07 118.68 106.49 1ujt s LEU 82 Ca 0.27 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 1ujt s LEU 82 Cb -0.15 -2.75 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 1ujt s LEU 82 CO 0.91 -0.59 0.89 -0.75 0.23 0.00 0.00 176.35 177.03 1ujt s LYS 83 N -4.28 4.27 -0.15 1.70 2.47 -1.26 -4.58 119.74 117.91 1ujt s LYS 83 Ca 0.49 1.06 -0.08 0.00 -1.56 0.00 0.00 55.97 55.88 1ujt s LYS 83 Cb -0.10 -2.44 -0.04 0.00 -1.46 0.00 0.00 37.83 33.79 1ujt s LYS 83 CO 0.32 0.12 0.14 0.15 0.16 0.00 0.00 175.35 176.24 1ujt s LYS 84 N -2.76 3.70 -0.47 4.03 1.02 -1.19 -4.54 119.74 119.51 1ujt s LYS 84 Ca 0.56 -0.15 -0.02 0.00 0.02 0.00 0.00 55.97 56.38 1ujt s LYS 84 Cb -0.12 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 33.90 1ujt s LYS 84 CO 0.17 0.62 0.41 0.41 -0.92 0.00 0.00 175.35 176.03 1ujt n GLY 85 N 2.49 0.05 3.63 -3.33 0.00 0.15 -4.94 105.19 103.25 1ujt n GLY 85 Ca -0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.16 0.00 0.58 1.61 0.11 -1.15 -4.99 120.40 113.40 1ujt s VAL 86 Ca 0.12 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 1ujt s VAL 86 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1ujt s VAL 86 CO 0.31 0.00 1.12 -0.89 -3.33 0.00 0.00 175.10 172.31 1ujt s THR 87 N -0.14 3.22 -0.04 5.04 2.01 -1.26 -2.86 115.64 121.60 1ujt s THR 87 Ca 0.04 0.69 -0.00 0.00 0.31 0.00 0.00 61.69 62.73 1ujt s THR 87 Cb -0.04 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.26 1ujt s THR 87 CO -0.08 -0.23 0.01 -0.31 -0.69 0.00 0.00 174.62 173.32 1ujt s TYR 88 N -1.97 0.41 -0.38 4.92 2.02 -0.54 -3.36 117.35 118.45 1ujt s TYR 88 Ca 0.71 -0.02 -0.15 0.00 -0.37 0.00 0.00 57.07 57.24 1ujt s TYR 88 Cb -0.22 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 1ujt s TYR 88 CO 0.32 -0.20 0.31 -2.00 -1.57 0.00 0.00 175.55 172.40 1ujt s GLU 89 N 1.47 3.25 0.05 -0.62 2.56 -1.01 -0.21 118.70 124.19 1ujt s GLU 89 Ca -0.03 -0.77 0.08 0.00 0.00 0.00 0.00 54.97 54.25 1ujt s GLU 89 Cb -0.13 -3.90 -0.03 0.00 2.00 0.00 0.00 34.13 32.08 1ujt s GLU 89 CO -0.03 -0.63 -0.23 0.42 -0.56 0.00 0.00 175.26 174.24 1ujt s ILE 90 N 1.81 1.83 -0.01 -3.70 1.09 -0.06 -3.10 121.20 119.06 1ujt s ILE 90 Ca 0.07 -1.31 -0.03 0.00 -1.10 0.00 0.00 60.65 58.29 1ujt s ILE 90 Cb -0.18 -1.59 -0.00 0.00 -1.06 0.00 0.00 42.46 39.63 1ujt s ILE 90 CO 0.11 0.22 0.05 -1.59 -0.10 0.00 0.00 174.94 173.63 1ujt s LYS 91 N -1.31 0.20 -0.14 2.79 0.00 -0.95 -0.67 119.74 119.66 1ujt s LYS 91 Ca 0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 55.97 55.86 1ujt s LYS 91 Cb -0.09 0.08 -0.04 0.00 0.00 0.00 0.00 37.83 37.78 1ujt s LYS 91 CO 0.02 -0.04 0.03 0.08 0.00 0.00 0.00 175.35 175.45 1ujt s VAL 92 N -0.54 4.57 -0.12 1.79 1.01 -1.26 -3.04 120.40 122.81 1ujt s VAL 92 Ca -0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1ujt s VAL 92 Cb -0.04 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.40 1ujt s VAL 92 CO 0.00 0.54 0.28 0.00 0.00 0.00 0.00 175.10 175.92 1ujt s ARG 93 N -0.25 0.23 0.75 2.72 1.70 -1.16 -1.34 118.95 121.60 1ujt s ARG 93 Ca 0.07 0.63 -0.11 0.00 -0.47 0.00 0.00 55.73 55.84 1ujt s ARG 93 Cb -0.12 -0.08 0.04 0.00 -0.57 0.00 0.00 34.95 34.22 1ujt s ARG 93 CO 0.02 -0.19 1.10 -1.25 -1.08 0.00 0.00 175.30 173.90 1ujt s PRO 94 N 1.52 2.38 -0.17 3.89 0.04 -1.26 -2.40 135.00 139.00 1ujt s PRO 94 Ca -0.07 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1ujt s PRO 94 Cb -0.10 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1ujt s PRO 94 CO -0.09 -1.55 0.85 1.52 0.04 0.00 0.00 177.00 177.76 1ujt s TYR 95 N -2.78 -0.56 0.00 0.56 -0.85 -1.26 -0.43 117.35 112.04 1ujt s TYR 95 Ca 0.62 1.12 0.00 0.00 -0.52 0.00 0.00 57.07 58.30 1ujt s TYR 95 Cb -0.18 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1ujt s TYR 95 CO 0.53 -0.41 0.00 0.34 -1.52 0.00 0.00 175.55 174.48 1ujt n PHE 96 N 1.41 0.00 -0.01 -3.49 7.35 -1.23 -2.88 117.46 118.61 1ujt n PHE 96 Ca -0.14 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.49 1ujt n PHE 96 Cb 0.57 -0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.35 1ujt n PHE 96 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ujt n ASN 97 N -2.06 1.05 0.00 -2.13 4.13 -1.26 -4.12 115.26 110.86 1ujt n ASN 97 Ca 0.00 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1ujt n ASN 97 Cb 0.00 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 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 -3.62 0.00 -0.88 3.52 0.28 -1.26 -5.10 120.64 113.58 1ujt n GLU 98 Ca -0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.60 1ujt n GLU 98 Cb 0.35 -0.44 0.17 0.00 1.43 0.00 0.00 31.44 32.95 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 -1.68 1.89 -0.03 -1.84 -0.12 -1.26 -5.05 117.98 109.89 1ujt s PHE 99 Ca 0.00 1.49 0.02 0.00 -0.05 0.00 0.00 56.93 58.39 1ujt s PHE 99 Cb 0.00 -3.20 0.01 0.00 -0.63 0.00 0.00 43.02 39.20 1ujt s PHE 99 CO 0.00 -2.78 -0.06 1.14 -0.05 0.00 0.00 175.22 173.48 1ujt s GLN 100 N -4.72 0.71 0.00 1.99 0.00 -1.26 -3.48 119.66 112.90 1ujt s GLN 100 Ca 0.65 -0.17 0.00 0.00 -0.00 0.00 0.00 55.36 55.84 1ujt s GLN 100 Cb -0.21 -0.71 0.00 0.00 0.00 0.00 0.00 33.01 32.09 1ujt s GLN 100 CO 0.59 0.02 0.00 0.41 0.00 0.00 0.00 175.29 176.31 1ujt n GLY 101 N 3.53 -3.39 3.63 2.60 0.00 0.43 -4.90 105.19 107.10 1ujt n GLY 101 Ca -0.20 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 1ujt n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ujt s MET 102 N 0.00 4.09 0.04 1.61 -1.94 -1.26 -4.86 119.30 116.98 1ujt s MET 102 Ca 0.00 0.21 -0.31 0.00 -1.71 0.00 0.00 55.69 53.88 1ujt s MET 102 Cb 0.00 -3.62 -0.06 0.00 2.01 0.00 0.00 34.83 33.16 1ujt s MET 102 CO 0.00 -0.23 1.31 0.16 -0.01 0.00 0.00 175.02 176.25 1ujt s ASP 103 N 1.41 6.94 1.06 3.03 1.47 -1.26 -4.58 116.67 124.74 1ujt s ASP 103 Ca 0.19 2.10 -0.13 0.00 1.18 0.00 0.00 52.55 55.89 1ujt s ASP 103 Cb -0.15 -2.57 0.22 0.00 -0.34 0.00 0.00 42.92 40.07 1ujt s ASP 103 CO 0.09 -0.60 1.08 -0.94 0.68 0.00 0.00 175.17 175.47 1ujt s SER 104 N 1.36 2.08 -0.03 2.11 1.04 -0.45 -4.90 113.70 114.91 1ujt s SER 104 Ca 0.61 1.19 -0.30 0.00 0.48 0.00 0.00 55.95 57.94 1ujt s SER 104 Cb -0.31 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 63.87 1ujt s SER 104 CO 0.28 -3.47 1.89 -1.61 0.98 0.00 0.00 173.24 171.30 1ujt s GLU 105 N -4.89 4.04 -0.08 4.02 0.41 -1.26 -4.65 118.70 116.28 1ujt s GLU 105 Ca 0.66 2.39 -0.34 0.00 -0.41 0.00 0.00 54.97 57.27 1ujt s GLU 105 Cb -0.19 -4.13 -0.12 0.00 -1.78 0.00 0.00 34.13 27.91 1ujt s GLU 105 CO 0.59 -1.05 1.87 -1.13 -0.49 0.00 0.00 175.26 175.04 1ujt n SER 106 N 7.88 3.42 -4.84 -0.19 3.41 -1.26 -4.87 113.62 117.16 1ujt n SER 106 Ca 0.20 0.98 -0.37 0.00 -0.26 0.00 0.00 58.87 59.42 1ujt n SER 106 Cb 0.42 -1.37 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 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 3.96 3.43 -0.16 4.33 -0.14 0.15 -4.90 119.74 126.40 1ujt s LYS 107 Ca 0.92 -0.18 -0.06 0.00 -1.36 0.00 0.00 55.97 55.29 1ujt s LYS 107 Cb -0.70 -3.15 -0.04 0.00 -1.68 0.00 0.00 37.83 32.26 1ujt s LYS 107 CO 0.51 0.73 0.05 0.95 -0.76 0.00 0.00 175.35 176.84 1ujt s THR 108 N -0.91 4.68 -0.24 2.17 -4.23 -1.26 -0.88 115.64 114.98 1ujt s THR 108 Ca 0.14 -0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1ujt s THR 108 Cb -0.12 -3.08 0.05 0.00 1.34 0.00 0.00 72.50 70.69 1ujt s THR 108 CO 0.03 0.49 -0.13 0.54 -0.54 0.00 0.00 174.62 175.02 1ujt s VAL 109 N 0.13 2.09 -0.50 2.29 0.11 0.71 -4.84 120.40 120.39 1ujt s VAL 109 Ca 0.04 -1.44 -0.25 0.00 -2.93 0.00 0.00 61.98 57.40 1ujt s VAL 109 Cb -0.12 -2.14 0.03 0.00 -1.53 0.00 0.00 36.38 32.62 1ujt s VAL 109 CO 0.01 0.11 0.96 -0.60 -3.33 0.00 0.00 175.10 172.24 1ujt s ARG 110 N 1.17 3.47 -0.56 1.54 3.52 -1.26 -1.46 118.95 125.36 1ujt s ARG 110 Ca -0.05 0.04 -0.27 0.00 -0.13 0.00 0.00 55.73 55.32 1ujt s ARG 110 Cb -0.18 -3.97 0.03 0.00 -1.56 0.00 0.00 34.95 29.27 1ujt s ARG 110 CO -0.07 -1.35 1.13 0.95 -0.81 0.00 0.00 175.30 175.14 1ujt s THR 111 N 3.95 4.13 1.00 4.11 -4.23 -1.14 -4.96 115.64 118.50 1ujt s THR 111 Ca 0.36 0.80 -0.20 0.00 -1.18 0.00 0.00 61.69 61.46 1ujt s THR 111 Cb -0.11 -4.67 -0.02 0.00 1.34 0.00 0.00 72.50 69.05 1ujt s THR 111 CO 0.24 -1.24 -0.61 1.07 -0.54 0.00 0.00 174.62 173.54 1ujt n THR 112 N 6.58 0.00 -0.09 3.99 5.66 -1.26 -0.67 114.28 128.49 1ujt n THR 112 Ca 0.07 -0.11 -0.21 0.00 -3.05 0.00 0.00 64.05 60.75 1ujt n THR 112 Cb 0.49 -0.29 -0.12 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.21 0.67 -4.34 1.09 1.02 -1.26 -2.19 120.64 115.84 1ujt n GLU 113 Ca 0.00 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.13 1ujt n GLU 113 Cb 0.59 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 1ujt n GLU 113 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ujt s GLU 114 N -2.52 1.28 0.19 3.49 2.02 -1.26 -4.82 118.70 117.08 1ujt s GLU 114 Ca -0.31 -1.37 -0.24 0.00 0.02 0.00 0.00 54.97 53.07 1ujt s GLU 114 Cb 0.09 -1.45 0.08 0.00 0.10 0.00 0.00 34.13 32.95 1ujt s GLU 114 CO 0.64 0.31 1.55 0.77 0.02 0.00 0.00 175.26 178.55 1ujt h SER 115 N 3.46 -1.70 -4.19 -0.19 0.02 -2.00 -3.48 113.55 105.47 1ujt h SER 115 Ca -0.44 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1ujt h SER 115 Cb 1.20 0.80 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1ujt h SER 115 CO 0.47 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 1ujt n GLY 116 N -1.38 1.87 0.22 -3.77 0.00 -1.26 -4.93 105.19 95.94 1ujt n GLY 116 Ca 0.05 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 1ujt n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujt h PRO 117 N 0.00 0.73 -6.03 1.61 0.13 -2.08 -3.44 132.00 122.93 1ujt h PRO 117 Ca 0.00 -0.39 -0.65 0.00 -0.87 0.00 0.00 66.00 64.09 1ujt h PRO 117 Cb 0.00 0.02 -0.31 0.00 0.13 0.00 0.00 31.00 30.84 1ujt h PRO 117 CO 0.00 1.01 -0.87 -1.12 -0.23 0.00 0.00 178.00 176.79 1ujt s SER 118 N -6.59 2.77 0.17 1.44 0.01 -1.26 -5.12 113.70 105.13 1ujt s SER 118 Ca -0.12 -0.45 -0.24 0.00 1.31 0.00 0.00 55.95 56.46 1ujt s SER 118 Cb 0.09 -0.57 0.07 0.00 0.21 0.00 0.00 66.02 65.82 1ujt s SER 118 CO 0.84 0.25 0.99 -0.94 0.41 0.00 0.00 173.24 174.78 1ujt s SER 119 N -0.30 -0.10 0.00 2.44 1.04 -1.26 -5.13 113.70 110.39 1ujt s SER 119 Ca 0.02 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1ujt s SER 119 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1ujt s SER 119 CO 0.01 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.88