#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 4.96 0.16 1.61 1.04 -1.26 -5.12 113.70 115.10 1ujt s SER 2 Ca 0.00 -0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.14 1ujt s SER 2 Cb 0.00 -1.23 0.05 0.00 0.10 0.00 0.00 66.02 64.94 1ujt s SER 2 CO 0.00 0.25 0.52 -0.44 0.98 0.00 0.00 173.24 174.55 1ujt s SER 3 N -1.74 -0.37 0.00 7.02 0.01 -1.26 -5.13 113.70 112.23 1ujt s SER 3 Ca 0.21 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1ujt s SER 3 Cb -0.11 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1ujt s SER 3 CO 0.12 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1ujt n GLY 4 N -0.32 -0.15 3.25 3.44 0.00 -1.26 -5.10 105.19 105.05 1ujt n GLY 4 Ca -0.14 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.30 0.44 1.61 0.15 -1.26 -5.17 113.70 105.17 1ujt s SER 5 Ca 0.00 0.35 -0.08 0.00 0.70 0.00 0.00 55.95 56.92 1ujt s SER 5 Cb 0.00 1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 65.58 1ujt s SER 5 CO 0.00 -0.06 0.77 -0.44 1.20 0.00 0.00 173.24 174.72 1ujt s SER 6 N 2.40 6.39 -0.62 5.45 0.01 -1.26 -4.28 113.70 121.80 1ujt s SER 6 Ca -0.01 1.03 -0.03 0.00 1.31 0.00 0.00 55.95 58.25 1ujt s SER 6 Cb -0.05 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1ujt s SER 6 CO -0.15 -0.48 0.34 0.61 0.41 0.00 0.00 173.24 173.96 1ujt n GLY 7 N -1.75 0.23 0.13 3.44 0.00 -1.26 -4.96 105.19 101.02 1ujt n GLY 7 Ca 0.01 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1ujt n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ujt n ARG 8 N -2.20 0.63 -0.15 1.61 0.63 -1.26 -4.18 116.66 111.75 1ujt n ARG 8 Ca -0.03 0.36 0.01 0.00 -0.92 0.00 0.00 57.85 57.28 1ujt n ARG 8 Cb 0.54 -1.65 0.07 0.00 0.45 0.00 0.00 32.46 31.87 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ujt n GLN 9 N -3.98 1.64 -0.09 -0.14 7.27 -1.26 -4.04 117.38 116.79 1ujt n GLN 9 Ca -0.39 -0.53 -0.12 0.00 0.07 0.00 0.00 57.00 56.02 1ujt n GLN 9 Cb 0.87 -1.58 -0.05 0.00 2.41 0.00 0.00 30.24 31.89 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 0.69 1.30 0.00 1.69 3.04 -1.98 0.26 116.25 121.25 1ujt h VAL 10 Ca 0.00 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 1ujt h VAL 10 Cb 0.70 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1ujt h VAL 10 CO 0.08 0.37 0.00 0.00 -1.01 0.00 0.00 177.57 177.01 1ujt n GLN 11 N -4.49 0.94 -0.02 4.17 6.02 -1.26 -2.17 117.38 120.57 1ujt n GLN 11 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.92 1ujt n GLN 11 Cb 0.34 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 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 -0.98 0.17 0.26 -1.09 4.81 -1.02 -4.56 118.16 115.76 1ujt n LYS 12 Ca 0.22 0.07 0.11 0.00 -0.87 0.00 0.00 58.31 57.83 1ujt n LYS 12 Cb 0.10 -0.70 0.72 0.00 0.02 0.00 0.00 35.03 35.17 1ujt n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ujt h GLU 13 N -0.32 0.00 0.50 1.64 4.81 -0.62 0.03 114.58 120.62 1ujt h GLU 13 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ujt h GLU 13 Cb 0.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1ujt h GLU 13 CO 0.00 0.07 -0.45 1.25 -0.73 0.00 0.00 179.01 179.15 1ujt h LEU 14 N 0.00 -1.22 0.06 1.64 5.85 -1.57 -2.92 115.31 117.14 1ujt h LEU 14 Ca -0.00 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1ujt h LEU 14 Cb 0.15 0.40 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1ujt h LEU 14 CO 0.01 -0.61 -0.48 1.23 -0.34 0.00 0.00 178.44 178.25 1ujt h GLY 15 N -0.94 0.25 -0.73 3.75 0.00 -1.77 -3.36 103.07 100.28 1ujt h GLY 15 Ca -0.06 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.79 1ujt h GLY 15 CO -0.03 0.48 -0.40 1.34 0.00 0.00 0.00 176.54 177.94 1ujt n ASP 16 N -4.33 -0.70 -4.69 0.19 -0.08 -0.01 -4.39 116.55 102.53 1ujt n ASP 16 Ca -0.12 1.29 -0.36 0.00 -1.51 0.00 0.00 54.79 54.09 1ujt n ASP 16 Cb 0.65 -0.20 0.08 0.00 2.34 0.00 0.00 41.12 44.00 1ujt n ASP 16 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ujt n VAL 17 N -4.95 4.07 -4.63 5.18 3.14 -1.10 -5.01 118.33 115.03 1ujt n VAL 17 Ca 0.03 -0.44 -0.33 0.00 -2.96 0.00 0.00 64.34 60.64 1ujt n VAL 17 Cb 0.21 -1.35 -0.15 0.00 -1.06 0.00 0.00 33.84 31.50 1ujt n VAL 17 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1ujt s LEU 18 N -4.08 2.66 -0.21 6.55 0.20 -1.26 -4.88 118.68 117.66 1ujt s LEU 18 Ca 0.79 -0.38 -0.08 0.00 0.69 0.00 0.00 54.13 55.16 1ujt s LEU 18 Cb -0.37 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1ujt s LEU 18 CO 0.44 0.13 0.08 -0.69 -0.29 0.00 0.00 176.35 176.01 1ujt s VAL 19 N 0.58 4.69 -0.35 1.68 1.01 -1.26 -3.08 120.40 123.68 1ujt s VAL 19 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 1ujt s VAL 19 Cb -0.16 -3.15 0.07 0.00 0.00 0.00 0.00 36.38 33.14 1ujt s VAL 19 CO 0.03 0.41 0.10 -0.13 0.00 0.00 0.00 175.10 175.51 1ujt s ARG 20 N 0.86 2.33 -0.28 2.72 1.81 0.32 -4.24 118.95 122.47 1ujt s ARG 20 Ca 0.04 -1.44 -0.26 0.00 -1.72 0.00 0.00 55.73 52.35 1ujt s ARG 20 Cb -0.14 -3.39 0.01 0.00 -0.45 0.00 0.00 34.95 30.98 1ujt s ARG 20 CO 0.02 -0.79 0.92 -1.17 -0.68 0.00 0.00 175.30 173.60 1ujt s LEU 21 N 1.25 4.05 0.36 2.53 2.96 -1.26 -0.57 118.68 128.00 1ujt s LEU 21 Ca 0.00 0.97 -0.27 0.00 -0.22 0.00 0.00 54.13 54.62 1ujt s LEU 21 Cb -0.21 -3.31 -0.09 0.00 0.50 0.00 0.00 46.19 43.09 1ujt s LEU 21 CO -0.01 -0.68 1.16 -1.00 -1.32 0.00 0.00 176.35 174.50 1ujt s HIS 22 N 3.17 3.21 0.06 5.38 3.76 0.21 -4.87 115.29 126.20 1ujt s HIS 22 Ca 0.38 1.58 -0.32 0.00 -0.15 0.00 0.00 55.06 56.55 1ujt s HIS 22 Cb -0.14 -3.38 -0.17 0.00 1.11 0.00 0.00 32.58 30.00 1ujt s HIS 22 CO 0.11 -1.14 0.78 0.09 -0.85 0.00 0.00 174.74 173.74 1ujt n ASN 23 N 0.42 -0.41 -4.56 1.40 3.02 -1.26 -4.33 115.26 109.53 1ujt n ASN 23 Ca 0.03 1.03 -0.30 0.00 -0.03 0.00 0.00 54.58 55.31 1ujt n ASN 23 Cb 0.46 -0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 1ujt n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ujt s PRO 24 N -0.32 2.58 -0.34 3.52 0.04 -1.26 -4.80 135.00 134.41 1ujt s PRO 24 Ca 0.73 -0.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 1ujt s PRO 24 Cb -1.03 -4.89 -0.06 0.00 0.04 0.00 0.00 34.50 28.56 1ujt s PRO 24 CO 0.51 -3.21 2.31 0.28 0.04 0.00 0.00 177.00 176.93 1ujt n VAL 25 N 7.70 0.15 -2.05 -0.36 0.31 -1.22 -4.78 118.33 118.09 1ujt n VAL 25 Ca 0.35 -0.60 -0.27 0.00 -0.01 0.00 0.00 64.34 63.81 1ujt n VAL 25 Cb 0.48 -2.63 -0.05 0.00 -0.91 0.00 0.00 33.84 30.73 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 9.99 3.46 0.06 2.52 0.11 -1.26 -2.30 120.40 132.97 1ujt s VAL 26 Ca 1.00 -0.42 -0.21 0.00 -2.93 0.00 0.00 61.98 59.43 1ujt s VAL 26 Cb -0.29 -4.06 -0.12 0.00 -1.53 0.00 0.00 36.38 30.38 1ujt s VAL 26 CO 0.32 -0.95 1.46 -0.07 -3.33 0.00 0.00 175.10 172.53 1ujt h LEU 27 N 17.88 0.31 -8.20 2.54 3.38 -1.89 -3.46 115.31 125.87 1ujt h LEU 27 Ca 0.11 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1ujt h LEU 27 Cb 1.00 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 1ujt h LEU 27 CO 1.21 0.59 -0.63 0.42 0.09 0.00 0.00 178.44 180.12 1ujt s THR 28 N -4.81 0.19 -1.28 0.22 -4.23 -0.35 -4.90 115.64 100.48 1ujt s THR 28 Ca -0.14 -1.72 0.15 0.00 -1.18 0.00 0.00 61.69 58.79 1ujt s THR 28 Cb 0.06 -1.55 0.21 0.00 1.34 0.00 0.00 72.50 72.55 1ujt s THR 28 CO 0.73 -0.88 1.42 -0.81 -0.54 0.00 0.00 174.62 174.54 1ujt n PRO 29 N 0.06 0.14 0.00 3.99 -0.04 -1.26 -2.20 135.00 135.69 1ujt n PRO 29 Ca -0.13 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ujt n PRO 29 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.36 0.00 -3.67 0.52 -2.24 -1.26 -3.83 114.28 102.44 1ujt n THR 30 Ca 0.06 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 1ujt n THR 30 Cb 0.13 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 1ujt n THR 30 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ujt s THR 31 N -0.39 0.02 -0.01 4.28 2.01 -0.93 -2.25 115.64 118.38 1ujt s THR 31 Ca 0.01 -0.20 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 1ujt s THR 31 Cb 0.01 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1ujt s THR 31 CO 0.01 -0.11 0.02 -0.69 -0.69 0.00 0.00 174.62 173.16 1ujt s VAL 32 N -0.87 -0.01 0.46 3.82 1.01 -0.87 -1.21 120.40 122.73 1ujt s VAL 32 Ca -0.09 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 1ujt s VAL 32 Cb -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 36.38 36.22 1ujt s VAL 32 CO 0.05 0.02 0.90 -1.58 0.00 0.00 0.00 175.10 174.49 1ujt s GLN 33 N 0.22 3.94 -0.02 2.72 0.74 -0.97 -1.64 119.66 124.64 1ujt s GLN 33 Ca -0.02 0.82 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1ujt s GLN 33 Cb -0.03 -2.24 0.03 0.00 1.10 0.00 0.00 33.01 31.87 1ujt s GLN 33 CO -0.01 -0.14 0.02 0.08 -0.55 0.00 0.00 175.29 174.70 1ujt s VAL 34 N -2.44 -0.01 0.01 1.34 1.01 0.21 -3.42 120.40 117.10 1ujt s VAL 34 Ca 0.57 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1ujt s VAL 34 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1ujt s VAL 34 CO 0.28 0.10 -0.03 -0.89 0.00 0.00 0.00 175.10 174.56 1ujt s THR 35 N 1.09 0.13 0.07 3.92 2.01 -1.26 -0.35 115.64 121.25 1ujt s THR 35 Ca -0.09 -0.63 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 1ujt s THR 35 Cb -0.13 -0.22 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1ujt s THR 35 CO -0.03 -0.32 0.29 -1.66 -0.69 0.00 0.00 174.62 172.21 1ujt s TRP 36 N -0.97 -0.05 0.27 4.92 -2.14 -1.00 0.63 118.94 120.61 1ujt s TRP 36 Ca -0.10 -0.19 0.08 0.00 2.66 0.00 0.00 56.10 58.55 1ujt s TRP 36 Cb -0.07 0.08 -0.06 0.00 -3.10 0.00 0.00 33.47 30.33 1ujt s TRP 36 CO -0.01 -0.54 -0.10 -0.08 -2.66 0.00 0.00 176.95 173.57 1ujt s THR 37 N -3.07 1.83 -0.07 0.66 -1.32 0.26 -4.82 115.64 109.12 1ujt s THR 37 Ca -0.01 -2.18 -0.03 0.00 -1.21 0.00 0.00 61.69 58.25 1ujt s THR 37 Cb 0.01 -2.38 0.04 0.00 -1.51 0.00 0.00 72.50 68.66 1ujt s THR 37 CO -0.07 -0.36 0.16 0.68 -2.21 0.00 0.00 174.62 172.82 1ujt s VAL 38 N -2.90 -0.05 0.13 5.08 -7.23 -1.26 -0.52 120.40 113.65 1ujt s VAL 38 Ca 0.29 0.18 -0.18 0.00 -1.81 0.00 0.00 61.98 60.45 1ujt s VAL 38 Cb 0.02 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1ujt s VAL 38 CO 0.12 0.07 1.77 -0.78 -0.31 0.00 0.00 175.10 175.97 1ujt h ASP 39 N 7.23 0.32 -2.46 4.85 3.58 -1.94 -3.34 116.42 124.66 1ujt h ASP 39 Ca -0.43 -0.03 -0.60 0.00 0.42 0.00 0.00 57.03 56.39 1ujt h ASP 39 Cb 1.14 -0.08 -0.40 0.00 1.72 0.00 0.00 39.33 41.71 1ujt h ASP 39 CO 0.42 0.26 -0.78 0.54 -2.88 0.00 0.00 179.24 176.80 1ujt n ARG 40 N -4.88 1.43 -1.61 0.28 1.74 -1.26 -5.06 116.66 107.30 1ujt n ARG 40 Ca -0.02 -3.99 -0.57 0.00 -0.77 0.00 0.00 57.85 52.50 1ujt n ARG 40 Cb 0.04 -1.93 -0.07 0.00 -1.02 0.00 0.00 32.46 29.48 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 0.72 -2.26 5.56 7.27 -1.26 -4.82 117.38 124.34 1ujt n GLN 41 Ca 0.25 0.26 -0.37 0.00 0.07 0.00 0.00 57.00 57.21 1ujt n GLN 41 Cb 0.43 -1.86 -0.01 0.00 2.41 0.00 0.00 30.24 31.21 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 1.20 3.85 -0.15 3.69 0.04 -1.26 -4.98 135.00 137.39 1ujt s PRO 42 Ca 0.91 1.81 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 1ujt s PRO 42 Cb -1.12 -2.50 -0.23 0.00 0.04 0.00 0.00 34.50 30.69 1ujt s PRO 42 CO 0.57 -0.48 0.23 1.04 0.04 0.00 0.00 177.00 178.39 1ujt n GLN 43 N -0.30 0.71 -0.10 4.56 6.02 -1.26 -4.34 117.38 122.67 1ujt n GLN 43 Ca 0.06 0.22 -0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1ujt n GLN 43 Cb 0.47 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 1ujt n GLN 43 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1ujt h PHE 44 N 0.04 1.11 -0.58 1.08 -0.00 -1.99 -3.46 116.94 113.15 1ujt h PHE 44 Ca -0.46 -0.36 -0.40 0.00 -0.00 0.00 0.00 57.97 56.75 1ujt h PHE 44 Cb 2.01 -0.22 0.05 0.00 -0.00 0.00 0.00 35.95 37.79 1ujt h PHE 44 CO 0.05 1.19 -0.21 1.51 -0.00 0.00 0.00 178.31 180.85 1ujt n ILE 45 N -4.05 0.84 0.05 0.88 3.06 -1.26 -4.85 119.36 114.04 1ujt n ILE 45 Ca -0.03 -0.21 0.06 0.00 -2.50 0.00 0.00 62.75 60.06 1ujt n ILE 45 Cb 0.58 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.70 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 0.65 0.62 0.00 9.51 1.13 -0.98 -4.81 117.38 123.50 1ujt n GLN 46 Ca 0.11 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1ujt n GLN 46 Cb 0.12 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.69 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 1.30 -0.93 3.15 1.08 0.00 -1.18 -3.42 105.19 105.19 1ujt n GLY 47 Ca -0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.00 -0.55 -0.27 1.61 2.02 -1.26 -3.86 117.35 111.04 1ujt s TYR 48 Ca 0.00 1.16 -0.17 0.00 -0.37 0.00 0.00 57.07 57.70 1ujt s TYR 48 Cb 0.00 0.14 -0.03 0.00 -0.40 0.00 0.00 41.96 41.67 1ujt s TYR 48 CO 0.00 -0.36 0.45 0.50 -1.57 0.00 0.00 175.55 174.57 1ujt s ARG 49 N 2.00 4.03 -0.42 -0.62 3.52 -0.28 -2.08 118.95 125.10 1ujt s ARG 49 Ca -0.04 0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 55.64 1ujt s ARG 49 Cb -0.11 -3.66 0.07 0.00 -1.56 0.00 0.00 34.95 29.70 1ujt s ARG 49 CO -0.11 -0.33 0.26 0.08 -0.81 0.00 0.00 175.30 174.39 1ujt s VAL 50 N 2.21 4.31 -0.03 7.11 1.01 -0.92 -1.93 120.40 132.16 1ujt s VAL 50 Ca 0.18 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 1ujt s VAL 50 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1ujt s VAL 50 CO 0.10 -0.49 0.55 -0.04 0.00 0.00 0.00 175.10 175.21 1ujt s MET 51 N 1.45 4.28 0.03 2.72 -1.94 -1.19 -1.02 119.30 123.62 1ujt s MET 51 Ca 0.03 0.63 -0.08 0.00 -1.71 0.00 0.00 55.69 54.56 1ujt s MET 51 Cb -0.23 -3.35 -0.00 0.00 2.01 0.00 0.00 34.83 33.26 1ujt s MET 51 CO 0.03 0.35 0.16 1.52 -0.01 0.00 0.00 175.02 177.07 1ujt s TYR 52 N -0.09 0.10 -0.06 -0.03 1.13 -1.06 -2.45 117.35 114.89 1ujt s TYR 52 Ca 0.29 -0.33 -0.31 0.00 -1.41 0.00 0.00 57.07 55.31 1ujt s TYR 52 Cb -0.17 -0.07 0.11 0.00 -1.10 0.00 0.00 41.96 40.73 1ujt s TYR 52 CO 0.15 -0.39 1.09 -0.98 -2.51 0.00 0.00 175.55 172.91 1ujt s ARG 53 N -2.44 0.60 0.44 -3.49 1.70 -1.09 -1.32 118.95 113.36 1ujt s ARG 53 Ca -0.06 -0.26 -0.23 0.00 -0.47 0.00 0.00 55.73 54.71 1ujt s ARG 53 Cb -0.02 0.25 -0.08 0.00 -0.57 0.00 0.00 34.95 34.53 1ujt s ARG 53 CO -0.03 -0.27 1.08 -1.14 -1.08 0.00 0.00 175.30 173.85 1ujt s GLN 54 N -2.76 3.94 -0.07 3.89 0.74 -1.26 -2.37 119.66 121.77 1ujt s GLN 54 Ca 0.09 1.53 0.10 0.00 0.05 0.00 0.00 55.36 57.14 1ujt s GLN 54 Cb -0.00 -2.37 -0.15 0.00 1.10 0.00 0.00 33.01 31.59 1ujt s GLN 54 CO -0.05 -0.34 0.11 0.25 -0.55 0.00 0.00 175.29 174.71 1ujt n THR 55 N -0.46 0.48 -4.21 -0.34 -2.24 -1.17 -1.20 114.28 105.14 1ujt n THR 55 Ca 0.07 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 1ujt n THR 55 Cb 0.50 -0.38 -0.10 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.98 1.52 0.00 3.42 0.15 -1.26 -4.64 113.70 108.92 1ujt s SER 56 Ca -0.05 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.63 1ujt s SER 56 Cb 0.05 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1ujt s SER 56 CO 0.46 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1ujt n GLY 57 N -0.00 0.73 0.14 9.45 0.00 -1.26 -4.30 105.19 109.95 1ujt n GLY 57 Ca -0.12 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 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 2.64 -0.90 0.99 -0.00 -1.26 -4.35 117.00 114.12 1ujt n LEU 58 Ca 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 56.01 56.03 1ujt n LEU 58 Cb 0.00 -0.86 0.09 0.00 -0.00 0.00 0.00 43.42 42.64 1ujt n LEU 58 CO 0.00 0.81 0.44 0.00 -0.00 0.00 0.00 177.39 178.64 1ujt n GLN 59 N -3.56 1.82 -2.39 1.96 6.02 -1.26 -4.80 117.38 115.17 1ujt n GLN 59 Ca -0.48 -0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 55.36 1ujt n GLN 59 Cb 0.95 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 30.56 1ujt n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ujt s ALA 60 N -1.31 3.42 -0.47 -1.58 0.00 -1.26 -3.30 121.76 117.26 1ujt s ALA 60 Ca 0.13 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.95 1ujt s ALA 60 Cb 0.10 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1ujt s ALA 60 CO 0.04 -0.42 0.13 -2.37 0.00 0.00 0.00 175.76 173.14 1ujt n THR 61 N 3.35 -0.09 -0.02 0.00 5.66 -0.34 -4.74 114.28 118.10 1ujt n THR 61 Ca 0.07 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.97 1ujt n THR 61 Cb 0.45 -0.30 -0.14 0.00 -1.55 0.00 0.00 70.33 68.80 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 -1.73 1.02 -3.37 1.09 2.88 -1.21 -4.94 113.62 107.37 1ujt n SER 62 Ca 0.01 0.38 0.02 0.00 -1.33 0.00 0.00 58.87 57.95 1ujt n SER 62 Cb 0.50 -0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 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 -6.20 -0.45 0.62 -3.46 0.01 -1.26 -5.15 113.70 97.80 1ujt s SER 63 Ca -0.07 0.63 -0.14 0.00 1.31 0.00 0.00 55.95 57.68 1ujt s SER 63 Cb 0.08 1.50 -0.03 0.00 0.21 0.00 0.00 66.02 67.78 1ujt s SER 63 CO 0.82 -0.09 1.05 0.26 0.41 0.00 0.00 173.24 175.69 1ujt s TRP 64 N 2.29 3.12 0.32 2.43 0.52 -1.26 -4.79 118.94 121.57 1ujt s TRP 64 Ca -0.02 1.47 0.09 0.00 0.02 0.00 0.00 56.10 57.65 1ujt s TRP 64 Cb -0.05 -2.93 -0.06 0.00 -1.15 0.00 0.00 33.47 29.29 1ujt s TRP 64 CO -0.17 -1.04 -0.08 -0.65 0.02 0.00 0.00 176.95 175.02 1ujt s GLN 65 N -4.44 1.72 -0.03 4.98 -0.21 -0.43 -4.99 119.66 116.26 1ujt s GLN 65 Ca 0.61 -1.88 0.01 0.00 0.02 0.00 0.00 55.36 54.12 1ujt s GLN 65 Cb -0.14 -1.50 0.02 0.00 1.00 0.00 0.00 33.01 32.39 1ujt s GLN 65 CO 0.43 0.11 -0.01 -0.80 -2.12 0.00 0.00 175.29 172.90 1ujt s ASN 66 N -3.54 0.46 -0.44 5.90 0.01 -1.26 -2.58 114.94 113.49 1ujt s ASN 66 Ca 0.31 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.45 1ujt s ASN 66 Cb 0.03 -0.22 0.12 0.00 0.41 0.00 0.00 41.25 41.58 1ujt s ASN 66 CO 0.15 -0.08 0.18 -0.22 -1.51 0.00 0.00 177.10 175.63 1ujt s LEU 67 N 0.86 3.94 -0.37 0.60 2.96 -0.19 -4.95 118.68 121.53 1ujt s LEU 67 Ca -0.09 -2.59 -0.29 0.00 -0.22 0.00 0.00 54.13 50.94 1ujt s LEU 67 Cb -0.12 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.12 1ujt s LEU 67 CO -0.01 -0.29 1.46 -0.62 -1.32 0.00 0.00 176.35 175.57 1ujt s ASP 68 N 0.32 6.33 0.59 3.68 2.15 -1.26 -2.17 116.67 126.31 1ujt s ASP 68 Ca 0.15 1.02 0.33 0.00 0.43 0.00 0.00 52.55 54.48 1ujt s ASP 68 Cb -0.23 -2.54 1.86 0.00 -0.30 0.00 0.00 42.92 41.71 1ujt s ASP 68 CO -0.04 -1.40 2.22 0.00 -0.17 0.00 0.00 175.17 175.78 1ujt h ALA 69 N 10.78 1.29 -5.13 3.66 0.00 -1.83 -3.46 119.26 124.57 1ujt h ALA 69 Ca -0.29 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.21 1ujt h ALA 69 Cb 1.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ujt h ALA 69 CO 1.06 0.04 -0.57 1.63 0.00 0.00 0.00 179.25 181.42 1ujt n LYS 70 N -3.54 -3.85 -3.21 0.00 5.02 -1.26 -4.93 118.16 106.39 1ujt n LYS 70 Ca -0.02 0.61 0.02 0.00 -2.02 0.00 0.00 58.31 56.90 1ujt n LYS 70 Cb 0.14 -5.36 -0.02 0.00 -0.02 0.00 0.00 35.03 29.76 1ujt n LYS 70 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ujt s VAL 71 N -3.00 -0.96 0.23 -0.18 1.01 -1.26 -5.00 120.40 111.24 1ujt s VAL 71 Ca 0.36 -0.00 0.23 0.00 0.00 0.00 0.00 61.98 62.57 1ujt s VAL 71 Cb -0.18 -0.98 0.21 0.00 0.00 0.00 0.00 36.38 35.43 1ujt s VAL 71 CO 0.45 -0.01 1.86 1.55 0.00 0.00 0.00 175.10 178.95 1ujt h PRO 72 N 8.02 0.00 0.00 2.72 0.13 -1.87 -2.62 132.00 138.38 1ujt h PRO 72 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1ujt h PRO 72 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ujt h PRO 72 CO 0.25 0.25 -0.12 0.25 -0.23 0.00 0.00 178.00 178.40 1ujt n THR 73 N -3.53 0.53 -3.07 1.56 -2.24 -1.26 -4.78 114.28 101.49 1ujt n THR 73 Ca -0.01 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.10 1ujt n THR 73 Cb 0.40 -0.49 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 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 -3.11 4.32 -0.17 -0.78 0.41 -0.99 -4.94 118.70 113.45 1ujt s GLU 74 Ca 0.10 0.77 0.17 0.00 -0.41 0.00 0.00 54.97 55.60 1ujt s GLU 74 Cb 0.13 -3.51 0.42 0.00 -1.78 0.00 0.00 34.13 29.38 1ujt s GLU 74 CO 0.62 -0.10 1.30 0.54 -0.49 0.00 0.00 175.26 177.12 1ujt n ARG 75 N 4.48 2.04 -3.86 1.61 1.74 -1.26 -4.87 116.66 116.53 1ujt n ARG 75 Ca -0.01 -2.79 -0.10 0.00 -0.77 0.00 0.00 57.85 54.19 1ujt n ARG 75 Cb 0.50 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ujt s SER 76 N -2.47 -0.07 0.09 0.55 1.04 -1.26 -2.39 113.70 109.19 1ujt s SER 76 Ca 0.38 -0.70 -0.24 0.00 0.48 0.00 0.00 55.95 55.87 1ujt s SER 76 Cb 0.32 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.99 1ujt s SER 76 CO 0.05 -0.94 0.59 0.00 0.98 0.00 0.00 173.24 173.91 1ujt s ALA 77 N -3.92 -1.54 -0.21 5.32 0.00 0.53 -4.99 121.76 116.95 1ujt s ALA 77 Ca 0.13 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.76 1ujt s ALA 77 Cb 0.02 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.76 1ujt s ALA 77 CO -0.02 -0.62 -0.08 0.08 0.00 0.00 0.00 175.76 175.13 1ujt s VAL 78 N -2.91 1.53 -0.38 0.00 1.01 -1.26 0.65 120.40 119.05 1ujt s VAL 78 Ca -0.03 -1.06 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 1ujt s VAL 78 Cb -0.01 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1ujt s VAL 78 CO -0.05 0.05 0.93 -0.76 0.00 0.00 0.00 175.10 175.27 1ujt s LEU 79 N 1.42 3.99 0.59 3.92 1.43 -0.65 -4.92 118.68 124.45 1ujt s LEU 79 Ca -0.03 0.55 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 1ujt s LEU 79 Cb -0.17 -3.27 0.09 0.00 0.03 0.00 0.00 46.19 42.86 1ujt s LEU 79 CO -0.07 -0.88 0.73 0.68 0.23 0.00 0.00 176.35 177.04 1ujt s VAL 80 N 3.53 1.92 -1.19 -1.59 -7.23 -1.26 -2.04 120.40 112.52 1ujt s VAL 80 Ca 0.38 -1.11 -0.03 0.00 -1.81 0.00 0.00 61.98 59.41 1ujt s VAL 80 Cb -0.12 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1ujt s VAL 80 CO 0.20 0.00 0.88 0.59 -0.31 0.00 0.00 175.10 176.45 1ujt n ASN 81 N -2.19 -3.02 -4.65 4.85 3.02 -1.07 -4.95 115.26 107.26 1ujt n ASN 81 Ca 0.12 -0.73 -0.28 0.00 -0.03 0.00 0.00 54.58 53.66 1ujt n ASN 81 Cb 0.62 -4.69 -0.08 0.00 -0.61 0.00 0.00 39.78 35.02 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ujt s LEU 82 N -6.25 3.27 0.97 3.41 1.43 -0.95 -5.06 118.68 115.51 1ujt s LEU 82 Ca 0.14 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1ujt s LEU 82 Cb -0.03 -1.98 0.18 0.00 0.03 0.00 0.00 46.19 44.39 1ujt s LEU 82 CO 0.77 0.13 1.15 -0.54 0.23 0.00 0.00 176.35 178.09 1ujt s LYS 83 N -2.61 0.61 -0.12 1.70 1.02 -1.26 -4.32 119.74 114.76 1ujt s LYS 83 Ca 0.25 0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.44 1ujt s LYS 83 Cb -0.10 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.41 1ujt s LYS 83 CO 0.17 -2.53 -0.16 0.15 -0.92 0.00 0.00 175.35 172.06 1ujt s LYS 84 N -5.32 3.29 0.00 1.68 3.01 -1.25 -4.54 119.74 116.60 1ujt s LYS 84 Ca 0.66 -0.74 0.00 0.00 -1.01 0.00 0.00 55.97 54.88 1ujt s LYS 84 Cb -0.13 -2.53 0.00 0.00 -1.01 0.00 0.00 37.83 34.15 1ujt s LYS 84 CO 0.54 0.21 0.00 0.41 0.51 0.00 0.00 175.35 177.02 1ujt n GLY 85 N 3.52 0.61 3.55 -3.33 0.00 0.13 -4.94 105.19 104.72 1ujt n GLY 85 Ca -0.18 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.69 0.00 0.23 1.61 0.11 -1.19 -4.98 120.40 113.50 1ujt s VAL 86 Ca 0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 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 0.58 -0.89 -3.33 0.00 0.00 175.10 171.46 1ujt s THR 87 N -1.72 4.88 -0.03 5.04 2.01 -1.26 -1.54 115.64 123.02 1ujt s THR 87 Ca -0.01 0.61 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1ujt s THR 87 Cb -0.01 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.88 1ujt s THR 87 CO -0.01 -0.03 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.54 1ujt s TYR 88 N -1.78 0.65 -0.20 4.92 2.02 -0.55 -3.06 117.35 119.35 1ujt s TYR 88 Ca 0.47 -0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.91 1ujt s TYR 88 Cb -0.12 -0.56 -0.05 0.00 -0.40 0.00 0.00 41.96 40.83 1ujt s TYR 88 CO 0.20 -0.14 0.13 -2.00 -1.57 0.00 0.00 175.55 172.17 1ujt s GLU 89 N 0.68 4.17 0.01 -0.62 2.12 -1.00 -0.12 118.70 123.95 1ujt s GLU 89 Ca -0.09 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1ujt s GLU 89 Cb -0.12 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1ujt s GLU 89 CO -0.00 0.28 -0.03 0.42 -0.54 0.00 0.00 175.26 175.39 1ujt s ILE 90 N 0.43 0.12 -0.09 -3.70 1.09 -0.77 -2.66 121.20 115.62 1ujt s ILE 90 Ca 0.08 -0.63 -0.05 0.00 -1.10 0.00 0.00 60.65 58.96 1ujt s ILE 90 Cb -0.11 -0.21 0.04 0.00 -1.06 0.00 0.00 42.46 41.11 1ujt s ILE 90 CO -0.01 -0.32 0.20 -1.59 -0.10 0.00 0.00 174.94 173.12 1ujt s LYS 91 N -0.99 0.17 -0.13 2.79 0.00 -1.03 -1.92 119.74 118.64 1ujt s LYS 91 Ca -0.10 0.42 -0.26 0.00 0.00 0.00 0.00 55.97 56.03 1ujt s LYS 91 Cb -0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 37.83 37.65 1ujt s LYS 91 CO -0.01 -0.14 0.85 0.08 0.00 0.00 0.00 175.35 176.13 1ujt s VAL 92 N 1.01 4.90 -0.07 1.79 1.01 -1.26 -3.19 120.40 124.59 1ujt s VAL 92 Ca -0.07 1.70 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 1ujt s VAL 92 Cb -0.09 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.16 1ujt s VAL 92 CO -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 175.10 175.11 1ujt s ARG 93 N 1.77 0.61 0.64 2.72 1.70 -0.81 -2.30 118.95 123.29 1ujt s ARG 93 Ca 0.41 0.08 -0.16 0.00 -0.47 0.00 0.00 55.73 55.59 1ujt s ARG 93 Cb -0.17 -0.92 -0.01 0.00 -0.57 0.00 0.00 34.95 33.28 1ujt s ARG 93 CO 0.16 -0.26 1.11 -1.25 -1.08 0.00 0.00 175.30 173.97 1ujt s PRO 94 N 1.78 2.88 -0.15 3.89 0.04 -1.26 -1.12 135.00 141.06 1ujt s PRO 94 Ca 0.02 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.22 1ujt s PRO 94 Cb -0.13 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1ujt s PRO 94 CO -0.04 -1.19 0.64 1.52 0.04 0.00 0.00 177.00 177.96 1ujt s TYR 95 N -2.26 -0.66 0.00 0.56 -0.85 -1.25 0.16 117.35 113.05 1ujt s TYR 95 Ca 0.68 1.39 0.00 0.00 -0.52 0.00 0.00 57.07 58.61 1ujt s TYR 95 Cb -0.21 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.43 1ujt s TYR 95 CO 0.40 -0.46 0.00 0.34 -1.52 0.00 0.00 175.55 174.30 1ujt n PHE 96 N 1.85 0.00 -0.06 -3.49 7.35 -1.26 -2.33 117.46 119.53 1ujt n PHE 96 Ca -0.17 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.46 1ujt n PHE 96 Cb 0.56 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.37 1ujt n PHE 96 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ujt n ASN 97 N -1.92 1.47 0.00 -2.13 5.03 -1.26 -4.26 115.26 112.18 1ujt n ASN 97 Ca 0.00 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.70 1ujt n ASN 97 Cb 0.00 -0.64 0.00 0.00 -1.02 0.00 0.00 39.78 38.12 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 -3.97 0.00 -0.45 3.52 0.28 -1.26 -5.10 120.64 113.66 1ujt n GLU 98 Ca -0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.70 1ujt n GLU 98 Cb 0.37 -0.25 0.18 0.00 1.43 0.00 0.00 31.44 33.17 1ujt n GLU 98 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1ujt n PHE 99 N -2.53 -2.72 -3.62 -1.84 -1.74 -1.26 -5.04 117.46 98.71 1ujt n PHE 99 Ca 0.00 -0.21 -0.09 0.00 -0.56 0.00 0.00 57.45 56.59 1ujt n PHE 99 Cb 0.16 -1.37 -0.10 0.00 1.52 0.00 0.00 39.48 39.69 1ujt n PHE 99 CO 0.00 0.00 0.00 1.14 -0.56 0.00 0.00 176.76 177.34 1ujt s GLN 100 N -3.87 0.31 0.00 3.97 -2.07 -1.26 -4.13 119.66 112.60 1ujt s GLN 100 Ca 0.43 0.96 0.00 0.00 -1.82 0.00 0.00 55.36 54.93 1ujt s GLN 100 Cb -0.08 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 1ujt s GLN 100 CO 0.38 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 1ujt n GLY 101 N 5.39 -2.61 3.76 2.60 0.00 0.12 -4.90 105.19 109.56 1ujt n GLY 101 Ca -0.08 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.89 3.36 -0.13 1.61 1.00 -1.26 -4.65 119.30 117.35 1ujt s MET 102 Ca 0.00 1.85 -0.14 0.00 0.00 0.00 0.00 55.69 57.40 1ujt s MET 102 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 34.83 32.60 1ujt s MET 102 CO 0.00 -0.90 0.30 0.16 0.00 0.00 0.00 175.02 174.59 1ujt s ASP 103 N -1.42 6.49 1.32 3.03 -4.77 -1.26 -4.37 116.67 115.68 1ujt s ASP 103 Ca 0.70 0.57 -0.21 0.00 -3.30 0.00 0.00 52.55 50.32 1ujt s ASP 103 Cb -0.30 -2.19 0.33 0.00 -1.09 0.00 0.00 42.92 39.67 1ujt s ASP 103 CO 0.35 0.15 1.02 -0.94 0.70 0.00 0.00 175.17 176.45 1ujt s SER 104 N 0.15 -0.11 -0.11 2.11 1.04 -0.97 -4.87 113.70 110.94 1ujt s SER 104 Ca 0.18 0.74 -0.29 0.00 0.48 0.00 0.00 55.95 57.06 1ujt s SER 104 Cb -0.13 -1.04 -0.06 0.00 0.10 0.00 0.00 66.02 64.89 1ujt s SER 104 CO 0.05 -4.77 1.89 -1.83 0.98 0.00 0.00 173.24 169.57 1ujt s GLU 105 N -5.24 3.81 -0.17 4.02 -1.05 -1.26 -4.74 118.70 114.06 1ujt s GLU 105 Ca 0.70 2.16 -0.30 0.00 -0.15 0.00 0.00 54.97 57.39 1ujt s GLU 105 Cb -0.11 -4.16 -0.07 0.00 -0.44 0.00 0.00 34.13 29.35 1ujt s GLU 105 CO 0.57 -1.31 2.15 0.43 0.95 0.00 0.00 175.26 178.05 1ujt n SER 106 N 8.74 3.35 -4.87 0.83 7.64 -1.26 -4.75 113.62 123.30 1ujt n SER 106 Ca 0.22 0.42 -0.36 0.00 1.01 0.00 0.00 58.87 60.16 1ujt n SER 106 Cb 0.43 -1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 1ujt n SER 106 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ujt s LYS 107 N 5.80 3.38 -0.13 1.43 -0.14 -0.81 -4.90 119.74 124.37 1ujt s LYS 107 Ca 0.99 -0.23 -0.06 0.00 -1.36 0.00 0.00 55.97 55.31 1ujt s LYS 107 Cb -0.44 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 1ujt s LYS 107 CO 0.39 0.74 0.11 0.95 -0.76 0.00 0.00 175.35 176.78 1ujt s THR 108 N -1.11 5.24 -0.25 2.17 -4.23 -1.26 -1.85 115.64 114.35 1ujt s THR 108 Ca 0.19 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1ujt s THR 108 Cb -0.12 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.49 1ujt s THR 108 CO 0.09 0.59 -0.12 0.54 -0.54 0.00 0.00 174.62 175.18 1ujt s VAL 109 N -0.77 2.20 -0.34 2.29 0.11 0.83 -4.69 120.40 120.03 1ujt s VAL 109 Ca 0.13 -1.54 -0.24 0.00 -2.93 0.00 0.00 61.98 57.40 1ujt s VAL 109 Cb -0.12 -2.25 0.01 0.00 -1.53 0.00 0.00 36.38 32.49 1ujt s VAL 109 CO 0.03 0.04 0.84 -0.60 -3.33 0.00 0.00 175.10 172.08 1ujt s ARG 110 N 1.13 3.88 -0.59 1.54 3.52 -1.26 -1.48 118.95 125.69 1ujt s ARG 110 Ca -0.07 0.55 -0.24 0.00 -0.13 0.00 0.00 55.73 55.84 1ujt s ARG 110 Cb -0.19 -3.77 0.05 0.00 -1.56 0.00 0.00 34.95 29.48 1ujt s ARG 110 CO -0.06 -0.81 0.98 0.95 -0.81 0.00 0.00 175.30 175.55 1ujt s THR 111 N 3.18 4.31 1.11 4.11 -4.23 -0.59 -4.88 115.64 118.65 1ujt s THR 111 Ca 0.35 0.16 -0.17 0.00 -1.18 0.00 0.00 61.69 60.85 1ujt s THR 111 Cb -0.13 -4.61 0.19 0.00 1.34 0.00 0.00 72.50 69.29 1ujt s THR 111 CO 0.15 -1.26 0.33 1.07 -0.54 0.00 0.00 174.62 174.37 1ujt n THR 112 N 6.16 0.00 0.01 3.99 5.66 -1.26 0.19 114.28 129.03 1ujt n THR 112 Ca 0.01 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1ujt n THR 112 Cb 0.47 -0.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 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 -2.54 0.00 -2.21 1.09 4.71 -1.26 -2.97 120.64 117.46 1ujt n GLU 113 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.03 1ujt n GLU 113 Cb 0.47 -0.38 0.03 0.00 -1.01 0.00 0.00 31.44 30.54 1ujt n GLU 113 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1ujt n GLU 114 N -2.98 3.09 -4.06 3.49 2.13 -1.26 -5.01 120.64 116.05 1ujt n GLU 114 Ca 0.00 -3.98 -0.13 0.00 0.66 0.00 0.00 57.16 53.71 1ujt n GLU 114 Cb 0.33 -2.09 -0.04 0.00 0.27 0.00 0.00 31.44 29.91 1ujt n GLU 114 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ujt s SER 115 N -3.64 0.62 0.00 4.31 0.15 -1.26 -5.16 113.70 108.73 1ujt s SER 115 Ca 0.45 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1ujt s SER 115 Cb 0.39 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1ujt s SER 115 CO 0.02 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.79 1ujt n GLY 116 N -0.51 3.56 3.77 9.45 0.00 -1.26 -4.87 105.19 115.31 1ujt n GLY 116 Ca -0.00 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.33 4.27 -0.62 1.61 0.04 -1.26 -5.00 135.00 129.71 1ujt s PRO 117 Ca 0.00 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 1ujt s PRO 117 Cb 0.00 -2.92 0.16 0.00 0.04 0.00 0.00 34.50 31.78 1ujt s PRO 117 CO 0.00 -0.18 0.51 -1.12 0.04 0.00 0.00 177.00 176.25 1ujt s SER 118 N -0.84 5.95 0.66 6.66 0.01 -1.26 -5.07 113.70 119.81 1ujt s SER 118 Ca 0.52 -2.36 -0.14 0.00 1.31 0.00 0.00 55.95 55.28 1ujt s SER 118 Cb -0.35 -2.05 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ujt s SER 118 CO 0.45 -0.59 1.07 -0.55 0.41 0.00 0.00 173.24 174.03 1ujt s SER 119 N 2.12 5.34 0.00 2.44 0.15 -1.26 -5.33 113.70 117.16 1ujt s SER 119 Ca 0.12 1.81 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1ujt s SER 119 Cb -0.20 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1ujt s SER 119 CO -0.03 -1.47 0.14 0.61 1.20 0.00 0.00 173.24 173.69