#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 5.87 -0.18 1.61 0.15 -1.26 -4.85 113.70 115.04 1ujt s SER 2 Ca 0.00 0.87 -0.16 0.00 0.70 0.00 0.00 55.95 57.35 1ujt s SER 2 Cb 0.00 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.66 1ujt s SER 2 CO 0.00 -1.80 0.01 -1.20 1.20 0.00 0.00 173.24 171.45 1ujt n SER 3 N 10.45 1.84 -3.15 5.45 7.64 -1.26 -4.97 113.62 129.63 1ujt n SER 3 Ca 0.20 0.50 0.05 0.00 1.01 0.00 0.00 58.87 60.63 1ujt n SER 3 Cb 0.48 -0.92 -0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1ujt n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujt s GLY 4 N -4.64 -0.97 0.82 0.23 0.00 -1.26 -5.16 107.32 96.33 1ujt s GLY 4 Ca -0.24 1.80 -0.11 0.00 0.00 0.00 0.00 44.72 46.18 1ujt s GLY 4 CO 0.43 3.82 1.10 -0.56 0.00 0.00 0.00 173.10 177.89 1ujt s SER 5 N 2.90 4.07 0.00 1.64 0.01 -1.26 -4.99 113.70 116.07 1ujt s SER 5 Ca 0.16 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.27 1ujt s SER 5 Cb -0.08 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1ujt s SER 5 CO -0.22 -2.32 0.00 -0.24 0.41 0.00 0.00 173.24 170.87 1ujt n SER 6 N -3.71 0.08 0.00 2.44 2.88 -1.26 -5.09 113.62 108.96 1ujt n SER 6 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1ujt n SER 6 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 2.04 -1.05 0.59 0.46 0.00 -1.26 -5.07 105.19 100.90 1ujt n GLY 7 Ca 0.00 0.91 -0.05 0.00 0.00 0.00 0.00 46.02 46.88 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 0.26 0.06 1.61 1.74 -1.26 -4.59 116.66 114.48 1ujt n ARG 8 Ca 0.00 0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.24 1ujt n ARG 8 Cb 0.00 -0.95 0.29 0.00 -1.02 0.00 0.00 32.46 30.78 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 -3.94 0.07 -0.01 5.56 7.27 -1.26 -3.52 117.38 121.55 1ujt n GLN 9 Ca -0.08 0.49 -0.00 0.00 0.07 0.00 0.00 57.00 57.48 1ujt n GLN 9 Cb 0.28 -1.68 -0.00 0.00 2.41 0.00 0.00 30.24 31.24 1ujt n GLN 9 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ujt h VAL 10 N 0.00 0.00 -0.14 1.69 2.07 -1.98 0.36 116.25 118.24 1ujt h VAL 10 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1ujt h VAL 10 Cb 0.08 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1ujt h VAL 10 CO 0.00 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.65 1ujt n GLN 11 N -2.85 1.50 -0.00 1.57 6.02 -1.23 -1.96 117.38 120.43 1ujt n GLN 11 Ca -0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.41 1ujt n GLN 11 Cb 0.01 -1.45 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 0.15 1.37 -0.02 -1.09 4.81 0.40 -4.83 118.16 118.95 1ujt n LYS 12 Ca 0.08 -0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.50 1ujt n LYS 12 Cb 0.56 -1.00 -0.02 0.00 0.02 0.00 0.00 35.03 34.59 1ujt n LYS 12 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ujt n GLU 13 N -1.68 0.11 -0.02 1.64 4.07 0.98 -4.39 120.64 121.35 1ujt n GLU 13 Ca -0.00 0.02 -0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1ujt n GLU 13 Cb 0.17 -1.07 -0.00 0.00 -0.06 0.00 0.00 31.44 30.48 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 -2.59 -0.05 -0.10 4.31 7.94 -0.83 -0.65 117.00 125.03 1ujt n LEU 14 Ca -0.06 0.75 -0.14 0.00 -1.11 0.00 0.00 56.01 55.46 1ujt n LEU 14 Cb 0.56 -0.35 -0.03 0.00 0.53 0.00 0.00 43.42 44.13 1ujt n LEU 14 CO 0.03 -0.40 0.54 1.23 -1.11 0.00 0.00 177.39 177.68 1ujt h GLY 15 N 0.00 0.91 -0.05 -3.96 0.00 -1.87 -3.33 103.07 94.76 1ujt h GLY 15 Ca 0.01 -0.96 0.01 0.00 0.00 0.00 0.00 47.33 46.39 1ujt h GLY 15 CO -0.04 0.86 -0.05 -1.80 0.00 0.00 0.00 176.54 175.51 1ujt h ASP 16 N 0.62 -0.17 -2.11 0.19 3.58 -1.31 -3.41 116.42 113.81 1ujt h ASP 16 Ca 0.05 0.02 -0.63 0.00 0.42 0.00 0.00 57.03 56.89 1ujt h ASP 16 Cb 0.96 0.07 0.09 0.00 1.72 0.00 0.00 39.33 42.17 1ujt h ASP 16 CO 0.09 -0.03 0.23 0.55 -2.88 0.00 0.00 179.24 177.20 1ujt n VAL 17 N -3.02 1.24 -3.99 2.25 3.14 0.17 -4.96 118.33 113.17 1ujt n VAL 17 Ca -0.00 -0.31 -0.36 0.00 -2.96 0.00 0.00 64.34 60.70 1ujt n VAL 17 Cb 0.03 -0.90 -0.07 0.00 -1.06 0.00 0.00 33.84 31.84 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 0.63 4.17 -0.20 6.55 0.20 -1.26 -4.88 118.68 123.90 1ujt s LEU 18 Ca 0.68 0.36 -0.05 0.00 0.69 0.00 0.00 54.13 55.82 1ujt s LEU 18 Cb -0.80 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 42.93 1ujt s LEU 18 CO 0.54 0.38 -0.01 -0.69 -0.29 0.00 0.00 176.35 176.28 1ujt s VAL 19 N -0.85 3.89 -0.31 1.68 1.01 -1.26 -3.10 120.40 121.46 1ujt s VAL 19 Ca 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1ujt s VAL 19 Cb -0.12 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1ujt s VAL 19 CO 0.03 0.43 0.09 -0.13 0.00 0.00 0.00 175.10 175.53 1ujt s ARG 20 N 0.97 2.94 -0.12 2.72 0.52 -0.04 -4.56 118.95 121.39 1ujt s ARG 20 Ca 0.01 -0.96 -0.15 0.00 -0.52 0.00 0.00 55.73 54.11 1ujt s ARG 20 Cb -0.14 -3.42 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 1ujt s ARG 20 CO 0.02 -0.52 0.36 -1.17 0.02 0.00 0.00 175.30 174.00 1ujt s LEU 21 N 1.47 4.30 -0.01 2.53 2.96 -1.26 -0.19 118.68 128.48 1ujt s LEU 21 Ca 0.01 0.67 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1ujt s LEU 21 Cb -0.18 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 1ujt s LEU 21 CO 0.03 0.13 0.19 -1.00 -1.32 0.00 0.00 176.35 174.37 1ujt s HIS 22 N 0.16 3.56 -0.36 5.38 3.76 -1.01 -4.90 115.29 121.88 1ujt s HIS 22 Ca 0.20 0.39 -0.43 0.00 -0.15 0.00 0.00 55.06 55.08 1ujt s HIS 22 Cb -0.14 -1.85 -0.19 0.00 1.11 0.00 0.00 32.58 31.51 1ujt s HIS 22 CO 0.07 0.65 1.39 -1.71 -0.85 0.00 0.00 174.74 174.29 1ujt n ASN 23 N 1.01 0.87 -4.56 1.40 5.15 -1.26 -4.46 115.26 113.40 1ujt n ASN 23 Ca -0.11 1.11 -0.27 0.00 -0.60 0.00 0.00 54.58 54.71 1ujt n ASN 23 Cb 0.53 -0.83 -0.05 0.00 -0.53 0.00 0.00 39.78 38.89 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 2.17 2.53 -0.24 1.20 0.04 -1.26 -4.84 135.00 134.61 1ujt s PRO 24 Ca 0.96 -0.51 -0.39 0.00 0.04 0.00 0.00 61.00 61.10 1ujt s PRO 24 Cb -1.36 -5.11 -0.14 0.00 0.04 0.00 0.00 34.50 27.93 1ujt s PRO 24 CO 0.72 -3.54 1.80 0.28 0.04 0.00 0.00 177.00 176.30 1ujt n VAL 25 N 7.86 0.38 -2.62 -0.36 0.31 -1.19 -4.77 118.33 117.94 1ujt n VAL 25 Ca 0.41 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.25 1ujt n VAL 25 Cb 0.47 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 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 3.85 3.99 -0.12 2.52 0.11 -1.26 -2.44 120.40 127.05 1ujt s VAL 26 Ca 0.98 0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 60.34 1ujt s VAL 26 Cb -0.97 -4.76 -0.26 0.00 -1.53 0.00 0.00 36.38 28.86 1ujt s VAL 26 CO 0.62 -1.48 0.82 -0.07 -3.33 0.00 0.00 175.10 171.66 1ujt h LEU 27 N 12.12 0.02 -8.16 2.54 3.38 -1.90 -3.48 115.31 119.84 1ujt h LEU 27 Ca -0.26 -0.95 -0.12 0.00 0.09 0.00 0.00 57.88 56.64 1ujt h LEU 27 Cb 1.06 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.65 1ujt h LEU 27 CO 1.20 0.97 -0.63 0.42 0.09 0.00 0.00 178.44 180.49 1ujt s THR 28 N -2.43 0.20 -2.00 0.22 -4.23 -0.33 -5.02 115.64 102.05 1ujt s THR 28 Ca -0.18 -1.67 0.13 0.00 -1.18 0.00 0.00 61.69 58.79 1ujt s THR 28 Cb -0.02 -1.43 0.38 0.00 1.34 0.00 0.00 72.50 72.76 1ujt s THR 28 CO 0.69 -0.92 1.22 -0.81 -0.54 0.00 0.00 174.62 174.26 1ujt n PRO 29 N 0.16 0.49 0.00 3.99 -0.04 -1.26 -2.33 135.00 136.01 1ujt n PRO 29 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1ujt n PRO 29 Cb 0.61 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1ujt n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 30 N -0.92 0.00 -3.86 0.52 -2.24 -1.26 -3.36 114.28 103.16 1ujt n THR 30 Ca 0.10 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1ujt n THR 30 Cb 0.05 0.48 -0.12 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 -1.62 0.03 -0.00 4.28 2.01 -0.98 -1.52 115.64 117.83 1ujt s THR 31 Ca 0.00 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.80 1ujt s THR 31 Cb 0.00 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1ujt s THR 31 CO 0.00 -0.12 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.04 1ujt s VAL 32 N -0.36 0.64 -0.09 3.82 1.01 -1.02 -1.19 120.40 123.22 1ujt s VAL 32 Ca -0.04 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 1ujt s VAL 32 Cb -0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1ujt s VAL 32 CO 0.00 0.14 0.64 -1.58 0.00 0.00 0.00 175.10 174.30 1ujt s GLN 33 N -0.31 4.39 -0.10 2.72 0.74 -1.02 -2.52 119.66 123.56 1ujt s GLN 33 Ca 0.02 0.75 0.01 0.00 0.05 0.00 0.00 55.36 56.20 1ujt s GLN 33 Cb -0.04 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 1ujt s GLN 33 CO -0.00 0.06 -0.14 0.08 -0.55 0.00 0.00 175.29 174.73 1ujt s VAL 34 N 0.87 3.01 0.07 1.34 1.01 0.41 -3.17 120.40 123.93 1ujt s VAL 34 Ca 0.34 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1ujt s VAL 34 Cb -0.17 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1ujt s VAL 34 CO 0.15 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 174.80 1ujt s THR 35 N 0.00 0.90 -0.01 3.92 2.01 -1.26 -1.36 115.64 119.84 1ujt s THR 35 Ca -0.04 -1.36 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 1ujt s THR 35 Cb -0.14 -1.04 0.08 0.00 0.01 0.00 0.00 72.50 71.40 1ujt s THR 35 CO 0.04 -0.38 0.72 -1.66 -0.69 0.00 0.00 174.62 172.65 1ujt s TRP 36 N -1.70 -0.57 0.28 4.92 -2.14 -0.96 -2.41 118.94 116.36 1ujt s TRP 36 Ca -0.02 0.78 0.08 0.00 2.66 0.00 0.00 56.10 59.60 1ujt s TRP 36 Cb -0.08 0.46 -0.06 0.00 -3.10 0.00 0.00 33.47 30.70 1ujt s TRP 36 CO 0.01 -0.63 -0.09 0.95 -2.66 0.00 0.00 176.95 174.52 1ujt s THR 37 N -2.01 1.84 -0.12 0.66 -4.23 0.73 -4.79 115.64 107.72 1ujt s THR 37 Ca -0.05 -2.18 -0.04 0.00 -1.18 0.00 0.00 61.69 58.24 1ujt s THR 37 Cb -0.00 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.50 1ujt s THR 37 CO 0.01 -0.35 0.15 0.68 -0.54 0.00 0.00 174.62 174.58 1ujt s VAL 38 N -2.89 -0.24 0.30 2.29 -7.23 -1.26 -0.86 120.40 110.51 1ujt s VAL 38 Ca 0.29 0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.71 1ujt s VAL 38 Cb 0.02 -0.40 0.30 0.00 0.56 0.00 0.00 36.38 36.86 1ujt s VAL 38 CO 0.12 0.02 1.69 0.44 -0.31 0.00 0.00 175.10 177.06 1ujt h ASP 39 N 8.37 0.34 -2.56 4.85 5.19 -1.95 -3.41 116.42 127.26 1ujt h ASP 39 Ca -0.14 0.16 -0.60 0.00 -0.62 0.00 0.00 57.03 55.83 1ujt h ASP 39 Cb 1.13 0.14 -0.15 0.00 0.18 0.00 0.00 39.33 40.63 1ujt h ASP 39 CO 0.19 -0.03 -0.77 -0.13 -3.12 0.00 0.00 179.24 175.38 1ujt s ARG 40 N -5.85 1.60 -0.37 3.56 0.52 -1.26 -5.06 118.95 112.08 1ujt s ARG 40 Ca -0.11 -1.69 -0.00 0.00 -0.52 0.00 0.00 55.73 53.41 1ujt s ARG 40 Cb 0.26 -1.71 0.10 0.00 0.52 0.00 0.00 34.95 34.12 1ujt s ARG 40 CO 0.78 0.33 0.11 -1.14 0.02 0.00 0.00 175.30 175.40 1ujt s GLN 41 N -3.32 1.88 0.18 3.54 0.74 -1.26 -4.93 119.66 116.49 1ujt s GLN 41 Ca 0.27 -1.75 -0.30 0.00 0.05 0.00 0.00 55.36 53.62 1ujt s GLN 41 Cb -0.05 -3.37 -0.08 0.00 1.10 0.00 0.00 33.01 30.60 1ujt s GLN 41 CO 0.13 -0.95 1.32 -1.25 -0.55 0.00 0.00 175.29 173.99 1ujt s PRO 42 N 1.07 4.38 -0.10 1.67 0.04 -1.26 -4.96 135.00 135.84 1ujt s PRO 42 Ca 0.07 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 1ujt s PRO 42 Cb -0.21 -3.21 -0.28 0.00 0.04 0.00 0.00 34.50 30.84 1ujt s PRO 42 CO -0.05 -0.28 0.66 1.96 0.04 0.00 0.00 177.00 179.32 1ujt h GLN 43 N 5.68 0.21 -0.65 4.56 1.08 -2.00 -3.32 115.11 120.67 1ujt h GLN 43 Ca -0.44 -0.36 0.16 0.00 -1.45 0.00 0.00 58.65 56.56 1ujt h GLN 43 Cb 1.21 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.74 1ujt h GLN 43 CO 0.79 1.17 0.45 0.27 -0.95 0.00 0.00 178.83 180.56 1ujt h PHE 44 N -0.48 0.20 -1.81 2.96 -0.00 -1.97 -3.43 116.94 112.42 1ujt h PHE 44 Ca -0.22 0.01 -0.49 0.00 -0.00 0.00 0.00 57.97 57.27 1ujt h PHE 44 Cb 1.59 -0.06 0.24 0.00 -0.00 0.00 0.00 35.95 37.72 1ujt h PHE 44 CO 0.16 0.08 -1.84 1.51 -0.00 0.00 0.00 178.31 178.22 1ujt n ILE 45 N -4.41 0.00 0.00 0.88 3.06 -1.25 -4.86 119.36 112.78 1ujt n ILE 45 Ca 0.12 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 1ujt n ILE 45 Cb 0.60 -0.28 0.00 0.00 0.54 0.00 0.00 39.64 40.51 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 0.44 0.44 0.00 9.51 1.13 -1.11 -4.95 117.38 122.85 1ujt n GLN 46 Ca -0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ujt n GLN 46 Cb 0.67 -0.84 0.00 0.00 0.11 0.00 0.00 30.24 30.18 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 2.76 2.56 2.78 1.08 0.00 -1.23 -3.63 105.19 109.50 1ujt n GLY 47 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1ujt n GLY 47 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ujt s TYR 48 N -0.80 -0.41 -0.15 1.61 2.02 -1.26 -4.03 117.35 114.32 1ujt s TYR 48 Ca 0.00 0.22 -0.25 0.00 -0.37 0.00 0.00 57.07 56.67 1ujt s TYR 48 Cb 0.00 -0.33 -0.02 0.00 -0.40 0.00 0.00 41.96 41.22 1ujt s TYR 48 CO 0.00 -0.71 0.81 0.50 -1.57 0.00 0.00 175.55 174.59 1ujt s ARG 49 N 2.37 4.32 -0.65 -0.62 3.52 -1.21 -2.82 118.95 123.86 1ujt s ARG 49 Ca 0.09 1.00 -0.08 0.00 -0.13 0.00 0.00 55.73 56.60 1ujt s ARG 49 Cb -0.15 -3.55 0.17 0.00 -1.56 0.00 0.00 34.95 29.85 1ujt s ARG 49 CO -0.18 -0.27 0.53 0.08 -0.81 0.00 0.00 175.30 174.65 1ujt s VAL 50 N 1.93 4.50 0.06 7.11 1.01 -1.06 -3.12 120.40 130.83 1ujt s VAL 50 Ca 0.38 -2.47 -0.31 0.00 0.00 0.00 0.00 61.98 59.59 1ujt s VAL 50 Cb -0.17 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 1ujt s VAL 50 CO 0.14 -0.90 1.24 -0.04 0.00 0.00 0.00 175.10 175.53 1ujt s MET 51 N 0.41 4.40 0.02 2.72 -1.94 -1.19 -2.17 119.30 121.55 1ujt s MET 51 Ca 0.14 1.82 -0.07 0.00 -1.71 0.00 0.00 55.69 55.87 1ujt s MET 51 Cb -0.19 -3.35 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 1ujt s MET 51 CO -0.04 -0.31 0.14 1.52 -0.01 0.00 0.00 175.02 176.32 1ujt s TYR 52 N 1.18 0.09 0.36 -0.03 1.13 -1.12 -2.59 117.35 116.37 1ujt s TYR 52 Ca 0.60 -0.26 -0.14 0.00 -1.41 0.00 0.00 57.07 55.85 1ujt s TYR 52 Cb -0.31 -0.07 0.04 0.00 -1.10 0.00 0.00 41.96 40.53 1ujt s TYR 52 CO 0.29 -0.34 0.73 -0.98 -2.51 0.00 0.00 175.55 172.74 1ujt s ARG 53 N -1.95 2.12 -0.07 -3.49 1.70 -1.09 -1.77 118.95 114.39 1ujt s ARG 53 Ca -0.10 -1.42 -0.04 0.00 -0.47 0.00 0.00 55.73 53.69 1ujt s ARG 53 Cb -0.05 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 1ujt s ARG 53 CO -0.01 -0.97 0.12 -1.14 -1.08 0.00 0.00 175.30 172.22 1ujt s GLN 54 N -2.66 3.31 -0.17 3.89 0.74 -1.25 -2.96 119.66 120.56 1ujt s GLN 54 Ca 0.17 -0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.27 1ujt s GLN 54 Cb -0.04 -3.06 -0.23 0.00 1.10 0.00 0.00 33.01 30.78 1ujt s GLN 54 CO 0.12 0.72 0.16 0.25 -0.55 0.00 0.00 175.29 175.99 1ujt n THR 55 N 1.63 1.68 -4.55 -0.34 -2.24 -1.16 -1.77 114.28 107.54 1ujt n THR 55 Ca -0.17 -0.63 -0.27 0.00 -2.27 0.00 0.00 64.05 60.72 1ujt n THR 55 Cb 0.54 -1.62 -0.08 0.00 -2.10 0.00 0.00 70.33 67.07 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 -6.86 2.98 0.08 3.42 0.15 -1.26 -4.44 113.70 107.77 1ujt s SER 56 Ca -0.27 -1.69 0.00 0.00 0.70 0.00 0.00 55.95 54.69 1ujt s SER 56 Cb 0.07 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1ujt s SER 56 CO 0.71 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1ujt n GLY 57 N -0.97 0.93 0.26 9.45 0.00 -1.26 -4.13 105.19 109.47 1ujt n GLY 57 Ca -0.08 -1.40 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 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 1.68 -1.43 0.99 -0.00 -1.26 -4.50 117.00 112.48 1ujt n LEU 58 Ca 0.00 0.29 -0.05 0.00 -0.00 0.00 0.00 56.01 56.25 1ujt n LEU 58 Cb 0.00 -0.70 0.02 0.00 -0.00 0.00 0.00 43.42 42.74 1ujt n LEU 58 CO 0.00 0.46 0.87 0.00 -0.00 0.00 0.00 177.39 178.72 1ujt n GLN 59 N -4.08 1.24 -3.32 1.96 6.02 -1.26 -4.82 117.38 113.12 1ujt n GLN 59 Ca -0.45 -0.52 -0.37 0.00 -0.01 0.00 0.00 57.00 55.65 1ujt n GLN 59 Cb 0.82 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.59 3.58 0.00 -1.58 0.00 -1.26 -3.92 121.76 117.99 1ujt s ALA 60 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1ujt s ALA 60 Cb 0.08 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1ujt s ALA 60 CO 0.01 0.43 0.00 -2.37 0.00 0.00 0.00 175.76 173.82 1ujt n THR 61 N 1.26 0.00 -0.06 0.00 5.66 -0.73 -4.72 114.28 115.70 1ujt n THR 61 Ca -0.08 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.73 1ujt n THR 61 Cb 0.51 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.17 1ujt n THR 61 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1ujt h SER 62 N 0.00 0.11 -2.08 1.09 0.87 -1.85 -3.49 113.55 108.21 1ujt h SER 62 Ca 0.00 -0.75 0.16 0.00 -1.23 0.00 0.00 61.79 59.97 1ujt h SER 62 Cb 0.68 -0.04 -0.29 0.00 -0.44 0.00 0.00 62.40 62.32 1ujt h SER 62 CO 0.00 1.39 0.49 -0.94 -0.53 0.00 0.00 176.83 177.25 1ujt s SER 63 N -6.73 -0.35 0.91 6.23 1.04 -1.26 -5.17 113.70 108.37 1ujt s SER 63 Ca -0.23 0.54 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 1ujt s SER 63 Cb 0.03 1.19 0.14 0.00 0.10 0.00 0.00 66.02 67.48 1ujt s SER 63 CO 0.67 -0.08 1.09 0.26 0.98 0.00 0.00 173.24 176.16 1ujt s TRP 64 N 1.40 2.18 0.37 5.02 0.52 -1.26 -4.84 118.94 122.34 1ujt s TRP 64 Ca -0.08 1.35 0.05 0.00 0.02 0.00 0.00 56.10 57.45 1ujt s TRP 64 Cb -0.03 -3.16 -0.02 0.00 -1.15 0.00 0.00 33.47 29.11 1ujt s TRP 64 CO -0.14 -2.50 0.19 1.04 0.02 0.00 0.00 176.95 175.56 1ujt n GLN 65 N -3.97 0.52 -3.65 4.98 6.02 -0.73 -5.00 117.38 115.55 1ujt n GLN 65 Ca 0.07 -3.34 -0.12 0.00 -0.01 0.00 0.00 57.00 53.61 1ujt n GLN 65 Cb 0.54 2.12 -0.07 0.00 1.02 0.00 0.00 30.24 33.85 1ujt n GLN 65 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ujt s ASN 66 N -3.39 -0.75 -0.40 1.08 2.20 -1.26 -2.78 114.94 109.62 1ujt s ASN 66 Ca 0.27 1.38 -0.01 0.00 -0.94 0.00 0.00 52.86 53.56 1ujt s ASN 66 Cb 0.01 1.36 0.11 0.00 -2.00 0.00 0.00 41.25 40.73 1ujt s ASN 66 CO 0.19 -0.23 0.18 -0.22 -2.94 0.00 0.00 177.10 174.07 1ujt s LEU 67 N 0.69 5.10 -0.47 3.54 2.96 -0.92 -4.90 118.68 124.69 1ujt s LEU 67 Ca -0.03 -2.13 -0.27 0.00 -0.22 0.00 0.00 54.13 51.48 1ujt s LEU 67 Cb -0.05 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1ujt s LEU 67 CO -0.04 -0.48 1.81 1.51 -1.32 0.00 0.00 176.35 177.82 1ujt s ASP 68 N 1.47 5.60 0.45 3.68 1.47 -1.26 -2.58 116.67 125.51 1ujt s ASP 68 Ca 0.10 0.81 0.14 0.00 1.18 0.00 0.00 52.55 54.78 1ujt s ASP 68 Cb -0.22 -2.53 1.06 0.00 -0.34 0.00 0.00 42.92 40.89 1ujt s ASP 68 CO -0.05 -2.03 2.02 0.00 0.68 0.00 0.00 175.17 175.79 1ujt h ALA 69 N 13.83 2.00 -2.53 2.11 0.00 -1.93 -3.46 119.26 129.29 1ujt h ALA 69 Ca -0.29 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.22 1ujt h ALA 69 Cb 1.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1ujt h ALA 69 CO 1.13 -0.10 -0.48 1.63 0.00 0.00 0.00 179.25 181.43 1ujt n LYS 70 N -4.47 -1.51 -3.23 0.00 5.02 -1.26 -4.95 118.16 107.75 1ujt n LYS 70 Ca 0.07 0.96 0.04 0.00 -2.02 0.00 0.00 58.31 57.36 1ujt n LYS 70 Cb 0.30 -5.50 -0.02 0.00 -0.02 0.00 0.00 35.03 29.79 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 -2.93 -0.62 -0.13 -0.18 0.11 -1.26 -5.02 120.40 110.37 1ujt s VAL 71 Ca 0.00 0.00 0.30 0.00 -2.93 0.00 0.00 61.98 59.35 1ujt s VAL 71 Cb 0.00 -1.00 0.33 0.00 -1.53 0.00 0.00 36.38 34.18 1ujt s VAL 71 CO 0.00 0.00 1.88 1.55 -3.33 0.00 0.00 175.10 175.20 1ujt h PRO 72 N 7.90 0.00 -0.89 1.54 0.13 -1.87 -2.83 132.00 135.97 1ujt h PRO 72 Ca -0.17 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.88 1ujt h PRO 72 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1ujt h PRO 72 CO 0.06 0.00 0.10 0.25 -0.23 0.00 0.00 178.00 178.19 1ujt n THR 73 N -2.73 1.45 -3.85 1.56 -2.24 -1.26 -4.74 114.28 102.47 1ujt n THR 73 Ca 0.01 -0.67 -0.27 0.00 -2.27 0.00 0.00 64.05 60.85 1ujt n THR 73 Cb 0.27 -0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 67.78 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 -1.61 1.20 -0.36 -0.78 2.02 -1.07 -5.00 118.70 113.11 1ujt s GLU 74 Ca 0.23 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 54.86 1ujt s GLU 74 Cb 0.18 -1.90 0.58 0.00 0.10 0.00 0.00 34.13 33.10 1ujt s GLU 74 CO 0.06 -0.45 1.67 0.54 0.02 0.00 0.00 175.26 177.09 1ujt n ARG 75 N 4.94 2.02 -3.66 1.61 5.12 -1.26 -4.87 116.66 120.55 1ujt n ARG 75 Ca -0.11 -3.12 -0.09 0.00 -1.93 0.00 0.00 57.85 52.60 1ujt n ARG 75 Cb 0.48 -1.98 -0.08 0.00 -1.16 0.00 0.00 32.46 29.71 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1ujt s SER 76 N -2.01 -0.77 0.11 0.55 1.04 -1.26 -2.26 113.70 109.10 1ujt s SER 76 Ca 0.50 1.27 0.08 0.00 0.48 0.00 0.00 55.95 58.28 1ujt s SER 76 Cb 0.44 1.15 -0.04 0.00 0.10 0.00 0.00 66.02 67.68 1ujt s SER 76 CO 0.04 -0.22 -0.20 0.00 0.98 0.00 0.00 173.24 173.84 1ujt s ALA 77 N 1.47 1.79 -0.36 5.32 0.00 -0.47 -4.97 121.76 124.54 1ujt s ALA 77 Ca -0.09 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.61 1ujt s ALA 77 Cb -0.06 -0.22 0.10 0.00 0.00 0.00 0.00 23.12 22.94 1ujt s ALA 77 CO -0.16 0.33 0.11 0.08 0.00 0.00 0.00 175.76 176.11 1ujt s VAL 78 N -1.32 2.71 -0.50 0.00 1.01 -1.26 -0.45 120.40 120.60 1ujt s VAL 78 Ca 0.07 -2.18 -0.29 0.00 0.00 0.00 0.00 61.98 59.59 1ujt s VAL 78 Cb -0.09 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1ujt s VAL 78 CO 0.04 -0.61 1.25 -0.76 0.00 0.00 0.00 175.10 175.02 1ujt s LEU 79 N 1.01 3.55 0.00 3.92 1.43 -1.05 -4.92 118.68 122.63 1ujt s LEU 79 Ca 0.09 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.69 1ujt s LEU 79 Cb -0.21 -3.40 0.08 0.00 0.03 0.00 0.00 46.19 42.69 1ujt s LEU 79 CO -0.06 -1.40 0.63 1.33 0.23 0.00 0.00 176.35 177.07 1ujt n VAL 80 N 6.87 0.00 -3.76 -1.59 0.24 -1.26 -2.43 118.33 116.40 1ujt n VAL 80 Ca 0.12 -1.41 -0.26 0.00 -2.04 0.00 0.00 64.34 60.76 1ujt n VAL 80 Cb 0.49 -0.70 0.02 0.00 -1.47 0.00 0.00 33.84 32.18 1ujt n VAL 80 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ujt n ASN 81 N -2.57 -2.41 -4.82 -1.34 5.03 -1.05 -4.93 115.26 103.18 1ujt n ASN 81 Ca 0.12 -0.94 -0.22 0.00 0.87 0.00 0.00 54.58 54.41 1ujt n ASN 81 Cb 0.45 -3.55 -0.04 0.00 -1.02 0.00 0.00 39.78 35.62 1ujt n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ujt s LEU 82 N -6.66 3.51 0.39 3.41 1.43 -0.57 -5.07 118.68 115.11 1ujt s LEU 82 Ca 0.17 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1ujt s LEU 82 Cb -0.06 -2.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 1ujt s LEU 82 CO 0.85 -0.32 0.82 -0.75 0.23 0.00 0.00 176.35 177.17 1ujt s LYS 83 N -3.94 3.99 -0.14 1.70 2.47 -1.26 -4.51 119.74 118.05 1ujt s LYS 83 Ca 0.40 0.75 -0.05 0.00 -1.56 0.00 0.00 55.97 55.51 1ujt s LYS 83 Cb -0.05 -2.34 -0.03 0.00 -1.46 0.00 0.00 37.83 33.95 1ujt s LYS 83 CO 0.25 0.02 0.02 -1.59 0.16 0.00 0.00 175.35 174.22 1ujt s LYS 84 N -3.35 3.53 0.00 4.03 -2.85 -1.21 -4.53 119.74 115.36 1ujt s LYS 84 Ca 0.56 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 1ujt s LYS 84 Cb -0.10 -2.99 0.00 0.00 -2.06 0.00 0.00 37.83 32.68 1ujt s LYS 84 CO 0.21 0.45 0.00 0.41 0.10 0.00 0.00 175.35 176.52 1ujt n GLY 85 N 2.95 0.96 3.45 0.59 0.00 0.94 -4.90 105.19 109.19 1ujt n GLY 85 Ca -0.18 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.53 0.00 0.54 1.61 0.11 -1.16 -4.98 120.40 113.99 1ujt s VAL 86 Ca 0.00 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.98 1ujt s VAL 86 Cb 0.00 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1ujt s VAL 86 CO 0.00 0.00 0.88 -0.89 -3.33 0.00 0.00 175.10 171.76 1ujt s THR 87 N -3.21 4.73 -0.15 5.04 2.01 -1.26 -1.55 115.64 121.26 1ujt s THR 87 Ca 0.00 0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 1ujt s THR 87 Cb -0.01 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.74 1ujt s THR 87 CO -0.09 -0.92 0.20 -0.31 -0.69 0.00 0.00 174.62 172.81 1ujt s TYR 88 N -2.92 -0.24 -0.10 4.92 1.51 0.84 -2.98 117.35 118.38 1ujt s TYR 88 Ca 0.51 0.45 -0.27 0.00 -1.01 0.00 0.00 57.07 56.74 1ujt s TYR 88 Cb -0.11 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.43 1ujt s TYR 88 CO 0.48 -0.44 0.88 -2.00 -1.11 0.00 0.00 175.55 173.36 1ujt s GLU 89 N 2.32 4.41 0.02 -0.62 2.12 -1.15 -1.14 118.70 124.66 1ujt s GLU 89 Ca 0.04 1.17 0.02 0.00 0.36 0.00 0.00 54.97 56.56 1ujt s GLU 89 Cb -0.14 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1ujt s GLU 89 CO -0.09 -0.20 -0.06 0.42 -0.54 0.00 0.00 175.26 174.79 1ujt s ILE 90 N 1.64 0.39 -0.16 -3.70 1.01 -0.58 -2.68 121.20 117.13 1ujt s ILE 90 Ca 0.44 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 60.20 1ujt s ILE 90 Cb -0.18 -0.44 0.04 0.00 0.01 0.00 0.00 42.46 41.89 1ujt s ILE 90 CO 0.18 -0.24 0.42 -1.59 0.00 0.00 0.00 174.94 173.70 1ujt s LYS 91 N -1.06 0.48 0.09 2.79 0.00 -1.07 -1.45 119.74 119.53 1ujt s LYS 91 Ca -0.07 0.58 -0.17 0.00 0.00 0.00 0.00 55.97 56.30 1ujt s LYS 91 Cb -0.07 0.24 -0.07 0.00 0.00 0.00 0.00 37.83 37.93 1ujt s LYS 91 CO -0.00 -0.06 0.55 0.08 0.00 0.00 0.00 175.35 175.92 1ujt s VAL 92 N 0.23 4.80 -0.17 1.79 1.01 -1.26 -3.19 120.40 123.61 1ujt s VAL 92 Ca -0.00 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 63.00 1ujt s VAL 92 Cb -0.03 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.60 1ujt s VAL 92 CO 0.00 0.46 0.26 0.00 0.00 0.00 0.00 175.10 175.83 1ujt s ARG 93 N -1.37 0.19 -0.45 2.72 1.70 -1.18 -1.84 118.95 118.72 1ujt s ARG 93 Ca 0.31 0.54 -0.28 0.00 -0.47 0.00 0.00 55.73 55.83 1ujt s ARG 93 Cb -0.18 -0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 33.70 1ujt s ARG 93 CO 0.18 -0.46 1.76 -1.25 -1.08 0.00 0.00 175.30 174.46 1ujt s PRO 94 N 2.41 3.11 0.16 3.89 0.04 -1.26 -3.34 135.00 140.01 1ujt s PRO 94 Ca 0.05 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.19 1ujt s PRO 94 Cb -0.14 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.12 1ujt s PRO 94 CO -0.11 -2.13 0.11 1.52 0.04 0.00 0.00 177.00 176.43 1ujt s TYR 95 N 7.47 3.11 -0.01 0.56 -0.85 -1.26 0.17 117.35 126.54 1ujt s TYR 95 Ca 0.72 -0.02 -0.06 0.00 -0.52 0.00 0.00 57.07 57.18 1ujt s TYR 95 Cb -0.17 -1.50 -0.02 0.00 0.38 0.00 0.00 41.96 40.64 1ujt s TYR 95 CO 0.29 0.52 -0.13 0.34 -1.52 0.00 0.00 175.55 175.05 1ujt n PHE 96 N -0.24 0.00 0.00 -3.49 7.35 -1.20 -2.73 117.46 117.14 1ujt n PHE 96 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1ujt n PHE 96 Cb 0.54 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.19 1ujt n PHE 96 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ujt n ASN 97 N -3.74 0.00 -0.00 -2.13 2.85 -1.26 -4.13 115.26 106.84 1ujt n ASN 97 Ca -0.05 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1ujt n ASN 97 Cb 0.19 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.20 1ujt n ASN 97 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1ujt n GLU 98 N -2.31 2.66 -2.25 1.20 0.28 -1.26 -5.05 120.64 113.91 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 -1.02 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 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 -2.02 3.56 -0.05 -1.84 -0.71 -1.26 -5.08 117.98 110.57 1ujt s PHE 99 Ca -0.01 1.21 0.04 0.00 -1.04 0.00 0.00 56.93 57.13 1ujt s PHE 99 Cb 0.00 -2.62 -0.00 0.00 -1.21 0.00 0.00 43.02 39.19 1ujt s PHE 99 CO 0.03 -0.47 -0.18 1.14 -1.34 0.00 0.00 175.22 174.40 1ujt s GLN 100 N -4.70 2.00 0.88 1.99 1.03 -1.26 -3.26 119.66 116.35 1ujt s GLN 100 Ca 0.54 -0.65 -0.11 0.00 0.04 0.00 0.00 55.36 55.17 1ujt s GLN 100 Cb -0.11 -1.69 0.12 0.00 0.03 0.00 0.00 33.01 31.37 1ujt s GLN 100 CO 0.45 0.23 1.09 0.20 -2.54 0.00 0.00 175.29 174.72 1ujt s GLY 101 N 0.12 1.62 0.20 2.60 0.00 0.13 -4.90 107.32 107.09 1ujt s GLY 101 Ca -0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 44.72 44.43 1ujt s GLY 101 CO 0.03 0.45 0.32 1.15 0.00 0.00 0.00 173.10 175.06 1ujt n MET 102 N -3.85 0.00 -3.34 2.90 0.00 -1.26 -4.29 117.12 107.28 1ujt n MET 102 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.39 1ujt n MET 102 Cb 0.55 -0.79 -0.06 0.00 0.00 0.00 0.00 33.22 32.92 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 -0.79 6.74 1.02 3.17 1.47 -1.26 -4.42 116.67 122.60 1ujt s ASP 103 Ca 0.49 0.88 -0.13 0.00 1.18 0.00 0.00 52.55 54.98 1ujt s ASP 103 Cb -0.68 -2.29 0.20 0.00 -0.34 0.00 0.00 42.92 39.82 1ujt s ASP 103 CO 0.45 0.09 1.09 -0.94 0.68 0.00 0.00 175.17 176.54 1ujt s SER 104 N 0.15 2.41 -0.34 2.11 1.04 -0.77 -4.85 113.70 113.46 1ujt s SER 104 Ca 0.26 1.19 -0.31 0.00 0.48 0.00 0.00 55.95 57.57 1ujt s SER 104 Cb -0.16 -1.86 -0.08 0.00 0.10 0.00 0.00 66.02 64.02 1ujt s SER 104 CO 0.12 -3.27 2.26 -0.62 0.98 0.00 0.00 173.24 172.71 1ujt n GLU 105 N -4.26 1.42 -1.56 4.02 1.02 -1.26 -4.69 120.64 115.32 1ujt n GLU 105 Ca 0.05 0.34 -0.48 0.00 -0.02 0.00 0.00 57.16 57.05 1ujt n GLU 105 Cb 0.57 -2.92 -0.05 0.00 -0.02 0.00 0.00 31.44 29.02 1ujt n GLU 105 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ujt n SER 106 N 11.63 2.86 -4.79 1.62 7.64 -1.26 -4.83 113.62 126.49 1ujt n SER 106 Ca 0.37 0.52 -0.36 0.00 1.01 0.00 0.00 58.87 60.41 1ujt n SER 106 Cb 0.37 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.11 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 5.62 3.73 -0.21 1.43 -0.14 -0.53 -4.89 119.74 124.74 1ujt s LYS 107 Ca 1.02 -0.20 -0.10 0.00 -1.36 0.00 0.00 55.97 55.32 1ujt s LYS 107 Cb -0.66 -3.25 -0.05 0.00 -1.68 0.00 0.00 37.83 32.20 1ujt s LYS 107 CO 0.46 0.55 0.14 0.95 -0.76 0.00 0.00 175.35 176.69 1ujt s THR 108 N -0.38 5.38 -0.21 2.17 -4.23 -1.26 -1.52 115.64 115.60 1ujt s THR 108 Ca 0.11 0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.76 1ujt s THR 108 Cb -0.12 -3.47 -0.02 0.00 1.34 0.00 0.00 72.50 70.24 1ujt s THR 108 CO 0.01 0.42 -0.03 0.54 -0.54 0.00 0.00 174.62 175.02 1ujt s VAL 109 N 0.54 3.65 -0.52 2.29 0.11 -0.29 -4.86 120.40 121.31 1ujt s VAL 109 Ca 0.08 -0.41 -0.19 0.00 -2.93 0.00 0.00 61.98 58.53 1ujt s VAL 109 Cb -0.12 -2.65 0.07 0.00 -1.53 0.00 0.00 36.38 32.16 1ujt s VAL 109 CO -0.00 0.43 0.62 -0.60 -3.33 0.00 0.00 175.10 172.21 1ujt s ARG 110 N 1.19 3.09 -0.53 1.54 3.52 -1.26 -0.11 118.95 126.38 1ujt s ARG 110 Ca 0.03 -1.05 -0.28 0.00 -0.13 0.00 0.00 55.73 54.30 1ujt s ARG 110 Cb -0.14 -4.14 0.01 0.00 -1.56 0.00 0.00 34.95 29.11 1ujt s ARG 110 CO 0.00 -1.28 1.40 0.95 -0.81 0.00 0.00 175.30 175.56 1ujt s THR 111 N 2.53 3.83 1.03 4.11 -4.23 -0.60 -4.95 115.64 117.36 1ujt s THR 111 Ca 0.13 0.74 -0.17 0.00 -1.18 0.00 0.00 61.69 61.21 1ujt s THR 111 Cb -0.21 -4.41 0.03 0.00 1.34 0.00 0.00 72.50 69.25 1ujt s THR 111 CO 0.10 -1.10 -0.04 1.07 -0.54 0.00 0.00 174.62 174.11 1ujt n THR 112 N 6.90 0.00 -4.74 3.99 5.66 -1.26 -0.04 114.28 124.79 1ujt n THR 112 Ca 0.13 -0.25 -0.24 0.00 -3.05 0.00 0.00 64.05 60.64 1ujt n THR 112 Cb 0.49 -0.50 -0.16 0.00 -1.55 0.00 0.00 70.33 68.61 1ujt n THR 112 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ujt s GLU 113 N -3.27 1.45 -1.64 1.09 1.03 -1.26 -3.12 118.70 112.99 1ujt s GLU 113 Ca 0.53 -0.55 -0.19 0.00 0.03 0.00 0.00 54.97 54.79 1ujt s GLU 113 Cb -0.14 -1.33 0.18 0.00 -0.80 0.00 0.00 34.13 32.03 1ujt s GLU 113 CO 0.68 0.27 0.64 -1.91 -1.33 0.00 0.00 175.26 173.61 1ujt n GLU 114 N 2.97 -2.18 -1.69 -4.83 2.13 -1.26 -4.79 120.64 110.98 1ujt n GLU 114 Ca -0.17 0.26 -0.43 0.00 0.66 0.00 0.00 57.16 57.49 1ujt n GLU 114 Cb 0.54 -4.92 -0.03 0.00 0.27 0.00 0.00 31.44 27.29 1ujt n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ujt n SER 115 N -2.47 3.98 -4.44 4.31 3.41 -1.26 -4.79 113.62 112.35 1ujt n SER 115 Ca 0.08 0.99 -0.47 0.00 -0.26 0.00 0.00 58.87 59.21 1ujt n SER 115 Cb 0.48 -1.53 -0.10 0.00 -0.26 0.00 0.00 64.21 62.80 1ujt n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujt n GLY 116 N 4.22 -0.00 3.57 5.00 0.00 -1.26 -4.82 105.19 111.89 1ujt n GLY 116 Ca 0.18 0.99 -0.40 0.00 0.00 0.00 0.00 46.02 46.80 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 7.44 2.90 -0.23 1.61 0.04 -1.26 -4.93 135.00 140.57 1ujt s PRO 117 Ca 1.18 0.87 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 1ujt s PRO 117 Cb -0.99 -4.31 0.09 0.00 0.04 0.00 0.00 34.50 29.33 1ujt s PRO 117 CO 0.48 -2.39 0.81 -1.12 0.04 0.00 0.00 177.00 174.82 1ujt s SER 118 N 7.20 -0.64 -0.08 6.66 0.01 -1.26 -5.16 113.70 120.43 1ujt s SER 118 Ca 0.70 1.11 0.04 0.00 1.31 0.00 0.00 55.95 59.11 1ujt s SER 118 Cb -0.15 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.17 1ujt s SER 118 CO 0.25 -0.29 -0.20 -0.44 0.41 0.00 0.00 173.24 172.97 1ujt s SER 119 N -0.03 2.62 0.00 2.44 0.01 -1.26 -5.27 113.70 112.21 1ujt s SER 119 Ca -0.01 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1ujt s SER 119 Cb -0.04 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1ujt s SER 119 CO 0.01 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.39