#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujt s SER 2 N 0.00 6.97 -0.15 1.61 1.04 -1.26 -4.94 113.70 116.97 1ujt s SER 2 Ca 0.00 -2.82 -0.09 0.00 0.48 0.00 0.00 55.95 53.52 1ujt s SER 2 Cb 0.00 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.81 1ujt s SER 2 CO 0.00 -0.75 0.37 -0.44 0.98 0.00 0.00 173.24 173.40 1ujt s SER 3 N 2.77 -0.43 0.00 7.02 0.01 -1.26 -5.10 113.70 116.71 1ujt s SER 3 Ca 0.37 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1ujt s SER 3 Cb -0.05 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.88 1ujt s SER 3 CO -0.04 -0.17 0.54 0.61 0.41 0.00 0.00 173.24 174.59 1ujt n GLY 4 N 3.89 -3.14 3.57 3.44 0.00 -1.26 -3.92 105.19 107.76 1ujt n GLY 4 Ca -0.21 0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ujt n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujt s SER 5 N -2.31 5.57 -0.07 1.61 0.01 -1.26 -4.90 113.70 112.35 1ujt s SER 5 Ca 0.00 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.92 1ujt s SER 5 Cb 0.00 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1ujt s SER 5 CO 0.00 -2.42 -0.06 -0.94 0.41 0.00 0.00 173.24 170.23 1ujt s SER 6 N 6.53 1.61 -0.36 2.44 1.04 -1.25 -5.04 113.70 118.66 1ujt s SER 6 Ca 0.63 -0.20 0.14 0.00 0.48 0.00 0.00 55.95 57.00 1ujt s SER 6 Cb -0.02 -0.64 0.42 0.00 0.10 0.00 0.00 66.02 65.88 1ujt s SER 6 CO 0.03 -0.09 0.91 0.61 0.98 0.00 0.00 173.24 175.68 1ujt n GLY 7 N 4.50 2.82 0.16 7.32 0.00 -1.26 -4.67 105.19 114.05 1ujt n GLY 7 Ca -0.17 -1.65 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.03 0.57 -0.06 1.61 3.00 -1.26 -4.39 116.66 116.10 1ujt n ARG 8 Ca 0.18 0.25 0.01 0.00 -0.01 0.00 0.00 57.85 58.28 1ujt n ARG 8 Cb 0.74 -1.46 0.03 0.00 0.00 0.00 0.00 32.46 31.77 1ujt n ARG 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1ujt n GLN 9 N -4.24 1.25 -0.11 5.56 7.27 -1.26 -3.92 117.38 121.93 1ujt n GLN 9 Ca -0.50 -0.27 -0.11 0.00 0.07 0.00 0.00 57.00 56.19 1ujt n GLN 9 Cb 0.85 -1.29 -0.03 0.00 2.41 0.00 0.00 30.24 32.18 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 0.38 1.27 0.00 1.69 3.04 -1.92 0.15 116.25 120.87 1ujt h VAL 10 Ca 0.00 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 1ujt h VAL 10 Cb 0.34 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1ujt h VAL 10 CO 0.02 0.35 0.00 0.00 -1.01 0.00 0.00 177.57 176.93 1ujt n GLN 11 N -4.47 0.10 -0.11 4.17 6.02 -1.25 -0.79 117.38 121.05 1ujt n GLN 11 Ca -0.02 0.36 -0.18 0.00 -0.01 0.00 0.00 57.00 57.15 1ujt n GLN 11 Cb 0.31 -1.70 -0.07 0.00 1.02 0.00 0.00 30.24 29.80 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 -1.88 0.55 -0.18 -1.09 0.00 -0.95 -4.44 118.16 110.16 1ujt n LYS 12 Ca 0.02 0.33 -0.06 0.00 0.00 0.00 0.00 58.31 58.61 1ujt n LYS 12 Cb 0.18 -1.54 0.10 0.00 0.00 0.00 0.00 35.03 33.77 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 -1.00 0.98 -0.87 1.64 4.57 -0.72 -2.06 114.58 117.11 1ujt h GLU 13 Ca -0.31 -0.25 0.18 0.00 -1.18 0.00 0.00 59.36 57.80 1ujt h GLU 13 Cb 1.20 -0.12 -0.16 0.00 -0.16 0.00 0.00 28.75 29.50 1ujt h GLU 13 CO -0.19 0.91 -0.20 1.25 -1.18 0.00 0.00 179.01 179.61 1ujt h LEU 14 N 0.92 -0.78 -1.44 1.64 5.85 -1.16 0.73 115.31 121.07 1ujt h LEU 14 Ca 0.18 0.26 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1ujt h LEU 14 Cb 0.42 0.53 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1ujt h LEU 14 CO 0.01 -0.29 0.00 0.61 -0.34 0.00 0.00 178.44 178.44 1ujt n GLY 15 N -1.55 0.51 0.08 3.75 0.00 -1.15 -4.00 105.19 102.82 1ujt n GLY 15 Ca 0.14 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1ujt n GLY 15 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ujt h ASP 16 N 3.48 0.00 -2.33 1.61 1.82 0.11 -3.47 116.42 117.64 1ujt h ASP 16 Ca 0.00 -0.21 -0.61 0.00 -0.39 0.00 0.00 57.03 55.82 1ujt h ASP 16 Cb 0.74 0.00 0.12 0.00 0.68 0.00 0.00 39.33 40.87 1ujt h ASP 16 CO 0.00 0.98 -0.09 0.55 -1.61 0.00 0.00 179.24 179.07 1ujt n VAL 17 N -4.57 2.00 -3.73 2.25 3.14 0.24 -4.94 118.33 112.72 1ujt n VAL 17 Ca -0.15 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.36 1ujt n VAL 17 Cb 0.38 -0.77 -0.11 0.00 -1.06 0.00 0.00 33.84 32.29 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 0.98 5.34 -0.49 6.55 0.20 -1.26 -4.91 118.68 125.10 1ujt s LEU 18 Ca 0.61 -2.03 -0.26 0.00 0.69 0.00 0.00 54.13 53.14 1ujt s LEU 18 Cb -0.69 -1.86 0.03 0.00 -0.43 0.00 0.00 46.19 43.24 1ujt s LEU 18 CO 0.58 -0.57 0.99 -0.69 -0.29 0.00 0.00 176.35 176.38 1ujt s VAL 19 N 1.15 4.36 -0.47 1.68 1.01 -1.26 -3.36 120.40 123.51 1ujt s VAL 19 Ca 0.08 0.78 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 1ujt s VAL 19 Cb -0.23 -4.51 0.03 0.00 0.00 0.00 0.00 36.38 31.67 1ujt s VAL 19 CO -0.04 -0.96 0.68 -0.13 0.00 0.00 0.00 175.10 174.65 1ujt s ARG 20 N 4.04 3.25 -0.49 2.72 0.52 0.14 -4.39 118.95 124.74 1ujt s ARG 20 Ca 0.39 -0.48 -0.24 0.00 -0.52 0.00 0.00 55.73 54.88 1ujt s ARG 20 Cb -0.10 -4.00 0.03 0.00 0.52 0.00 0.00 34.95 31.41 1ujt s ARG 20 CO 0.26 -1.12 0.88 -1.17 0.02 0.00 0.00 175.30 174.17 1ujt s LEU 21 N 2.93 4.15 0.51 2.53 2.96 -1.26 -0.81 118.68 129.68 1ujt s LEU 21 Ca 0.22 -0.14 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 1ujt s LEU 21 Cb -0.15 -2.98 -0.08 0.00 0.50 0.00 0.00 46.19 43.49 1ujt s LEU 21 CO 0.17 -1.06 1.01 -1.00 -1.32 0.00 0.00 176.35 174.15 1ujt s HIS 22 N 3.64 3.18 -0.12 5.38 3.76 -0.82 -4.78 115.29 125.54 1ujt s HIS 22 Ca 0.32 1.54 -0.40 0.00 -0.15 0.00 0.00 55.06 56.37 1ujt s HIS 22 Cb -0.12 -2.93 -0.18 0.00 1.11 0.00 0.00 32.58 30.46 1ujt s HIS 22 CO 0.22 -0.62 1.43 -1.71 -0.85 0.00 0.00 174.74 173.22 1ujt n ASN 23 N -1.31 1.45 -4.56 1.40 5.15 -1.26 -4.51 115.26 111.62 1ujt n ASN 23 Ca 0.08 1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 54.90 1ujt n ASN 23 Cb 0.53 -1.08 -0.05 0.00 -0.53 0.00 0.00 39.78 38.66 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 1.59 2.56 -0.52 1.20 0.04 -1.26 -4.82 135.00 133.80 1ujt s PRO 24 Ca 0.93 -0.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 1ujt s PRO 24 Cb -1.13 -4.94 -0.12 0.00 0.04 0.00 0.00 34.50 28.35 1ujt s PRO 24 CO 0.59 -3.27 2.36 0.28 0.04 0.00 0.00 177.00 177.01 1ujt n VAL 25 N 7.76 0.07 -2.16 -0.36 0.31 -1.13 -4.77 118.33 118.06 1ujt n VAL 25 Ca 0.37 -0.38 -0.40 0.00 -0.01 0.00 0.00 64.34 63.92 1ujt n VAL 25 Cb 0.48 -1.80 -0.03 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 9.18 3.51 -0.09 2.52 0.11 -1.26 -2.59 120.40 131.79 1ujt s VAL 26 Ca 1.11 0.38 -0.24 0.00 -2.93 0.00 0.00 61.98 60.31 1ujt s VAL 26 Cb -0.71 -4.09 -0.20 0.00 -1.53 0.00 0.00 36.38 29.85 1ujt s VAL 26 CO 0.42 -0.96 0.85 -0.07 -3.33 0.00 0.00 175.10 172.00 1ujt h LEU 27 N 14.89 -0.05 -8.40 2.54 3.38 -1.89 -3.48 115.31 122.31 1ujt h LEU 27 Ca -0.28 -0.64 -0.19 0.00 0.09 0.00 0.00 57.88 56.86 1ujt h LEU 27 Cb 1.14 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 1ujt h LEU 27 CO 1.18 0.68 -0.69 0.42 0.09 0.00 0.00 178.44 180.12 1ujt s THR 28 N -2.95 0.53 -2.00 0.22 -4.23 -0.18 -5.02 115.64 102.01 1ujt s THR 28 Ca -0.15 -1.90 0.13 0.00 -1.18 0.00 0.00 61.69 58.58 1ujt s THR 28 Cb -0.01 -1.68 0.36 0.00 1.34 0.00 0.00 72.50 72.51 1ujt s THR 28 CO 0.58 -0.87 1.18 -0.81 -0.54 0.00 0.00 174.62 174.16 1ujt n PRO 29 N -0.01 0.49 0.00 3.99 -0.04 -1.26 -2.35 135.00 135.82 1ujt n PRO 29 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1ujt n PRO 29 Cb 0.61 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.90 0.00 -3.83 0.52 -2.24 -1.26 -3.78 114.28 102.79 1ujt n THR 30 Ca 0.09 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1ujt n THR 30 Cb 0.04 0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.54 -0.01 0.00 4.28 2.01 -0.99 -2.21 115.64 117.18 1ujt s THR 31 Ca 0.00 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1ujt s THR 31 Cb 0.00 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.37 1ujt s THR 31 CO 0.00 0.02 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.12 1ujt s VAL 32 N 0.28 1.10 -0.10 3.82 1.01 -1.03 -1.01 120.40 124.47 1ujt s VAL 32 Ca -0.02 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1ujt s VAL 32 Cb -0.03 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1ujt s VAL 32 CO -0.01 0.24 0.44 -1.58 0.00 0.00 0.00 175.10 174.18 1ujt s GLN 33 N -0.51 4.25 0.08 2.72 0.74 -1.07 -1.90 119.66 123.97 1ujt s GLN 33 Ca 0.05 0.39 0.05 0.00 0.05 0.00 0.00 55.36 55.90 1ujt s GLN 33 Cb -0.06 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 1ujt s GLN 33 CO -0.00 0.27 -0.04 0.08 -0.55 0.00 0.00 175.29 175.05 1ujt s VAL 34 N 0.28 3.78 -0.08 1.34 1.01 -0.88 -2.86 120.40 123.00 1ujt s VAL 34 Ca 0.24 -1.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 1ujt s VAL 34 Cb -0.15 -2.77 0.04 0.00 0.00 0.00 0.00 36.38 33.49 1ujt s VAL 34 CO 0.10 0.15 0.41 -0.89 0.00 0.00 0.00 175.10 174.87 1ujt s THR 35 N -1.24 0.03 0.14 3.92 2.01 -1.26 -2.62 115.64 116.62 1ujt s THR 35 Ca 0.23 -0.22 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 1ujt s THR 35 Cb -0.11 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.77 1ujt s THR 35 CO 0.15 -0.12 0.44 -1.66 -0.69 0.00 0.00 174.62 172.74 1ujt s TRP 36 N -0.70 -0.19 0.14 4.92 -2.14 -0.96 -1.95 118.94 118.06 1ujt s TRP 36 Ca -0.08 -0.13 0.05 0.00 2.66 0.00 0.00 56.10 58.60 1ujt s TRP 36 Cb -0.04 0.30 -0.04 0.00 -3.10 0.00 0.00 33.47 30.59 1ujt s TRP 36 CO 0.04 -0.76 -0.11 0.95 -2.66 0.00 0.00 176.95 174.41 1ujt s THR 37 N -3.82 1.20 -0.05 0.66 -4.23 0.01 -4.81 115.64 104.60 1ujt s THR 37 Ca 0.05 -1.99 -0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1ujt s THR 37 Cb 0.01 -1.77 0.03 0.00 1.34 0.00 0.00 72.50 72.10 1ujt s THR 37 CO -0.10 -0.68 -0.01 0.68 -0.54 0.00 0.00 174.62 173.97 1ujt s VAL 38 N -3.08 0.34 0.18 2.29 -7.23 -1.26 0.27 120.40 111.91 1ujt s VAL 38 Ca 0.15 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.27 1ujt s VAL 38 Cb 0.01 -0.45 0.10 0.00 0.56 0.00 0.00 36.38 36.60 1ujt s VAL 38 CO 0.01 0.22 1.78 0.44 -0.31 0.00 0.00 175.10 177.24 1ujt h ASP 39 N 7.74 0.81 -3.10 4.85 5.19 -1.95 -3.35 116.42 126.61 1ujt h ASP 39 Ca -0.30 -0.11 -0.61 0.00 -0.62 0.00 0.00 57.03 55.39 1ujt h ASP 39 Cb 1.13 -0.21 -0.40 0.00 0.18 0.00 0.00 39.33 40.03 1ujt h ASP 39 CO 0.37 0.69 -0.73 0.00 -3.12 0.00 0.00 179.24 176.45 1ujt s ARG 40 N -5.78 1.66 -0.16 3.56 1.70 -1.26 -5.04 118.95 113.62 1ujt s ARG 40 Ca -0.13 -2.56 -0.36 0.00 -0.47 0.00 0.00 55.73 52.22 1ujt s ARG 40 Cb 0.13 -2.55 -0.13 0.00 -0.57 0.00 0.00 34.95 31.84 1ujt s ARG 40 CO 0.78 -1.26 1.88 0.94 -1.08 0.00 0.00 175.30 176.56 1ujt n GLN 41 N 2.76 1.84 -2.25 3.89 7.27 -1.26 -4.74 117.38 124.88 1ujt n GLN 41 Ca 0.18 0.66 -0.41 0.00 0.07 0.00 0.00 57.00 57.51 1ujt n GLN 41 Cb 0.38 -2.50 -0.03 0.00 2.41 0.00 0.00 30.24 30.50 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 4.15 4.46 -0.16 3.69 0.04 -1.26 -4.98 135.00 140.95 1ujt s PRO 42 Ca 0.96 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 63.82 1ujt s PRO 42 Cb -0.80 -3.12 -0.23 0.00 0.04 0.00 0.00 34.50 30.39 1ujt s PRO 42 CO 0.55 -0.04 0.50 1.96 0.04 0.00 0.00 177.00 180.01 1ujt h GLN 43 N 3.64 0.04 -0.97 4.56 4.20 -1.99 -3.36 115.11 121.23 1ujt h GLN 43 Ca -0.48 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.23 1ujt h GLN 43 Cb 1.22 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.96 1ujt h GLN 43 CO 0.67 1.03 0.62 0.27 -0.67 0.00 0.00 178.83 180.75 1ujt h PHE 44 N -0.89 1.15 -0.94 2.96 -0.00 -1.94 -3.44 116.94 113.84 1ujt h PHE 44 Ca -0.20 0.03 -0.36 0.00 -0.00 0.00 0.00 57.97 57.44 1ujt h PHE 44 Cb 1.26 -0.38 0.09 0.00 -0.00 0.00 0.00 35.95 36.92 1ujt h PHE 44 CO 0.18 0.59 -0.53 1.51 -0.00 0.00 0.00 178.31 180.06 1ujt n ILE 45 N -4.53 0.44 -0.11 0.88 3.06 -1.26 -4.91 119.36 112.93 1ujt n ILE 45 Ca 0.15 -0.29 -0.15 0.00 -2.50 0.00 0.00 62.75 59.95 1ujt n ILE 45 Cb 0.18 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.25 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 0.76 0.63 0.00 9.51 1.13 -1.22 -4.96 117.38 123.24 1ujt n GLN 46 Ca 0.07 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1ujt n GLN 46 Cb 0.23 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 2.35 2.18 2.70 1.08 0.00 -1.22 -3.98 105.19 108.29 1ujt n GLY 47 Ca -0.40 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.57 -0.02 -0.79 1.61 2.02 -1.26 -3.92 117.35 113.43 1ujt s TYR 48 Ca 0.00 0.07 -0.25 0.00 -0.37 0.00 0.00 57.07 56.52 1ujt s TYR 48 Cb 0.00 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1ujt s TYR 48 CO 0.00 -0.46 1.26 0.50 -1.57 0.00 0.00 175.55 175.29 1ujt s ARG 49 N 2.22 3.26 -1.00 -0.62 6.06 -1.24 -3.21 118.95 124.43 1ujt s ARG 49 Ca 0.04 -0.53 -0.23 0.00 -2.50 0.00 0.00 55.73 52.51 1ujt s ARG 49 Cb -0.15 -4.43 0.06 0.00 0.06 0.00 0.00 34.95 30.49 1ujt s ARG 49 CO -0.09 -2.10 1.41 0.08 -2.50 0.00 0.00 175.30 172.10 1ujt s VAL 50 N 5.27 3.98 0.71 7.11 1.01 -1.15 -4.04 120.40 133.29 1ujt s VAL 50 Ca 0.35 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1ujt s VAL 50 Cb -0.08 -5.03 0.02 0.00 0.00 0.00 0.00 36.38 31.29 1ujt s VAL 50 CO 0.09 -1.90 1.08 -0.04 0.00 0.00 0.00 175.10 174.34 1ujt s MET 51 N 4.82 2.82 -0.24 2.72 -1.94 -1.19 -1.41 119.30 124.88 1ujt s MET 51 Ca 0.44 0.60 -0.30 0.00 -1.71 0.00 0.00 55.69 54.72 1ujt s MET 51 Cb -0.01 -2.01 0.17 0.00 2.01 0.00 0.00 34.83 34.99 1ujt s MET 51 CO -0.09 -1.09 1.23 1.52 -0.01 0.00 0.00 175.02 176.58 1ujt s TYR 52 N -3.25 -0.15 -0.11 -0.03 1.13 -0.86 -3.59 117.35 110.48 1ujt s TYR 52 Ca 0.58 0.25 -0.32 0.00 -1.41 0.00 0.00 57.07 56.18 1ujt s TYR 52 Cb -0.12 0.48 0.12 0.00 -1.10 0.00 0.00 41.96 41.34 1ujt s TYR 52 CO 0.53 -0.15 1.07 -0.98 -2.51 0.00 0.00 175.55 173.51 1ujt s ARG 53 N -1.14 0.53 0.56 -3.49 1.70 -1.19 -0.85 118.95 115.07 1ujt s ARG 53 Ca 0.05 -0.18 -0.17 0.00 -0.47 0.00 0.00 55.73 54.97 1ujt s ARG 53 Cb -0.01 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.56 1ujt s ARG 53 CO -0.04 -0.23 1.04 -1.14 -1.08 0.00 0.00 175.30 173.84 1ujt s GLN 54 N -2.62 3.54 -0.18 3.89 0.74 -1.26 -1.96 119.66 121.81 1ujt s GLN 54 Ca 0.07 1.17 0.01 0.00 0.05 0.00 0.00 55.36 56.66 1ujt s GLN 54 Cb -0.01 -2.07 -0.12 0.00 1.10 0.00 0.00 33.01 31.92 1ujt s GLN 54 CO -0.06 -0.63 -0.16 0.25 -0.55 0.00 0.00 175.29 174.14 1ujt n THR 55 N -1.75 1.03 -4.99 -0.34 -2.24 -1.09 -2.18 114.28 102.71 1ujt n THR 55 Ca 0.08 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1ujt n THR 55 Cb 0.53 -1.16 -0.15 0.00 -2.10 0.00 0.00 70.33 67.45 1ujt n THR 55 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ujt s SER 56 N -5.77 3.13 0.00 3.42 0.15 -1.26 -4.41 113.70 108.95 1ujt s SER 56 Ca -0.24 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1ujt s SER 56 Cb 0.06 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1ujt s SER 56 CO 0.41 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.73 1ujt n GLY 57 N 1.92 -0.19 0.07 9.45 0.00 -1.26 -4.37 105.19 110.81 1ujt n GLY 57 Ca -0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.12 -1.66 0.99 7.12 -1.99 -3.24 115.31 116.40 1ujt h LEU 58 Ca 0.00 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.10 1ujt h LEU 58 Cb 0.00 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.15 1ujt h LEU 58 CO 0.00 0.01 0.56 1.56 -0.13 0.00 0.00 178.44 180.44 1ujt h GLN 59 N -0.34 0.00 -6.10 1.25 1.08 -1.94 -3.40 115.11 105.66 1ujt h GLN 59 Ca -0.01 0.00 -0.74 0.00 -1.45 0.00 0.00 58.65 56.44 1ujt h GLN 59 Cb 0.11 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1ujt h GLN 59 CO 0.02 0.00 0.15 0.00 -0.95 0.00 0.00 178.83 178.06 1ujt n ALA 60 N -2.07 -2.68 -3.43 3.87 0.00 -1.23 0.00 120.51 114.97 1ujt n ALA 60 Ca 0.05 0.56 -0.26 0.00 0.00 0.00 0.00 53.44 53.79 1ujt n ALA 60 Cb 0.69 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1ujt n ALA 60 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ujt n THR 61 N 1.72 0.00 -0.08 0.00 5.66 -0.93 -4.74 114.28 115.90 1ujt n THR 61 Ca 0.19 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.11 1ujt n THR 61 Cb 0.13 -0.31 -0.03 0.00 -1.55 0.00 0.00 70.33 68.57 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 -1.46 1.89 -3.47 1.09 2.88 0.10 -5.00 113.62 109.65 1ujt n SER 62 Ca 0.07 0.46 -0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1ujt n SER 62 Cb 0.32 -0.80 -0.07 0.00 -0.75 0.00 0.00 64.21 62.91 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 -5.94 -0.44 0.45 -3.46 0.01 -1.25 -5.13 113.70 97.93 1ujt s SER 63 Ca -0.24 0.83 -0.24 0.00 1.31 0.00 0.00 55.95 57.61 1ujt s SER 63 Cb 0.04 1.57 -0.08 0.00 0.21 0.00 0.00 66.02 67.77 1ujt s SER 63 CO 0.35 -0.26 1.26 0.26 0.41 0.00 0.00 173.24 175.27 1ujt s TRP 64 N 2.68 2.75 0.31 2.43 0.52 -1.26 -4.87 118.94 121.50 1ujt s TRP 64 Ca 0.06 1.45 0.08 0.00 0.02 0.00 0.00 56.10 57.72 1ujt s TRP 64 Cb -0.14 -3.59 -0.04 0.00 -1.15 0.00 0.00 33.47 28.56 1ujt s TRP 64 CO -0.16 -2.01 0.11 -0.65 0.02 0.00 0.00 176.95 174.26 1ujt s GLN 65 N -2.51 2.40 -0.06 4.98 -0.21 -0.03 -4.97 119.66 119.26 1ujt s GLN 65 Ca 0.62 -1.47 -0.03 0.00 0.02 0.00 0.00 55.36 54.49 1ujt s GLN 65 Cb -0.35 -2.20 0.03 0.00 1.00 0.00 0.00 33.01 31.49 1ujt s GLN 65 CO 0.44 0.20 0.15 0.54 -2.12 0.00 0.00 175.29 174.49 1ujt s ASN 66 N -3.80 -0.12 -0.49 5.90 2.20 -1.26 -2.03 114.94 115.33 1ujt s ASN 66 Ca 0.36 0.30 0.03 0.00 -0.94 0.00 0.00 52.86 52.61 1ujt s ASN 66 Cb -0.04 0.22 0.13 0.00 -2.00 0.00 0.00 41.25 39.55 1ujt s ASN 66 CO 0.22 -0.12 0.23 -0.22 -2.94 0.00 0.00 177.10 174.27 1ujt s LEU 67 N 0.87 4.48 -0.01 3.54 2.96 -0.50 -4.95 118.68 125.08 1ujt s LEU 67 Ca -0.07 -2.83 -0.30 0.00 -0.22 0.00 0.00 54.13 50.72 1ujt s LEU 67 Cb -0.09 -1.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 1ujt s LEU 67 CO -0.04 -0.27 1.91 1.51 -1.32 0.00 0.00 176.35 178.13 1ujt s ASP 68 N 0.04 6.42 0.32 3.68 -4.77 -1.26 -2.92 116.67 118.18 1ujt s ASP 68 Ca 0.16 2.49 0.17 0.00 -3.30 0.00 0.00 52.55 52.06 1ujt s ASP 68 Cb -0.24 -2.53 0.36 0.00 -1.09 0.00 0.00 42.92 39.42 1ujt s ASP 68 CO -0.02 -1.10 1.58 0.00 0.70 0.00 0.00 175.17 176.33 1ujt h ALA 69 N 10.71 0.81 -4.38 2.11 0.00 -1.96 -3.47 119.26 123.08 1ujt h ALA 69 Ca -0.46 -0.41 -0.36 0.00 0.00 0.00 0.00 54.91 53.69 1ujt h ALA 69 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ujt h ALA 69 CO 0.95 0.56 -0.50 1.63 0.00 0.00 0.00 179.25 181.88 1ujt n LYS 70 N -3.35 -3.30 -3.16 0.00 5.02 -1.26 -4.91 118.16 107.20 1ujt n LYS 70 Ca 0.01 0.71 0.05 0.00 -2.02 0.00 0.00 58.31 57.06 1ujt n LYS 70 Cb 0.63 -5.43 -0.02 0.00 -0.02 0.00 0.00 35.03 30.19 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 -2.94 -0.25 -1.15 -0.18 0.11 -1.26 -5.02 120.40 109.72 1ujt s VAL 71 Ca 0.21 0.00 0.14 0.00 -2.93 0.00 0.00 61.98 59.40 1ujt s VAL 71 Cb -0.10 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.91 1ujt s VAL 71 CO 0.25 0.00 1.44 -0.81 -3.33 0.00 0.00 175.10 172.65 1ujt n PRO 72 N 5.40 0.07 -0.51 1.54 -0.04 -1.26 -2.50 135.00 137.70 1ujt n PRO 72 Ca -0.08 0.22 0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1ujt n PRO 72 Cb 0.54 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.74 1ujt n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujt n THR 73 N -1.43 1.57 -3.92 0.52 -2.24 -1.26 -4.78 114.28 102.74 1ujt n THR 73 Ca 0.05 -0.81 -0.28 0.00 -2.27 0.00 0.00 64.05 60.74 1ujt n THR 73 Cb 0.15 -0.34 -0.17 0.00 -2.10 0.00 0.00 70.33 67.88 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 -2.00 1.60 -0.33 -0.78 2.02 -1.04 -5.00 118.70 113.16 1ujt s GLU 74 Ca 0.32 -0.47 0.08 0.00 0.02 0.00 0.00 54.97 54.92 1ujt s GLU 74 Cb 0.24 -1.93 0.59 0.00 0.10 0.00 0.00 34.13 33.13 1ujt s GLU 74 CO 0.10 -0.37 1.65 0.54 0.02 0.00 0.00 175.26 177.20 1ujt n ARG 75 N 4.87 2.34 -3.74 1.61 5.12 -1.26 -4.93 116.66 120.66 1ujt n ARG 75 Ca -0.13 -3.09 -0.13 0.00 -1.93 0.00 0.00 57.85 52.58 1ujt n ARG 75 Cb 0.48 -1.99 -0.13 0.00 -1.16 0.00 0.00 32.46 29.67 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 -1.89 -0.24 -0.04 0.55 1.04 -1.26 -2.27 113.70 109.58 1ujt s SER 76 Ca 0.50 0.48 -0.01 0.00 0.48 0.00 0.00 55.95 57.40 1ujt s SER 76 Cb 0.43 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.96 1ujt s SER 76 CO 0.06 -0.14 0.03 0.00 0.98 0.00 0.00 173.24 174.16 1ujt s ALA 77 N 1.01 0.36 -0.03 5.32 0.00 -1.08 -4.97 121.76 122.37 1ujt s ALA 77 Ca -0.07 0.11 -0.18 0.00 0.00 0.00 0.00 51.96 51.81 1ujt s ALA 77 Cb -0.09 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 1ujt s ALA 77 CO -0.06 -0.33 0.52 0.08 0.00 0.00 0.00 175.76 175.96 1ujt s VAL 78 N 1.71 5.00 -0.29 0.00 1.01 -1.26 -2.07 120.40 124.50 1ujt s VAL 78 Ca -0.00 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.98 1ujt s VAL 78 Cb -0.13 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1ujt s VAL 78 CO -0.03 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.81 1ujt s LEU 79 N -0.25 3.76 0.35 3.92 1.43 -0.80 -4.98 118.68 122.11 1ujt s LEU 79 Ca 0.28 -0.76 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1ujt s LEU 79 Cb -0.17 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1ujt s LEU 79 CO 0.14 -0.19 0.38 0.68 0.23 0.00 0.00 176.35 177.60 1ujt s VAL 80 N 1.46 3.52 -0.74 -1.59 -7.23 -1.26 -2.46 120.40 112.10 1ujt s VAL 80 Ca 0.02 -1.23 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1ujt s VAL 80 Cb -0.17 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.55 1ujt s VAL 80 CO 0.01 -0.13 0.62 0.59 -0.31 0.00 0.00 175.10 175.88 1ujt n ASN 81 N -1.52 -2.46 -4.83 4.85 3.02 -1.12 -5.00 115.26 108.20 1ujt n ASN 81 Ca 0.00 -0.40 -0.22 0.00 -0.03 0.00 0.00 54.58 53.94 1ujt n ASN 81 Cb 0.59 -3.41 -0.04 0.00 -0.61 0.00 0.00 39.78 36.31 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 -4.70 3.71 0.37 3.41 1.43 -0.94 -5.08 118.68 116.87 1ujt s LEU 82 Ca 0.04 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 1ujt s LEU 82 Cb -0.01 -2.27 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 1ujt s LEU 82 CO 0.46 -0.16 0.82 -0.54 0.23 0.00 0.00 176.35 177.15 1ujt s LYS 83 N -3.90 4.08 0.05 1.70 -0.14 -1.26 -4.60 119.74 115.67 1ujt s LYS 83 Ca 0.36 0.84 -0.10 0.00 -1.36 0.00 0.00 55.97 55.71 1ujt s LYS 83 Cb -0.07 -2.33 -0.06 0.00 -1.68 0.00 0.00 37.83 33.69 1ujt s LYS 83 CO 0.25 0.08 0.37 0.15 -0.76 0.00 0.00 175.35 175.45 1ujt s LYS 84 N -3.08 3.74 -1.03 1.68 1.02 -1.25 -4.43 119.74 116.40 1ujt s LYS 84 Ca 0.57 0.16 -0.02 0.00 0.02 0.00 0.00 55.97 56.70 1ujt s LYS 84 Cb -0.10 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.14 1ujt s LYS 84 CO 0.16 0.60 0.87 0.41 -0.92 0.00 0.00 175.35 176.47 1ujt n GLY 85 N 1.11 -0.47 3.56 -3.33 0.00 0.14 -4.98 105.19 101.23 1ujt n GLY 85 Ca -0.10 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.33 0.00 0.34 1.61 0.11 -1.18 -4.96 120.40 112.99 1ujt s VAL 86 Ca 0.12 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.95 1ujt s VAL 86 Cb -0.02 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 1ujt s VAL 86 CO 0.65 0.00 0.88 -0.89 -3.33 0.00 0.00 175.10 172.41 1ujt s THR 87 N -0.74 4.39 -0.07 5.04 2.01 -1.26 -2.06 115.64 122.96 1ujt s THR 87 Ca -0.06 1.52 0.00 0.00 0.31 0.00 0.00 61.69 63.46 1ujt s THR 87 Cb -0.02 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1ujt s THR 87 CO 0.05 -0.03 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.59 1ujt s TYR 88 N -1.82 0.98 -0.42 4.92 2.02 -0.23 -2.67 117.35 120.13 1ujt s TYR 88 Ca 0.53 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.70 1ujt s TYR 88 Cb -0.14 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1ujt s TYR 88 CO 0.19 -0.30 0.48 -2.00 -1.57 0.00 0.00 175.55 172.35 1ujt s GLU 89 N 1.30 3.15 0.03 -0.62 2.12 -0.83 -0.68 118.70 123.18 1ujt s GLU 89 Ca -0.04 -0.66 0.09 0.00 0.36 0.00 0.00 54.97 54.71 1ujt s GLU 89 Cb -0.14 -3.96 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 1ujt s GLU 89 CO -0.02 -0.88 -0.25 0.42 -0.54 0.00 0.00 175.26 173.99 1ujt s ILE 90 N 2.28 2.24 0.08 -3.70 1.09 -1.04 -3.19 121.20 118.97 1ujt s ILE 90 Ca 0.14 -1.31 -0.03 0.00 -1.10 0.00 0.00 60.65 58.35 1ujt s ILE 90 Cb -0.16 -1.87 -0.03 0.00 -1.06 0.00 0.00 42.46 39.34 1ujt s ILE 90 CO 0.15 0.40 0.06 -1.59 -0.10 0.00 0.00 174.94 173.86 1ujt s LYS 91 N -1.17 0.77 -0.01 2.79 0.00 -1.24 -2.42 119.74 118.47 1ujt s LYS 91 Ca 0.12 -1.20 0.08 0.00 0.00 0.00 0.00 55.97 54.96 1ujt s LYS 91 Cb -0.10 0.26 -0.02 0.00 0.00 0.00 0.00 37.83 37.97 1ujt s LYS 91 CO 0.02 -0.20 -0.25 0.08 0.00 0.00 0.00 175.35 175.00 1ujt s VAL 92 N -3.94 1.95 -0.12 1.79 1.01 -1.26 -3.19 120.40 116.64 1ujt s VAL 92 Ca 0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1ujt s VAL 92 Cb 0.07 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1ujt s VAL 92 CO -0.07 0.51 0.24 -0.13 0.00 0.00 0.00 175.10 175.65 1ujt s ARG 93 N -0.67 0.13 -0.27 2.72 0.52 -1.26 -2.41 118.95 117.71 1ujt s ARG 93 Ca 0.10 0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 55.70 1ujt s ARG 93 Cb -0.09 -0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 1ujt s ARG 93 CO -0.01 -0.28 1.64 -1.25 0.02 0.00 0.00 175.30 175.43 1ujt s PRO 94 N 2.28 3.66 -0.01 3.54 0.04 -1.26 -3.65 135.00 139.60 1ujt s PRO 94 Ca 0.01 1.53 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1ujt s PRO 94 Cb -0.12 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 1ujt s PRO 94 CO -0.08 -1.46 -0.19 1.52 0.04 0.00 0.00 177.00 176.83 1ujt s TYR 95 N 5.65 2.55 0.00 0.56 -0.85 -1.25 -0.66 117.35 123.34 1ujt s TYR 95 Ca 0.73 -0.27 0.00 0.00 -0.52 0.00 0.00 57.07 57.01 1ujt s TYR 95 Cb -0.23 -1.53 0.00 0.00 0.38 0.00 0.00 41.96 40.58 1ujt s TYR 95 CO 0.31 0.15 0.00 0.34 -1.52 0.00 0.00 175.55 174.83 1ujt n PHE 96 N 2.06 0.00 -0.01 -3.49 7.35 -1.24 -3.39 117.46 118.75 1ujt n PHE 96 Ca -0.17 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.51 1ujt n PHE 96 Cb 0.52 -0.02 -0.01 0.00 0.35 0.00 0.00 39.48 40.32 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 -2.30 0.64 0.00 -2.13 4.13 -1.26 -4.25 115.26 110.10 1ujt n ASN 97 Ca 0.00 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1ujt n ASN 97 Cb 0.00 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 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 -3.12 0.65 -1.14 3.52 0.28 -1.26 -5.09 120.64 114.48 1ujt n GLU 98 Ca -0.03 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.66 1ujt n GLU 98 Cb 0.10 -0.77 0.11 0.00 1.43 0.00 0.00 31.44 32.32 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 -1.54 2.36 0.02 -1.84 -0.71 -1.26 -5.06 117.98 109.95 1ujt s PHE 99 Ca 0.00 1.57 0.06 0.00 -1.04 0.00 0.00 56.93 57.51 1ujt s PHE 99 Cb 0.00 -3.11 -0.02 0.00 -1.21 0.00 0.00 43.02 38.68 1ujt s PHE 99 CO 0.00 -2.07 -0.17 1.14 -1.34 0.00 0.00 175.22 172.78 1ujt s GLN 100 N -4.85 1.20 0.77 1.99 -2.07 -1.26 -3.64 119.66 111.79 1ujt s GLN 100 Ca 0.62 -0.73 -0.12 0.00 -1.82 0.00 0.00 55.36 53.31 1ujt s GLN 100 Cb -0.18 -1.21 0.05 0.00 -1.09 0.00 0.00 33.01 30.58 1ujt s GLN 100 CO 0.57 0.32 1.12 0.20 -1.32 0.00 0.00 175.29 176.18 1ujt s GLY 101 N -0.85 1.61 0.66 2.60 0.00 0.16 -4.97 107.32 106.53 1ujt s GLY 101 Ca 0.05 -0.42 -0.17 0.00 0.00 0.00 0.00 44.72 44.18 1ujt s GLY 101 CO 0.01 0.01 -0.37 1.15 0.00 0.00 0.00 173.10 173.90 1ujt n MET 102 N -3.24 0.00 -2.88 2.90 0.00 -1.26 -4.54 117.12 108.10 1ujt n MET 102 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.36 1ujt n MET 102 Cb 0.58 -0.95 -0.04 0.00 0.00 0.00 0.00 33.22 32.81 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 -0.95 6.98 1.14 3.17 1.47 -1.26 -4.61 116.67 122.60 1ujt s ASP 103 Ca 0.48 1.20 -0.16 0.00 1.18 0.00 0.00 52.55 55.25 1ujt s ASP 103 Cb -0.36 -2.46 0.26 0.00 -0.34 0.00 0.00 42.92 40.02 1ujt s ASP 103 CO 0.69 -0.40 1.09 -0.44 0.68 0.00 0.00 175.17 176.79 1ujt s SER 104 N 1.15 1.42 -0.63 2.11 0.01 -1.01 -4.85 113.70 111.89 1ujt s SER 104 Ca 0.39 0.91 -0.26 0.00 1.31 0.00 0.00 55.95 58.30 1ujt s SER 104 Cb -0.17 -1.36 -0.06 0.00 0.21 0.00 0.00 66.02 64.65 1ujt s SER 104 CO 0.13 -3.85 2.14 -1.61 0.41 0.00 0.00 173.24 170.46 1ujt s GLU 105 N -5.15 2.30 -0.11 12.44 2.02 -1.26 -4.76 118.70 124.18 1ujt s GLU 105 Ca 0.68 0.75 -0.31 0.00 0.02 0.00 0.00 54.97 56.12 1ujt s GLU 105 Cb -0.14 -4.60 -0.09 0.00 0.10 0.00 0.00 34.13 29.40 1ujt s GLU 105 CO 0.57 -3.24 2.06 -1.13 0.02 0.00 0.00 175.26 173.54 1ujt n SER 106 N 14.81 3.54 -4.73 -0.19 3.41 -1.26 -4.66 113.62 124.54 1ujt n SER 106 Ca 0.32 0.65 -0.35 0.00 -0.26 0.00 0.00 58.87 59.23 1ujt n SER 106 Cb 0.51 -1.48 -0.09 0.00 -0.26 0.00 0.00 64.21 62.90 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 5.15 3.23 -0.18 4.33 -0.14 -1.01 -4.93 119.74 126.18 1ujt s LYS 107 Ca 0.96 -0.33 -0.13 0.00 -1.36 0.00 0.00 55.97 55.10 1ujt s LYS 107 Cb -0.50 -2.95 -0.05 0.00 -1.68 0.00 0.00 37.83 32.66 1ujt s LYS 107 CO 0.43 0.67 0.28 0.95 -0.76 0.00 0.00 175.35 176.91 1ujt s THR 108 N -0.75 5.31 -0.30 2.17 -4.23 -1.26 -2.49 115.64 114.09 1ujt s THR 108 Ca 0.12 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.09 1ujt s THR 108 Cb -0.12 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1ujt s THR 108 CO 0.03 0.37 0.03 0.54 -0.54 0.00 0.00 174.62 175.04 1ujt s VAL 109 N 0.66 3.37 -0.53 2.29 0.11 0.15 -4.87 120.40 121.58 1ujt s VAL 109 Ca 0.15 -1.09 -0.21 0.00 -2.93 0.00 0.00 61.98 57.90 1ujt s VAL 109 Cb -0.13 -2.83 0.05 0.00 -1.53 0.00 0.00 36.38 31.94 1ujt s VAL 109 CO 0.04 -0.01 0.78 -0.60 -3.33 0.00 0.00 175.10 171.97 1ujt s ARG 110 N 1.36 3.22 -0.49 1.54 3.52 -1.26 -1.07 118.95 125.77 1ujt s ARG 110 Ca -0.01 -0.60 -0.28 0.00 -0.13 0.00 0.00 55.73 54.71 1ujt s ARG 110 Cb -0.18 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.13 1ujt s ARG 110 CO -0.00 -1.35 1.53 0.95 -0.81 0.00 0.00 175.30 175.62 1ujt s THR 111 N 3.26 3.71 1.08 4.11 -4.23 -0.87 -4.91 115.64 117.79 1ujt s THR 111 Ca 0.22 0.64 -0.22 0.00 -1.18 0.00 0.00 61.69 61.16 1ujt s THR 111 Cb -0.16 -4.19 0.01 0.00 1.34 0.00 0.00 72.50 69.50 1ujt s THR 111 CO 0.15 -0.91 -0.52 1.07 -0.54 0.00 0.00 174.62 173.87 1ujt n THR 112 N 7.05 0.00 0.00 3.99 5.66 -1.26 0.24 114.28 129.97 1ujt n THR 112 Ca 0.16 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1ujt n THR 112 Cb 0.49 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.86 1ujt n THR 112 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1ujt n GLU 113 N -0.59 2.32 -3.85 1.09 0.28 -1.26 -2.90 120.64 115.73 1ujt n GLU 113 Ca -0.00 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.64 1ujt n GLU 113 Cb 0.67 -0.82 -0.10 0.00 1.43 0.00 0.00 31.44 32.63 1ujt n GLU 113 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1ujt s GLU 114 N -1.63 4.02 0.07 3.44 2.12 -1.26 -4.99 118.70 120.47 1ujt s GLU 114 Ca 0.00 -0.31 -0.03 0.00 0.36 0.00 0.00 54.97 54.99 1ujt s GLU 114 Cb 0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 1ujt s GLU 114 CO 0.00 0.20 0.27 0.45 -0.54 0.00 0.00 175.26 175.64 1ujt s SER 115 N 0.62 6.42 0.00 -1.70 0.15 -1.26 -4.98 113.70 112.95 1ujt s SER 115 Ca 0.05 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1ujt s SER 115 Cb -0.13 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1ujt s SER 115 CO 0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1ujt n GLY 116 N 0.41 -1.11 3.59 9.45 0.00 -1.26 -5.10 105.19 111.17 1ujt n GLY 116 Ca -0.06 0.69 -0.42 0.00 0.00 0.00 0.00 46.02 46.23 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 1.43 3.28 -0.09 1.61 0.04 -1.26 -4.94 135.00 135.07 1ujt s PRO 117 Ca 0.00 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 1ujt s PRO 117 Cb 0.00 -4.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1ujt s PRO 117 CO 0.00 -1.93 1.81 -1.54 0.04 0.00 0.00 177.00 175.38 1ujt s SER 118 N 5.93 6.38 0.88 6.66 1.04 -1.26 -4.95 113.70 128.37 1ujt s SER 118 Ca 0.74 2.18 -0.13 0.00 0.48 0.00 0.00 55.95 59.22 1ujt s SER 118 Cb -0.19 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.47 1ujt s SER 118 CO 0.31 -1.17 0.82 -1.54 0.98 0.00 0.00 173.24 172.64 1ujt n SER 119 N 8.14 -0.54 0.00 7.02 3.41 -1.26 -5.33 113.62 125.06 1ujt n SER 119 Ca 0.20 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1ujt n SER 119 Cb 0.43 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49