#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 6.48 -1.27 1.61 0.01 -1.26 -5.02 113.70 114.25 1ujt s SER 2 Ca 0.00 0.58 -0.18 0.00 1.31 0.00 0.00 55.95 57.65 1ujt s SER 2 Cb 0.00 -2.12 0.07 0.00 0.21 0.00 0.00 66.02 64.19 1ujt s SER 2 CO 0.00 0.37 1.71 -0.44 0.41 0.00 0.00 173.24 175.29 1ujt s SER 3 N -0.94 6.82 0.00 2.44 0.01 -1.26 -4.70 113.70 116.07 1ujt s SER 3 Ca 0.17 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 55.05 1ujt s SER 3 Cb -0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1ujt s SER 3 CO 0.06 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1ujt n GLY 4 N 5.49 -0.54 3.60 3.44 0.00 -1.26 -5.10 105.19 110.83 1ujt n GLY 4 Ca 0.47 0.24 -0.43 0.00 0.00 0.00 0.00 46.02 46.31 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 -4.00 6.37 1.00 1.61 0.01 -1.26 -4.99 113.70 112.44 1ujt s SER 5 Ca 0.00 0.86 -0.12 0.00 1.31 0.00 0.00 55.95 58.01 1ujt s SER 5 Cb 0.00 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.85 1ujt s SER 5 CO 0.00 -1.39 0.89 -0.24 0.41 0.00 0.00 173.24 172.91 1ujt n SER 6 N 8.68 -0.80 -2.84 2.44 2.88 -1.26 -4.43 113.62 118.28 1ujt n SER 6 Ca 0.16 0.23 -0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1ujt n SER 6 Cb 0.48 -1.34 -0.00 0.00 -0.75 0.00 0.00 64.21 62.60 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 0.81 -3.19 0.16 0.46 0.00 -1.26 -4.99 105.19 97.17 1ujt n GLY 7 Ca 0.08 0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 0.88 0.48 0.19 1.61 5.12 -1.26 -4.48 116.66 119.20 1ujt n ARG 8 Ca -0.00 0.13 0.14 0.00 -1.93 0.00 0.00 57.85 56.19 1ujt n ARG 8 Cb 0.14 -1.36 0.42 0.00 -1.16 0.00 0.00 32.46 30.50 1ujt n ARG 8 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 1ujt h GLN 9 N -0.18 0.00 -0.15 5.56 5.75 -1.97 -3.36 115.11 120.76 1ujt h GLN 9 Ca -0.46 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.05 1ujt h GLN 9 Cb 1.63 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.16 1ujt h GLN 9 CO -0.13 0.00 -0.09 0.28 -2.65 0.00 0.00 178.83 176.24 1ujt h VAL 10 N 0.00 0.00 -0.19 2.39 2.07 -1.97 0.71 116.25 119.26 1ujt h VAL 10 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1ujt h VAL 10 Cb 0.69 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1ujt h VAL 10 CO 0.00 0.00 0.13 0.00 0.02 0.00 0.00 177.57 177.72 1ujt n GLN 11 N -3.33 1.26 0.00 1.57 6.02 -1.26 -2.25 117.38 119.40 1ujt n GLN 11 Ca 0.00 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.40 1ujt n GLN 11 Cb 0.04 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 0.17 1.59 -0.09 -1.09 3.00 0.20 -4.87 118.16 117.08 1ujt n LYS 12 Ca 0.12 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 1ujt n LYS 12 Cb 0.72 -0.88 -0.09 0.00 0.00 0.00 0.00 35.03 34.79 1ujt n LYS 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ujt n GLU 13 N -1.94 0.48 -0.02 1.64 4.07 0.12 -4.18 120.64 120.81 1ujt n GLU 13 Ca 0.00 0.11 -0.01 0.00 -0.06 0.00 0.00 57.16 57.20 1ujt n GLU 13 Cb 0.38 -1.37 -0.00 0.00 -0.06 0.00 0.00 31.44 30.39 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 -3.03 -0.05 -0.05 4.31 7.94 -0.95 -0.84 117.00 124.32 1ujt n LEU 14 Ca -0.33 0.77 -0.12 0.00 -1.11 0.00 0.00 56.01 55.22 1ujt n LEU 14 Cb 0.85 -0.35 -0.06 0.00 0.53 0.00 0.00 43.42 44.39 1ujt n LEU 14 CO 0.19 -0.41 0.76 1.23 -1.11 0.00 0.00 177.39 178.05 1ujt h GLY 15 N 0.00 0.30 0.00 -3.96 0.00 -1.84 -3.33 103.07 94.24 1ujt h GLY 15 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ujt h GLY 15 CO -0.04 0.20 0.00 1.34 0.00 0.00 0.00 176.54 178.03 1ujt n ASP 16 N -4.76 0.00 -4.38 0.19 -0.08 -0.42 -4.55 116.55 102.55 1ujt n ASP 16 Ca -0.05 0.77 -0.42 0.00 -1.51 0.00 0.00 54.79 53.58 1ujt n ASP 16 Cb 0.20 -0.27 0.00 0.00 2.34 0.00 0.00 41.12 43.39 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 -2.03 1.25 -5.27 5.18 3.14 -0.02 -4.97 118.33 115.60 1ujt n VAL 17 Ca 0.00 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.57 1ujt n VAL 17 Cb 0.00 -0.25 -0.16 0.00 -1.06 0.00 0.00 33.84 32.37 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 3.06 2.06 -0.16 6.55 2.96 -1.26 -4.89 118.68 126.99 1ujt s LEU 18 Ca 0.61 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1ujt s LEU 18 Cb -0.64 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1ujt s LEU 18 CO 0.60 0.27 0.03 -0.69 -1.32 0.00 0.00 176.35 175.25 1ujt s VAL 19 N -0.34 4.55 -0.31 1.68 1.01 -1.26 -2.84 120.40 122.89 1ujt s VAL 19 Ca 0.02 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1ujt s VAL 19 Cb -0.12 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1ujt s VAL 19 CO 0.02 0.49 0.12 -0.13 0.00 0.00 0.00 175.10 175.60 1ujt s ARG 20 N 0.16 3.13 -0.46 2.72 0.52 0.62 -4.60 118.95 121.04 1ujt s ARG 20 Ca 0.03 -0.85 -0.19 0.00 -0.52 0.00 0.00 55.73 54.20 1ujt s ARG 20 Cb -0.13 -3.48 0.04 0.00 0.52 0.00 0.00 34.95 31.90 1ujt s ARG 20 CO 0.01 -0.47 0.56 -1.17 0.02 0.00 0.00 175.30 174.25 1ujt s LEU 21 N 1.54 4.83 0.46 2.53 2.96 -1.26 -1.73 118.68 128.01 1ujt s LEU 21 Ca 0.03 -0.69 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 1ujt s LEU 21 Cb -0.17 -2.49 -0.10 0.00 0.50 0.00 0.00 46.19 43.92 1ujt s LEU 21 CO 0.04 -0.75 0.99 -1.00 -1.32 0.00 0.00 176.35 174.31 1ujt s HIS 22 N 2.48 3.20 -0.44 5.38 3.76 -1.10 -4.91 115.29 123.67 1ujt s HIS 22 Ca 0.16 1.59 -0.46 0.00 -0.15 0.00 0.00 55.06 56.20 1ujt s HIS 22 Cb -0.17 -2.93 -0.20 0.00 1.11 0.00 0.00 32.58 30.39 1ujt s HIS 22 CO 0.14 -0.41 1.57 0.09 -0.85 0.00 0.00 174.74 175.29 1ujt n ASN 23 N -0.84 1.24 -4.57 1.40 3.02 -1.26 -4.59 115.26 109.67 1ujt n ASN 23 Ca 0.08 1.18 -0.27 0.00 -0.03 0.00 0.00 54.58 55.53 1ujt n ASN 23 Cb 0.53 -0.91 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 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 2.82 2.54 -0.37 3.52 0.04 -1.26 -4.88 135.00 137.40 1ujt s PRO 24 Ca 1.03 -0.58 -0.41 0.00 0.04 0.00 0.00 61.00 61.08 1ujt s PRO 24 Cb -1.43 -5.12 -0.16 0.00 0.04 0.00 0.00 34.50 27.82 1ujt s PRO 24 CO 0.78 -3.58 1.89 0.28 0.04 0.00 0.00 177.00 176.41 1ujt n VAL 25 N 7.85 0.18 -2.42 -0.36 0.31 -1.22 -4.70 118.33 117.97 1ujt n VAL 25 Ca 0.42 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 64.27 1ujt n VAL 25 Cb 0.47 -1.07 -0.01 0.00 -0.91 0.00 0.00 33.84 32.31 1ujt n VAL 25 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1ujt n VAL 26 N 5.40 3.51 -0.20 2.52 3.14 -1.26 -2.21 118.33 129.22 1ujt n VAL 26 Ca 0.35 -3.62 0.01 0.00 -2.96 0.00 0.00 64.34 58.13 1ujt n VAL 26 Cb 0.09 -2.33 0.11 0.00 -1.06 0.00 0.00 33.84 30.66 1ujt n VAL 26 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1ujt h LEU 27 N 13.46 -0.02 -7.79 6.55 3.38 -1.87 -3.44 115.31 125.58 1ujt h LEU 27 Ca 0.41 0.12 -0.08 0.00 0.09 0.00 0.00 57.88 58.42 1ujt h LEU 27 Cb 0.87 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 1ujt h LEU 27 CO 1.44 -0.00 -0.36 0.42 0.09 0.00 0.00 178.44 180.03 1ujt s THR 28 N -6.11 0.14 -2.00 0.22 -4.23 -0.21 -5.01 115.64 98.44 1ujt s THR 28 Ca -0.13 -1.15 0.14 0.00 -1.18 0.00 0.00 61.69 59.38 1ujt s THR 28 Cb 0.18 -1.33 0.40 0.00 1.34 0.00 0.00 72.50 73.10 1ujt s THR 28 CO 0.74 -0.63 1.27 -0.81 -0.54 0.00 0.00 174.62 174.65 1ujt n PRO 29 N -0.06 0.49 0.00 3.99 -0.04 -1.26 -2.14 135.00 135.98 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 0.62 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.96 0.00 -3.73 0.52 -2.24 -1.26 -3.25 114.28 103.36 1ujt n THR 30 Ca 0.11 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1ujt n THR 30 Cb 0.05 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.97 -0.01 -0.02 4.28 2.01 -0.91 -2.06 115.64 117.96 1ujt s THR 31 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 1ujt s THR 31 Cb 0.00 -0.54 -0.01 0.00 0.01 0.00 0.00 72.50 71.96 1ujt s THR 31 CO 0.00 0.01 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.09 1ujt s VAL 32 N 0.58 1.29 0.01 3.82 1.01 -1.06 -1.04 120.40 125.02 1ujt s VAL 32 Ca -0.03 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.03 1ujt s VAL 32 Cb -0.05 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1ujt s VAL 32 CO -0.04 0.37 0.70 -1.58 0.00 0.00 0.00 175.10 174.56 1ujt s GLN 33 N -0.26 4.43 -0.11 2.72 0.74 -0.94 -2.23 119.66 124.02 1ujt s GLN 33 Ca 0.04 0.93 0.01 0.00 0.05 0.00 0.00 55.36 56.39 1ujt s GLN 33 Cb -0.08 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 1ujt s GLN 33 CO 0.00 0.28 -0.15 0.08 -0.55 0.00 0.00 175.29 174.95 1ujt s VAL 34 N 0.02 2.87 0.02 1.34 1.01 0.21 -3.39 120.40 122.48 1ujt s VAL 34 Ca 0.36 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1ujt s VAL 34 Cb -0.19 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1ujt s VAL 34 CO 0.20 0.54 -0.05 -0.89 0.00 0.00 0.00 175.10 174.91 1ujt s THR 35 N 0.10 0.32 0.24 3.92 2.01 -1.26 -0.55 115.64 120.43 1ujt s THR 35 Ca -0.07 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 1ujt s THR 35 Cb -0.15 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1ujt s THR 35 CO 0.05 -0.32 0.54 -1.66 -0.69 0.00 0.00 174.62 172.55 1ujt s TRP 36 N -1.10 0.14 -0.01 4.92 -2.14 -0.65 -2.69 118.94 117.41 1ujt s TRP 36 Ca -0.09 -0.52 -0.12 0.00 2.66 0.00 0.00 56.10 58.03 1ujt s TRP 36 Cb -0.08 0.35 0.01 0.00 -3.10 0.00 0.00 33.47 30.66 1ujt s TRP 36 CO -0.00 -1.04 0.23 -0.08 -2.66 0.00 0.00 176.95 173.41 1ujt s THR 37 N -3.97 0.07 0.02 0.66 -1.32 -0.70 -4.74 115.64 105.66 1ujt s THR 37 Ca 0.17 -0.57 0.09 0.00 -1.21 0.00 0.00 61.69 60.17 1ujt s THR 37 Cb -0.02 -0.53 -0.03 0.00 -1.51 0.00 0.00 72.50 70.41 1ujt s THR 37 CO 0.06 -0.31 -0.26 0.68 -2.21 0.00 0.00 174.62 172.58 1ujt s VAL 38 N -1.35 2.09 -0.00 5.08 -7.23 -1.26 -0.28 120.40 117.45 1ujt s VAL 38 Ca -0.14 -1.27 -0.24 0.00 -1.81 0.00 0.00 61.98 58.51 1ujt s VAL 38 Cb -0.06 -1.76 -0.16 0.00 0.56 0.00 0.00 36.38 34.95 1ujt s VAL 38 CO 0.03 0.44 1.17 -0.78 -0.31 0.00 0.00 175.10 175.66 1ujt h ASP 39 N 5.07 -0.32 -4.27 4.85 1.82 -1.92 -3.39 116.42 118.25 1ujt h ASP 39 Ca -0.45 -0.20 -0.66 0.00 -0.39 0.00 0.00 57.03 55.33 1ujt h ASP 39 Cb 1.13 0.08 -0.39 0.00 0.68 0.00 0.00 39.33 40.84 1ujt h ASP 39 CO 0.45 0.08 -0.55 -0.13 -1.61 0.00 0.00 179.24 177.48 1ujt s ARG 40 N -4.45 2.15 -0.49 0.28 0.52 -1.26 -5.05 118.95 110.64 1ujt s ARG 40 Ca -0.14 -2.57 -0.37 0.00 -0.52 0.00 0.00 55.73 52.14 1ujt s ARG 40 Cb 0.02 -3.45 -0.15 0.00 0.52 0.00 0.00 34.95 31.89 1ujt s ARG 40 CO 0.53 -1.12 2.26 0.94 0.02 0.00 0.00 175.30 177.93 1ujt n GLN 41 N 3.27 0.61 -2.25 3.54 7.27 -1.26 -4.87 117.38 123.69 1ujt n GLN 41 Ca 0.06 0.14 -0.41 0.00 0.07 0.00 0.00 57.00 56.87 1ujt n GLN 41 Cb 0.34 -2.12 -0.03 0.00 2.41 0.00 0.00 30.24 30.84 1ujt n GLN 41 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1ujt s PRO 42 N 6.68 4.45 -0.16 3.69 0.04 -1.26 -4.98 135.00 143.46 1ujt s PRO 42 Ca 1.15 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 64.00 1ujt s PRO 42 Cb -1.05 -3.14 -0.22 0.00 0.04 0.00 0.00 34.50 30.13 1ujt s PRO 42 CO 0.52 -0.08 0.53 1.96 0.04 0.00 0.00 177.00 179.97 1ujt h GLN 43 N 3.98 0.00 -0.94 4.56 4.20 -2.01 -3.34 115.11 121.56 1ujt h GLN 43 Ca -0.47 0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.46 1ujt h GLN 43 Cb 1.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.93 1ujt h GLN 43 CO 0.69 0.96 0.62 0.27 -0.67 0.00 0.00 178.83 180.70 1ujt h PHE 44 N -1.00 0.52 -1.93 2.96 -0.00 -1.98 -3.43 116.94 112.09 1ujt h PHE 44 Ca -0.13 0.02 -0.62 0.00 -0.00 0.00 0.00 57.97 57.24 1ujt h PHE 44 Cb 1.08 -0.16 0.15 0.00 -0.00 0.00 0.00 35.95 37.02 1ujt h PHE 44 CO 0.20 0.12 -0.68 1.51 -0.00 0.00 0.00 178.31 179.45 1ujt n ILE 45 N -4.51 1.23 -0.06 0.88 3.06 -1.25 -4.84 119.36 113.87 1ujt n ILE 45 Ca 0.21 -0.50 -0.05 0.00 -2.50 0.00 0.00 62.75 59.91 1ujt n ILE 45 Cb 0.76 -0.24 -0.10 0.00 0.54 0.00 0.00 39.64 40.61 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 0.98 1.83 0.00 9.51 1.13 -0.78 -4.94 117.38 125.10 1ujt n GLN 46 Ca 0.12 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1ujt n GLN 46 Cb 0.39 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.42 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 2.19 0.66 3.64 1.08 0.00 -1.17 -3.57 105.19 108.01 1ujt n GLY 47 Ca -0.19 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 1.80 -0.81 -0.37 1.61 2.02 -1.26 -3.94 117.35 116.39 1ujt s TYR 48 Ca 0.00 1.78 -0.06 0.00 -0.37 0.00 0.00 57.07 58.41 1ujt s TYR 48 Cb 0.00 0.43 0.07 0.00 -0.40 0.00 0.00 41.96 42.06 1ujt s TYR 48 CO 0.00 -0.40 0.16 0.50 -1.57 0.00 0.00 175.55 174.24 1ujt s ARG 49 N 0.95 2.49 -0.39 -0.62 3.52 -1.24 -2.82 118.95 120.84 1ujt s ARG 49 Ca -0.04 -1.39 -0.24 0.00 -0.13 0.00 0.00 55.73 53.92 1ujt s ARG 49 Cb -0.05 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1ujt s ARG 49 CO -0.10 -0.83 0.83 0.08 -0.81 0.00 0.00 175.30 174.47 1ujt s VAL 50 N 1.35 4.66 -0.19 7.11 1.01 -1.20 -4.17 120.40 128.98 1ujt s VAL 50 Ca 0.01 0.88 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 1ujt s VAL 50 Cb -0.21 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.85 1ujt s VAL 50 CO 0.01 -0.53 0.14 -0.04 0.00 0.00 0.00 175.10 174.68 1ujt s MET 51 N 3.27 4.08 0.02 2.72 -1.94 -1.18 -0.30 119.30 125.97 1ujt s MET 51 Ca 0.33 -0.19 -0.10 0.00 -1.71 0.00 0.00 55.69 54.02 1ujt s MET 51 Cb -0.12 -3.38 0.01 0.00 2.01 0.00 0.00 34.83 33.34 1ujt s MET 51 CO 0.19 0.37 0.20 1.52 -0.01 0.00 0.00 175.02 177.29 1ujt s TYR 52 N 0.15 -0.00 0.09 -0.03 1.13 -1.18 -2.51 117.35 115.00 1ujt s TYR 52 Ca 0.10 -0.11 -0.26 0.00 -1.41 0.00 0.00 57.07 55.38 1ujt s TYR 52 Cb -0.11 -0.01 0.08 0.00 -1.10 0.00 0.00 41.96 40.82 1ujt s TYR 52 CO -0.01 -0.37 0.92 -0.98 -2.51 0.00 0.00 175.55 172.60 1ujt s ARG 53 N -1.90 1.05 0.44 -3.49 1.70 -1.17 -1.93 118.95 113.66 1ujt s ARG 53 Ca -0.10 -0.51 -0.21 0.00 -0.47 0.00 0.00 55.73 54.43 1ujt s ARG 53 Cb -0.04 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.65 1ujt s ARG 53 CO -0.00 -0.47 1.01 -1.14 -1.08 0.00 0.00 175.30 173.61 1ujt s GLN 54 N -3.24 4.04 -0.26 3.89 0.74 -1.26 -2.88 119.66 120.68 1ujt s GLN 54 Ca 0.09 1.31 -0.00 0.00 0.05 0.00 0.00 55.36 56.81 1ujt s GLN 54 Cb -0.01 -2.24 -0.16 0.00 1.10 0.00 0.00 33.01 31.70 1ujt s GLN 54 CO -0.03 -0.22 -0.25 0.25 -0.55 0.00 0.00 175.29 174.50 1ujt n THR 55 N -0.63 1.50 -4.53 -0.34 -2.24 -0.95 -2.16 114.28 104.93 1ujt n THR 55 Ca 0.07 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 1ujt n THR 55 Cb 0.52 -1.48 -0.15 0.00 -2.10 0.00 0.00 70.33 67.12 1ujt n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ujt s SER 56 N -6.65 1.41 0.00 3.42 0.01 -1.26 -4.22 113.70 106.41 1ujt s SER 56 Ca -0.36 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1ujt s SER 56 Cb 0.10 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1ujt s SER 56 CO 0.59 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.99 1ujt n GLY 57 N 2.81 0.40 0.08 3.44 0.00 -1.26 -4.66 105.19 106.00 1ujt n GLY 57 Ca -0.14 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 43.98 1ujt n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ujt h LEU 58 N 0.00 0.00 -0.82 0.99 7.12 -2.00 -3.31 115.31 117.30 1ujt h LEU 58 Ca 0.00 -0.79 0.00 0.00 0.13 0.00 0.00 57.88 57.22 1ujt h LEU 58 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ujt h LEU 58 CO 0.00 1.09 0.00 0.00 -0.13 0.00 0.00 178.44 179.40 1ujt n GLN 59 N -4.58 1.28 -1.83 1.25 6.02 -1.26 -4.86 117.38 113.40 1ujt n GLN 59 Ca -0.15 -0.27 -0.39 0.00 -0.01 0.00 0.00 57.00 56.18 1ujt n GLN 59 Cb 0.50 -1.35 0.03 0.00 1.02 0.00 0.00 30.24 30.43 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 -1.48 3.02 -0.08 -1.58 0.00 -1.25 -2.27 121.76 118.12 1ujt s ALA 60 Ca 0.05 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.36 1ujt s ALA 60 Cb 0.03 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1ujt s ALA 60 CO 0.02 -1.24 0.03 -2.37 0.00 0.00 0.00 175.76 172.20 1ujt n THR 61 N -0.60 0.00 -2.77 0.00 5.66 -0.92 -4.85 114.28 110.80 1ujt n THR 61 Ca 0.08 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.85 1ujt n THR 61 Cb 0.44 -0.02 0.10 0.00 -1.55 0.00 0.00 70.33 69.29 1ujt n THR 61 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1ujt s SER 62 N -1.81 4.52 -0.41 1.09 0.15 -0.96 -4.94 113.70 111.34 1ujt s SER 62 Ca 0.04 -0.62 -0.37 0.00 0.70 0.00 0.00 55.95 55.69 1ujt s SER 62 Cb -0.02 0.25 -0.16 0.00 -1.71 0.00 0.00 66.02 64.37 1ujt s SER 62 CO 0.05 -1.75 1.55 -1.20 1.20 0.00 0.00 173.24 173.08 1ujt n SER 63 N -2.66 0.80 -4.23 5.45 7.64 -1.26 -4.86 113.62 114.49 1ujt n SER 63 Ca 0.16 0.76 -0.29 0.00 1.01 0.00 0.00 58.87 60.52 1ujt n SER 63 Cb 0.61 -0.73 0.27 0.00 -1.01 0.00 0.00 64.21 63.35 1ujt n SER 63 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ujt s TRP 64 N 3.75 0.85 0.37 1.43 0.52 -1.26 -4.98 118.94 119.63 1ujt s TRP 64 Ca 0.93 1.01 0.04 0.00 0.02 0.00 0.00 56.10 58.10 1ujt s TRP 64 Cb -1.23 -3.03 -0.06 0.00 -1.15 0.00 0.00 33.47 27.99 1ujt s TRP 64 CO 0.61 -4.23 0.05 -0.65 0.02 0.00 0.00 176.95 172.74 1ujt s GLN 65 N -4.58 1.81 -0.21 4.98 -0.21 -0.81 -4.99 119.66 115.65 1ujt s GLN 65 Ca 0.69 -2.04 -0.13 0.00 0.02 0.00 0.00 55.36 53.90 1ujt s GLN 65 Cb -0.23 -1.09 0.06 0.00 1.00 0.00 0.00 33.01 32.75 1ujt s GLN 65 CO 0.63 -0.20 0.51 0.54 -2.12 0.00 0.00 175.29 174.65 1ujt s ASN 66 N -3.59 -0.64 -0.50 5.90 2.20 -1.25 -3.11 114.94 113.94 1ujt s ASN 66 Ca 0.32 1.10 -0.00 0.00 -0.94 0.00 0.00 52.86 53.34 1ujt s ASN 66 Cb 0.08 1.00 0.13 0.00 -2.00 0.00 0.00 41.25 40.46 1ujt s ASN 66 CO 0.15 -0.20 0.27 -0.22 -2.94 0.00 0.00 177.10 174.16 1ujt s LEU 67 N 1.26 4.95 -0.06 3.54 2.96 0.59 -4.92 118.68 126.99 1ujt s LEU 67 Ca -0.08 -2.57 -0.30 0.00 -0.22 0.00 0.00 54.13 50.97 1ujt s LEU 67 Cb -0.07 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.80 1ujt s LEU 67 CO -0.12 -0.38 1.78 1.51 -1.32 0.00 0.00 176.35 177.81 1ujt s ASP 68 N 0.78 6.48 0.06 3.68 1.47 -1.26 -3.23 116.67 124.66 1ujt s ASP 68 Ca 0.14 2.25 -0.05 0.00 1.18 0.00 0.00 52.55 56.07 1ujt s ASP 68 Cb -0.22 -2.53 -0.29 0.00 -0.34 0.00 0.00 42.92 39.54 1ujt s ASP 68 CO -0.04 -1.08 1.09 0.00 0.68 0.00 0.00 175.17 175.82 1ujt h ALA 69 N 10.37 0.10 -2.32 2.11 0.00 -1.94 -3.48 119.26 124.11 1ujt h ALA 69 Ca -0.42 -0.92 -0.36 0.00 0.00 0.00 0.00 54.91 53.21 1ujt h ALA 69 Cb 1.20 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1ujt h ALA 69 CO 0.96 0.98 -0.44 1.63 0.00 0.00 0.00 179.25 182.37 1ujt n LYS 70 N -3.53 -1.41 -3.29 0.00 5.02 -1.26 -4.97 118.16 108.72 1ujt n LYS 70 Ca -0.10 0.91 -0.06 0.00 -2.02 0.00 0.00 58.31 57.04 1ujt n LYS 70 Cb 1.03 -5.37 -0.06 0.00 -0.02 0.00 0.00 35.03 30.61 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 -2.86 -0.71 -1.39 -0.18 1.01 -1.26 -5.01 120.40 110.00 1ujt s VAL 71 Ca 0.00 -0.09 0.15 0.00 0.00 0.00 0.00 61.98 62.03 1ujt s VAL 71 Cb 0.00 -0.89 0.25 0.00 0.00 0.00 0.00 36.38 35.74 1ujt s VAL 71 CO 0.00 -0.12 1.41 -0.81 0.00 0.00 0.00 175.10 175.58 1ujt n PRO 72 N 5.38 0.19 0.00 2.72 -0.04 -1.23 -1.91 135.00 140.11 1ujt n PRO 72 Ca -0.02 0.16 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1ujt n PRO 72 Cb 0.50 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.30 0.00 -3.24 0.52 -2.24 -1.26 -4.85 114.28 101.91 1ujt n THR 73 Ca 0.07 -0.11 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 1ujt n THR 73 Cb 0.12 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.36 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 -2.68 3.08 -0.58 -0.78 2.02 -0.80 -4.93 118.70 114.03 1ujt s GLU 74 Ca 0.10 -0.99 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 1ujt s GLU 74 Cb 0.15 -4.09 0.49 0.00 0.10 0.00 0.00 34.13 30.79 1ujt s GLU 74 CO 0.72 -1.12 1.99 0.54 0.02 0.00 0.00 175.26 177.41 1ujt n ARG 75 N 5.85 2.51 -3.55 1.61 3.00 -1.26 -4.91 116.66 119.91 1ujt n ARG 75 Ca -0.08 -3.09 -0.17 0.00 -0.01 0.00 0.00 57.85 54.50 1ujt n ARG 75 Cb 0.45 -2.21 -0.06 0.00 0.00 0.00 0.00 32.46 30.64 1ujt n ARG 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ujt s SER 76 N -1.55 -0.67 0.06 0.55 0.01 -1.26 -1.64 113.70 109.19 1ujt s SER 76 Ca 0.60 0.87 -0.12 0.00 1.31 0.00 0.00 55.95 58.61 1ujt s SER 76 Cb 0.48 0.73 0.01 0.00 0.21 0.00 0.00 66.02 67.46 1ujt s SER 76 CO 0.02 -0.52 0.27 0.00 0.41 0.00 0.00 173.24 173.42 1ujt s ALA 77 N -0.84 -0.55 -0.11 1.44 0.00 0.29 -4.99 121.76 117.00 1ujt s ALA 77 Ca -0.08 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1ujt s ALA 77 Cb -0.01 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.50 1ujt s ALA 77 CO 0.08 -0.45 -0.22 0.08 0.00 0.00 0.00 175.76 175.25 1ujt s VAL 78 N -2.98 1.93 -0.35 0.00 1.01 -1.26 0.66 120.40 119.41 1ujt s VAL 78 Ca -0.02 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1ujt s VAL 78 Cb 0.01 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1ujt s VAL 78 CO -0.06 0.53 0.23 -0.76 0.00 0.00 0.00 175.10 175.04 1ujt s LEU 79 N 0.56 4.54 0.49 3.92 1.43 -0.94 -4.99 118.68 123.68 1ujt s LEU 79 Ca -0.14 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 52.48 1ujt s LEU 79 Cb -0.17 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1ujt s LEU 79 CO 0.04 -0.27 0.58 0.68 0.23 0.00 0.00 176.35 177.61 1ujt s VAL 80 N 1.68 2.43 -1.19 -1.59 -7.23 -1.26 -2.55 120.40 110.69 1ujt s VAL 80 Ca 0.05 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1ujt s VAL 80 Cb -0.18 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1ujt s VAL 80 CO 0.09 0.00 0.99 0.59 -0.31 0.00 0.00 175.10 176.47 1ujt n ASN 81 N -1.90 -2.33 -4.87 4.85 3.02 -1.15 -4.98 115.26 107.89 1ujt n ASN 81 Ca 0.08 -0.60 -0.21 0.00 -0.03 0.00 0.00 54.58 53.82 1ujt n ASN 81 Cb 0.61 -5.04 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 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 -6.34 3.67 0.20 3.41 1.43 -0.88 -5.08 118.68 115.10 1ujt s LEU 82 Ca 0.04 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 1ujt s LEU 82 Cb -0.02 -2.30 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 1ujt s LEU 82 CO 0.72 -0.34 0.63 -0.54 0.23 0.00 0.00 176.35 177.05 1ujt s LYS 83 N -4.01 4.06 -0.23 1.70 1.02 -1.26 -4.58 119.74 116.43 1ujt s LYS 83 Ca 0.41 0.62 -0.14 0.00 0.02 0.00 0.00 55.97 56.88 1ujt s LYS 83 Cb -0.06 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1ujt s LYS 83 CO 0.27 0.40 0.33 -1.59 -0.92 0.00 0.00 175.35 173.84 1ujt s LYS 84 N -2.14 4.10 0.00 1.68 0.00 -1.20 -4.47 119.74 117.70 1ujt s LYS 84 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 55.97 56.41 1ujt s LYS 84 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 37.83 34.11 1ujt s LYS 84 CO 0.20 -0.09 0.00 0.41 0.00 0.00 0.00 175.35 175.87 1ujt n GLY 85 N 4.27 0.67 3.63 0.59 0.00 0.31 -4.83 105.19 109.83 1ujt n GLY 85 Ca -0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.96 0.00 0.40 1.61 0.11 -1.21 -4.98 120.40 114.36 1ujt s VAL 86 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 1ujt s VAL 86 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1ujt s VAL 86 CO 0.00 0.00 1.04 -0.89 -3.33 0.00 0.00 175.10 171.92 1ujt s THR 87 N -0.38 3.77 -0.19 5.04 2.01 -1.26 -2.71 115.64 121.93 1ujt s THR 87 Ca 0.06 1.35 -0.02 0.00 0.31 0.00 0.00 61.69 63.38 1ujt s THR 87 Cb -0.03 -3.69 0.06 0.00 0.01 0.00 0.00 72.50 68.84 1ujt s THR 87 CO -0.09 -0.00 0.01 -0.31 -0.69 0.00 0.00 174.62 173.54 1ujt s TYR 88 N -1.68 1.24 -0.00 4.92 2.02 0.14 -2.24 117.35 121.75 1ujt s TYR 88 Ca 0.58 -0.95 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 1ujt s TYR 88 Cb -0.21 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 1ujt s TYR 88 CO 0.27 -0.61 1.10 -2.00 -1.57 0.00 0.00 175.55 172.73 1ujt s GLU 89 N 1.78 4.46 0.02 -0.62 2.12 -1.14 -1.56 118.70 123.76 1ujt s GLU 89 Ca -0.01 1.59 0.01 0.00 0.36 0.00 0.00 54.97 56.92 1ujt s GLU 89 Cb -0.17 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 1ujt s GLU 89 CO -0.07 -0.23 -0.05 0.42 -0.54 0.00 0.00 175.26 174.79 1ujt s ILE 90 N 1.36 0.38 -0.13 -3.70 1.01 -0.72 -3.02 121.20 116.39 1ujt s ILE 90 Ca 0.55 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1ujt s ILE 90 Cb -0.24 -0.40 0.04 0.00 0.01 0.00 0.00 42.46 41.87 1ujt s ILE 90 CO 0.26 -0.14 0.31 -1.59 0.00 0.00 0.00 174.94 173.78 1ujt s LYS 91 N -0.78 0.31 -0.10 2.79 0.00 -1.04 -1.07 119.74 119.85 1ujt s LYS 91 Ca -0.04 0.56 -0.02 0.00 0.00 0.00 0.00 55.97 56.47 1ujt s LYS 91 Cb -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 37.83 37.76 1ujt s LYS 91 CO -0.00 -0.12 -0.03 0.08 0.00 0.00 0.00 175.35 175.28 1ujt s VAL 92 N 0.88 3.98 -0.01 1.79 1.01 -1.26 -3.08 120.40 123.70 1ujt s VAL 92 Ca -0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1ujt s VAL 92 Cb -0.07 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 1ujt s VAL 92 CO -0.06 0.57 0.07 0.00 0.00 0.00 0.00 175.10 175.67 1ujt s ARG 93 N -0.45 0.24 -0.08 2.72 3.03 -1.26 -2.33 118.95 120.82 1ujt s ARG 93 Ca 0.07 -0.19 -0.30 0.00 2.03 0.00 0.00 55.73 57.35 1ujt s ARG 93 Cb -0.12 0.10 -0.04 0.00 -1.03 0.00 0.00 34.95 33.85 1ujt s ARG 93 CO 0.02 -0.04 1.51 -1.25 -1.13 0.00 0.00 175.30 174.41 1ujt s PRO 94 N -0.66 4.21 0.02 3.89 0.04 -1.26 -3.72 135.00 137.52 1ujt s PRO 94 Ca -0.07 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.05 1ujt s PRO 94 Cb -0.05 -3.87 -0.03 0.00 0.04 0.00 0.00 34.50 30.60 1ujt s PRO 94 CO 0.00 -0.77 -0.21 1.52 0.04 0.00 0.00 177.00 177.58 1ujt s TYR 95 N 3.67 2.48 0.00 0.56 -0.85 -1.25 -0.30 117.35 121.66 1ujt s TYR 95 Ca 0.67 -0.32 0.00 0.00 -0.52 0.00 0.00 57.07 56.90 1ujt s TYR 95 Cb -0.30 -1.47 0.00 0.00 0.38 0.00 0.00 41.96 40.57 1ujt s TYR 95 CO 0.25 0.16 0.00 0.34 -1.52 0.00 0.00 175.55 174.78 1ujt n PHE 96 N 1.86 0.00 0.00 -3.49 7.35 -1.24 -1.87 117.46 120.07 1ujt n PHE 96 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1ujt n PHE 96 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1ujt n PHE 96 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1ujt n ASN 97 N -1.84 0.00 0.00 -2.13 4.13 -1.26 -4.15 115.26 110.01 1ujt n ASN 97 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1ujt n ASN 97 Cb 0.00 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 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 -1.84 2.93 -1.73 3.52 0.00 -1.26 -5.06 120.64 117.20 1ujt n GLU 98 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1ujt n GLU 98 Cb 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 31.44 30.54 1ujt n GLU 98 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1ujt s PHE 99 N -1.89 2.87 -0.10 -1.84 -0.71 -1.26 -5.06 117.98 109.99 1ujt s PHE 99 Ca 0.00 1.50 0.03 0.00 -1.04 0.00 0.00 56.93 57.42 1ujt s PHE 99 Cb 0.00 -3.02 0.01 0.00 -1.21 0.00 0.00 43.02 38.80 1ujt s PHE 99 CO 0.00 -1.38 -0.19 1.14 -1.34 0.00 0.00 175.22 173.44 1ujt s GLN 100 N -4.46 2.59 1.23 1.99 0.00 -1.26 -3.69 119.66 116.06 1ujt s GLN 100 Ca 0.62 -0.71 -0.19 0.00 -0.00 0.00 0.00 55.36 55.09 1ujt s GLN 100 Cb -0.17 -2.06 0.30 0.00 0.00 0.00 0.00 33.01 31.08 1ujt s GLN 100 CO 0.46 0.05 1.05 0.20 0.00 0.00 0.00 175.29 177.05 1ujt s GLY 101 N 0.66 1.53 0.14 2.60 0.00 0.59 -4.88 107.32 107.96 1ujt s GLY 101 Ca -0.13 -0.77 -0.35 0.00 0.00 0.00 0.00 44.72 43.48 1ujt s GLY 101 CO 0.03 0.10 1.35 1.03 0.00 0.00 0.00 173.10 175.61 1ujt n MET 102 N -4.94 1.44 -2.71 2.90 2.81 -1.26 -4.60 117.12 110.76 1ujt n MET 102 Ca 0.11 0.52 -0.39 0.00 -1.81 0.00 0.00 57.70 56.13 1ujt n MET 102 Cb 0.59 -2.15 -0.06 0.00 -0.71 0.00 0.00 33.22 30.89 1ujt n MET 102 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ujt s ASP 103 N 0.41 7.43 0.90 7.83 1.47 -1.26 -4.49 116.67 128.97 1ujt s ASP 103 Ca 0.79 1.97 -0.12 0.00 1.18 0.00 0.00 52.55 56.36 1ujt s ASP 103 Cb -0.84 -2.60 0.13 0.00 -0.34 0.00 0.00 42.92 39.27 1ujt s ASP 103 CO 0.47 -0.00 1.11 -0.55 0.68 0.00 0.00 175.17 176.88 1ujt s SER 104 N -1.30 3.52 -0.65 2.11 0.15 -0.98 -4.85 113.70 111.69 1ujt s SER 104 Ca 0.46 1.16 -0.26 0.00 0.70 0.00 0.00 55.95 58.01 1ujt s SER 104 Cb -0.24 -1.81 -0.12 0.00 -1.71 0.00 0.00 66.02 62.14 1ujt s SER 104 CO 0.30 -2.57 2.44 -0.62 1.20 0.00 0.00 173.24 173.99 1ujt n GLU 105 N -3.80 0.74 -1.30 5.44 1.02 -1.26 -4.72 120.64 116.76 1ujt n GLU 105 Ca 0.06 -0.24 -0.45 0.00 -0.02 0.00 0.00 57.16 56.51 1ujt n GLU 105 Cb 0.58 -3.19 -0.13 0.00 -0.02 0.00 0.00 31.44 28.68 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 15.63 0.44 -4.69 1.62 7.64 -1.26 -4.85 113.62 128.15 1ujt n SER 106 Ca 0.45 0.35 -0.39 0.00 1.01 0.00 0.00 58.87 60.28 1ujt n SER 106 Cb 0.44 -0.85 -0.06 0.00 -1.01 0.00 0.00 64.21 62.73 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 7.27 4.28 -0.20 1.43 -0.14 -0.23 -4.82 119.74 127.33 1ujt s LYS 107 Ca 1.21 0.60 -0.18 0.00 -1.36 0.00 0.00 55.97 56.23 1ujt s LYS 107 Cb -1.26 -3.52 -0.03 0.00 -1.68 0.00 0.00 37.83 31.34 1ujt s LYS 107 CO 0.52 -0.07 0.51 0.95 -0.76 0.00 0.00 175.35 176.49 1ujt s THR 108 N 1.35 5.12 -0.21 2.17 -4.23 -1.26 -1.76 115.64 116.82 1ujt s THR 108 Ca 0.29 0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 61.69 1ujt s THR 108 Cb -0.16 -3.83 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 1ujt s THR 108 CO 0.12 0.19 -0.03 0.54 -0.54 0.00 0.00 174.62 174.90 1ujt s VAL 109 N 1.58 3.58 -0.44 2.29 0.11 -0.60 -4.86 120.40 122.04 1ujt s VAL 109 Ca 0.24 -0.43 -0.16 0.00 -2.93 0.00 0.00 61.98 58.70 1ujt s VAL 109 Cb -0.15 -2.62 0.04 0.00 -1.53 0.00 0.00 36.38 32.12 1ujt s VAL 109 CO 0.09 0.43 0.39 -0.60 -3.33 0.00 0.00 175.10 172.08 1ujt s ARG 110 N 1.27 3.01 -0.56 1.54 3.52 -1.26 0.23 118.95 126.70 1ujt s ARG 110 Ca 0.03 -1.09 -0.28 0.00 -0.13 0.00 0.00 55.73 54.26 1ujt s ARG 110 Cb -0.14 -4.05 0.02 0.00 -1.56 0.00 0.00 34.95 29.22 1ujt s ARG 110 CO -0.01 -0.92 1.26 0.95 -0.81 0.00 0.00 175.30 175.78 1ujt s THR 111 N 1.83 3.96 1.01 4.11 -4.23 -1.10 -4.93 115.64 116.30 1ujt s THR 111 Ca 0.07 0.87 -0.19 0.00 -1.18 0.00 0.00 61.69 61.26 1ujt s THR 111 Cb -0.21 -4.62 -0.06 0.00 1.34 0.00 0.00 72.50 68.95 1ujt s THR 111 CO 0.10 -1.25 -0.50 1.07 -0.54 0.00 0.00 174.62 173.50 1ujt n THR 112 N 6.76 0.00 -0.12 3.99 5.66 -1.26 0.11 114.28 129.42 1ujt n THR 112 Ca 0.10 -0.26 -0.24 0.00 -3.05 0.00 0.00 64.05 60.60 1ujt n THR 112 Cb 0.49 -0.29 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 1ujt n THR 112 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ujt n GLU 113 N 0.44 0.57 -4.07 1.09 1.02 -1.26 -3.03 120.64 115.40 1ujt n GLU 113 Ca 0.01 0.30 -0.14 0.00 -0.02 0.00 0.00 57.16 57.31 1ujt n GLU 113 Cb 0.61 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.37 1ujt n GLU 113 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ujt s GLU 114 N -2.55 0.34 -0.87 3.49 2.56 -1.26 -4.90 118.70 115.51 1ujt s GLU 114 Ca -0.35 -0.26 -0.25 0.00 0.00 0.00 0.00 54.97 54.11 1ujt s GLU 114 Cb 0.11 -0.27 0.04 0.00 2.00 0.00 0.00 34.13 36.01 1ujt s GLU 114 CO 0.48 0.07 1.35 -1.12 -0.56 0.00 0.00 175.26 175.48 1ujt s SER 115 N -0.41 6.32 0.00 -1.70 0.01 -1.26 -4.86 113.70 111.80 1ujt s SER 115 Ca -0.01 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1ujt s SER 115 Cb -0.03 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1ujt s SER 115 CO -0.00 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.58 1ujt n GLY 116 N 6.08 0.05 3.60 3.44 0.00 -1.26 -4.96 105.19 112.14 1ujt n GLY 116 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 0.83 3.34 0.28 1.61 0.04 -1.26 -4.95 135.00 134.89 1ujt s PRO 117 Ca 0.00 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 1ujt s PRO 117 Cb 0.00 -4.17 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1ujt s PRO 117 CO 0.00 -1.85 0.59 -1.12 0.04 0.00 0.00 177.00 174.66 1ujt s SER 118 N 5.71 -0.08 -0.21 6.66 0.01 -1.26 -5.08 113.70 119.44 1ujt s SER 118 Ca 0.74 -0.88 -0.17 0.00 1.31 0.00 0.00 55.95 56.96 1ujt s SER 118 Cb -0.20 0.67 -0.18 0.00 0.21 0.00 0.00 66.02 66.52 1ujt s SER 118 CO 0.32 -1.27 0.09 -0.24 0.41 0.00 0.00 173.24 172.55 1ujt n SER 119 N -0.57 1.92 0.00 2.44 2.88 -1.26 -5.28 113.62 113.75 1ujt n SER 119 Ca -0.03 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1ujt n SER 119 Cb 0.61 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1ujt n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42