#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 n SER 2 N 0.00 -1.52 -3.56 1.61 2.88 -1.26 -5.15 113.62 106.63 1x52 n SER 2 Ca 0.00 0.39 -0.30 0.00 -1.33 0.00 0.00 58.87 57.63 1x52 n SER 2 Cb 0.00 1.62 0.25 0.00 -0.75 0.00 0.00 64.21 65.33 1x52 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x52 n SER 3 N -2.97 -1.97 0.00 -3.46 3.41 -1.26 -4.86 113.62 102.51 1x52 n SER 3 Ca 0.00 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1x52 n SER 3 Cb 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x52 n GLY 4 N -4.64 -1.60 2.45 5.00 0.00 -1.26 -5.08 105.19 100.06 1x52 n GLY 4 Ca 0.15 -1.38 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 1x52 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x52 n SER 5 N 0.12 -1.93 -2.53 1.61 7.64 -1.26 -4.78 113.62 112.49 1x52 n SER 5 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1x52 n SER 5 Cb 0.00 -4.67 0.00 0.00 -1.01 0.00 0.00 64.21 58.53 1x52 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x52 n SER 6 N 1.28 -5.04 -3.74 6.43 7.64 -1.26 -5.03 113.62 113.90 1x52 n SER 6 Ca -0.29 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 59.79 1x52 n SER 6 Cb 0.45 -1.19 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 1x52 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x52 s GLY 7 N -0.71 -0.18 0.16 0.23 0.00 -1.26 -5.18 107.32 100.38 1x52 s GLY 7 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 44.72 45.07 1x52 s GLY 7 CO 0.00 0.09 0.12 -0.37 0.00 0.00 0.00 173.10 172.94 1x52 n THR 8 N 1.03 0.00 -3.63 0.90 5.66 -1.26 -5.16 114.28 111.82 1x52 n THR 8 Ca -0.20 -1.15 -0.14 0.00 -3.05 0.00 0.00 64.05 59.50 1x52 n THR 8 Cb 0.57 0.55 -0.13 0.00 -1.55 0.00 0.00 70.33 69.77 1x52 n THR 8 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1x52 s VAL 9 N -2.58 -0.39 0.00 1.08 0.11 -1.26 -5.05 120.40 112.31 1x52 s VAL 9 Ca 0.17 0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.44 1x52 s VAL 9 Cb 0.01 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1x52 s VAL 9 CO 0.12 0.07 1.95 0.00 -3.33 0.00 0.00 175.10 173.91 1x52 n ALA 10 N 5.34 3.95 -1.69 1.54 0.00 -1.26 -4.95 120.51 123.45 1x52 n ALA 10 Ca -0.06 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1x52 n ALA 10 Cb 0.50 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1x52 n ALA 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x52 n SER 11 N 1.67 2.84 -3.54 0.00 2.88 -1.26 -5.01 113.62 111.21 1x52 n SER 11 Ca 0.04 1.18 -0.16 0.00 -1.33 0.00 0.00 58.87 58.60 1x52 n SER 11 Cb 0.49 -1.48 -0.06 0.00 -0.75 0.00 0.00 64.21 62.41 1x52 n SER 11 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1x52 s ARG 12 N -1.33 0.95 0.72 -1.46 3.52 -1.26 -5.17 118.95 114.92 1x52 s ARG 12 Ca 0.60 0.27 -0.13 0.00 -0.13 0.00 0.00 55.73 56.33 1x52 s ARG 12 Cb -0.59 0.45 0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1x52 s ARG 12 CO 0.57 -0.29 1.12 -0.51 -0.81 0.00 0.00 175.30 175.38 1x52 s LEU 13 N -1.10 3.23 0.00 -0.88 2.01 -1.26 -5.07 118.68 115.60 1x52 s LEU 13 Ca -0.09 2.00 -0.04 0.00 0.01 0.00 0.00 54.13 56.02 1x52 s LEU 13 Cb -0.00 -4.55 0.02 0.00 0.01 0.00 0.00 46.19 41.67 1x52 s LEU 13 CO 0.08 -1.95 0.31 -1.54 1.01 0.00 0.00 176.35 174.25 1x52 n SER 14 N -2.94 -0.88 -4.71 2.29 3.41 -1.26 -5.12 113.62 104.41 1x52 n SER 14 Ca 0.10 -1.83 -0.43 0.00 -0.26 0.00 0.00 58.87 56.45 1x52 n SER 14 Cb 0.52 1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 65.97 1x52 n SER 14 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1x52 n ASP 15 N -1.56 3.66 -0.25 4.04 2.03 -1.26 -4.83 116.55 118.38 1x52 n ASP 15 Ca -0.02 1.09 -0.00 0.00 0.52 0.00 0.00 54.79 56.37 1x52 n ASP 15 Cb 0.28 -1.53 0.21 0.00 -0.72 0.00 0.00 41.12 39.36 1x52 n ASP 15 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1x52 h THR 16 N 3.63 1.21 0.20 5.18 2.02 -2.00 0.35 112.91 123.50 1x52 h THR 16 Ca -0.44 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1x52 h THR 16 Cb 1.22 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1x52 h THR 16 CO 0.90 0.21 -0.10 0.50 0.37 0.00 0.00 175.52 177.40 1x52 h LYS 17 N 1.10 -0.26 -0.88 6.66 3.11 -2.02 -2.61 116.57 121.67 1x52 h LYS 17 Ca 0.29 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1x52 h LYS 17 Cb -0.11 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 1x52 h LYS 17 CO -0.06 -0.13 0.56 0.00 -2.81 0.00 0.00 179.45 177.00 1x52 h ALA 18 N 0.47 1.33 0.00 5.00 0.00 -1.74 -3.13 119.26 121.19 1x52 h ALA 18 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1x52 h ALA 18 Cb 0.25 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1x52 h ALA 18 CO 0.05 0.60 -0.12 0.00 0.00 0.00 0.00 179.25 179.77 1x52 h ALA 19 N 1.42 1.01 -0.01 0.00 0.00 -0.00 0.44 119.26 122.11 1x52 h ALA 19 Ca 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x52 h ALA 19 Cb -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1x52 h ALA 19 CO -0.06 0.16 -0.01 0.78 0.00 0.00 0.00 179.25 180.11 1x52 h GLY 20 N 2.23 0.03 0.53 0.00 0.00 -1.41 0.15 103.07 104.59 1x52 h GLY 20 Ca -0.00 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1x52 h GLY 20 CO 0.02 0.03 -0.11 0.83 0.00 0.00 0.00 176.54 177.30 1x52 h GLU 21 N -0.47 -0.12 -0.79 4.80 3.07 -1.57 -1.74 114.58 117.76 1x52 h GLU 21 Ca 0.00 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1x52 h GLU 21 Cb 0.52 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 1x52 h GLU 21 CO 0.00 -0.08 0.52 0.28 -1.40 0.00 0.00 179.01 178.33 1x52 h VAL 22 N -0.13 1.20 -0.23 3.13 2.07 -0.93 0.13 116.25 121.49 1x52 h VAL 22 Ca 0.09 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1x52 h VAL 22 Cb 0.26 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1x52 h VAL 22 CO -0.22 0.19 0.15 0.50 0.02 0.00 0.00 177.57 178.22 1x52 h LYS 23 N 1.06 0.30 -0.64 1.57 3.64 -0.66 0.48 116.57 122.31 1x52 h LYS 23 Ca 0.29 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1x52 h LYS 23 Cb -0.11 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1x52 h LYS 23 CO -0.07 0.20 0.42 0.00 -2.27 0.00 0.00 179.45 177.73 1x52 h ALA 24 N 1.09 0.81 -0.68 5.00 0.00 -0.78 0.65 119.26 125.36 1x52 h ALA 24 Ca 0.09 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1x52 h ALA 24 Cb -0.03 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1x52 h ALA 24 CO -0.03 0.24 0.38 1.25 0.00 0.00 0.00 179.25 181.10 1x52 h LEU 25 N 0.87 0.56 -0.07 0.00 5.85 -0.30 -1.06 115.31 121.16 1x52 h LEU 25 Ca 0.23 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1x52 h LEU 25 Cb -0.10 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1x52 h LEU 25 CO -0.05 0.36 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.57 1x52 h ASP 26 N 0.69 0.17 -0.61 1.25 3.58 -0.25 0.96 116.42 122.21 1x52 h ASP 26 Ca 0.31 -0.47 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 1x52 h ASP 26 Cb 0.20 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1x52 h ASP 26 CO -0.19 0.60 0.11 -0.78 -2.88 0.00 0.00 179.24 176.11 1x52 h ASP 27 N -0.27 0.96 0.76 2.28 3.58 -0.84 -0.69 116.42 122.20 1x52 h ASP 27 Ca 0.01 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 57.17 1x52 h ASP 27 Cb 0.55 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1x52 h ASP 27 CO 0.01 0.97 -0.50 0.15 -2.88 0.00 0.00 179.24 176.99 1x52 h PHE 28 N 0.92 -1.35 -0.62 0.28 3.04 -1.19 -3.09 116.94 114.92 1x52 h PHE 28 Ca 0.19 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.15 1x52 h PHE 28 Cb 0.41 0.49 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 1x52 h PHE 28 CO 0.03 -0.74 0.41 1.88 -2.02 0.00 0.00 178.31 177.88 1x52 h TYR 29 N -1.19 0.75 -0.29 0.41 0.05 -0.49 0.18 116.97 116.38 1x52 h TYR 29 Ca -0.10 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.76 1x52 h TYR 29 Cb 0.97 -0.25 -0.08 0.00 1.01 0.00 0.00 36.73 38.38 1x52 h TYR 29 CO -0.13 0.45 -0.40 -0.22 -1.05 0.00 0.00 178.16 176.81 1x52 h LYS 30 N 0.79 -0.36 -0.54 4.88 3.64 -1.15 -1.98 116.57 121.85 1x52 h LYS 30 Ca 0.24 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 1x52 h LYS 30 Cb -0.01 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1x52 h LYS 30 CO -0.06 -0.24 0.05 0.52 -2.27 0.00 0.00 179.45 177.45 1x52 h MET 31 N -0.37 0.88 -0.78 1.90 2.86 -1.09 -2.32 114.93 116.02 1x52 h MET 31 Ca 0.12 -0.23 0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1x52 h MET 31 Cb 0.59 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 1x52 h MET 31 CO -0.49 0.85 0.51 1.25 1.06 0.00 0.00 176.91 180.09 1x52 h LEU 32 N 0.83 0.66 0.54 1.22 5.85 -0.36 0.31 115.31 124.36 1x52 h LEU 32 Ca 0.17 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1x52 h LEU 32 Cb 0.42 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1x52 h LEU 32 CO 0.01 0.40 -0.26 1.56 -0.34 0.00 0.00 178.44 179.82 1x52 h GLN 33 N 0.74 -0.69 0.00 1.25 1.08 -1.18 -3.39 115.11 112.91 1x52 h GLN 33 Ca 0.35 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1x52 h GLN 33 Cb 0.40 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1x52 h GLN 33 CO -0.13 -0.46 0.00 0.72 -0.95 0.00 0.00 178.83 178.01 1x52 n HIS 34 N -4.90 0.00 -3.90 2.96 8.25 -0.57 -4.75 115.22 112.30 1x52 n HIS 34 Ca -0.09 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.07 1x52 n HIS 34 Cb 0.28 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.25 1x52 n HIS 34 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1x52 s GLU 35 N -0.33 1.56 0.00 -0.41 -1.05 0.99 -4.96 118.70 114.50 1x52 s GLU 35 Ca 0.00 -2.13 0.11 0.00 -0.15 0.00 0.00 54.97 52.81 1x52 s GLU 35 Cb 0.00 -2.95 0.58 0.00 -0.44 0.00 0.00 34.13 31.32 1x52 s GLU 35 CO 0.00 -1.06 1.25 -0.35 0.95 0.00 0.00 175.26 176.05 1x52 n PRO 36 N 3.70 0.17 -0.11 -4.83 -0.04 -1.09 -1.45 135.00 131.35 1x52 n PRO 36 Ca 0.05 0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.84 1x52 n PRO 36 Cb 0.36 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 32.87 1x52 n PRO 36 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1x52 h ASP 37 N 0.00 0.29 -0.51 3.54 5.19 -1.74 0.16 116.42 123.35 1x52 h ASP 37 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1x52 h ASP 37 Cb 0.10 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1x52 h ASP 37 CO 0.00 0.16 0.00 0.54 -3.12 0.00 0.00 179.24 176.82 1x52 n ARG 38 N -4.45 2.42 -3.53 3.56 1.74 -0.53 -2.45 116.66 113.42 1x52 n ARG 38 Ca 0.12 -2.18 -0.29 0.00 -0.77 0.00 0.00 57.85 54.73 1x52 n ARG 38 Cb 0.52 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.34 1x52 n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x52 s ALA 39 N -1.33 1.23 -0.04 7.54 0.00 0.04 -1.07 121.76 128.13 1x52 s ALA 39 Ca 0.40 -2.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.21 1x52 s ALA 39 Cb 0.22 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1x52 s ALA 39 CO 0.30 -2.07 0.41 -0.06 0.00 0.00 0.00 175.76 174.34 1x52 s PHE 40 N 0.96 3.67 0.13 0.00 0.40 -0.82 -4.75 117.98 117.56 1x52 s PHE 40 Ca 0.17 0.94 -0.01 0.00 -0.60 0.00 0.00 56.93 57.43 1x52 s PHE 40 Cb -0.23 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 1x52 s PHE 40 CO -0.01 0.52 0.05 1.52 0.70 0.00 0.00 175.22 177.99 1x52 s TYR 41 N -0.63 0.87 0.00 0.36 1.13 -1.26 -0.88 117.35 116.94 1x52 s TYR 41 Ca 0.23 -1.21 0.00 0.00 -1.41 0.00 0.00 57.07 54.69 1x52 s TYR 41 Cb -0.16 -0.49 0.00 0.00 -1.10 0.00 0.00 41.96 40.21 1x52 s TYR 41 CO 0.12 -0.48 0.00 0.41 -2.51 0.00 0.00 175.55 173.08 1x52 n GLY 42 N -0.09 -3.04 0.30 5.49 0.00 -0.39 -4.37 105.19 103.08 1x52 n GLY 42 Ca -0.06 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 1x52 n GLY 42 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x52 n LEU 43 N -0.31 -0.48 -0.12 0.99 7.94 -1.26 -0.93 117.00 122.83 1x52 n LEU 43 Ca 0.00 1.36 -0.06 0.00 -1.11 0.00 0.00 56.01 56.20 1x52 n LEU 43 Cb 0.00 -0.32 0.02 0.00 0.53 0.00 0.00 43.42 43.64 1x52 n LEU 43 CO 0.00 -1.23 0.97 0.07 -1.11 0.00 0.00 177.39 176.09 1x52 h LYS 44 N 0.00 0.35 0.65 1.96 -0.00 -1.98 0.45 116.57 118.00 1x52 h LYS 44 Ca 0.28 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.65 60.88 1x52 h LYS 44 Cb 0.48 -0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.63 1x52 h LYS 44 CO -0.78 0.23 -0.36 1.96 -0.00 0.00 0.00 179.45 180.50 1x52 h GLN 45 N 0.36 -0.91 -0.82 0.07 4.20 -1.23 -2.39 115.11 114.39 1x52 h GLN 45 Ca 0.17 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.11 1x52 h GLN 45 Cb 0.10 0.21 -0.11 0.00 0.30 0.00 0.00 27.48 27.97 1x52 h GLN 45 CO -0.13 -0.61 0.32 0.28 -0.67 0.00 0.00 178.83 178.02 1x52 h VAL 46 N -0.94 0.56 -0.26 -0.54 2.07 -1.13 0.13 116.25 116.14 1x52 h VAL 46 Ca -0.08 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1x52 h VAL 46 Cb 0.75 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1x52 h VAL 46 CO 0.11 0.07 0.17 -0.33 0.02 0.00 0.00 177.57 177.62 1x52 h GLU 47 N 0.40 0.25 0.04 1.57 5.08 -0.63 -0.07 114.58 121.22 1x52 h GLU 47 Ca 0.48 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.67 1x52 h GLU 47 Cb 0.81 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.02 1x52 h GLU 47 CO -0.47 0.17 -0.62 -0.22 -1.00 0.00 0.00 179.01 176.87 1x52 h LYS 48 N 0.26 0.35 -0.41 2.33 1.63 -0.32 -3.01 116.57 117.40 1x52 h LYS 48 Ca 0.11 -0.43 0.06 0.00 -0.85 0.00 0.00 60.65 59.54 1x52 h LYS 48 Cb 0.10 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1x52 h LYS 48 CO -0.02 1.12 0.28 0.00 -3.45 0.00 0.00 179.45 177.38 1x52 h ALA 49 N 0.25 2.00 -0.53 5.00 0.00 -0.55 -2.01 119.26 123.41 1x52 h ALA 49 Ca -0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1x52 h ALA 49 Cb 1.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1x52 h ALA 49 CO 0.12 -0.07 0.06 -0.97 0.00 0.00 0.00 179.25 178.38 1x52 h ASN 50 N 0.31 0.87 -0.68 0.00 -0.73 -1.01 -2.22 115.58 112.11 1x52 h ASN 50 Ca 0.18 -0.28 0.08 0.00 1.87 0.00 0.00 56.30 58.15 1x52 h ASN 50 Cb 0.33 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.65 1x52 h ASN 50 CO -0.04 0.93 0.45 -0.33 -0.37 0.00 0.00 177.43 178.07 1x52 h GLU 51 N 0.78 0.61 0.00 6.67 5.08 -1.24 -0.83 114.58 125.65 1x52 h GLU 51 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1x52 h GLU 51 Cb 0.45 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x52 h GLU 51 CO 0.02 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.43 1x52 n ALA 52 N -2.47 2.50 -0.97 3.43 0.00 -0.92 -4.90 120.51 117.17 1x52 n ALA 52 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1x52 n ALA 52 Cb 0.28 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1x52 n ALA 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1x52 n MET 53 N -1.14 -1.64 0.00 0.00 2.81 -0.32 -4.81 117.12 112.01 1x52 n MET 53 Ca 0.18 0.52 0.15 0.00 -1.81 0.00 0.00 57.70 56.73 1x52 n MET 53 Cb 0.16 -4.48 0.69 0.00 -0.71 0.00 0.00 33.22 28.88 1x52 n MET 53 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x52 n ALA 54 N 0.52 2.65 -2.42 3.04 0.00 -0.87 -4.81 120.51 118.61 1x52 n ALA 54 Ca -0.06 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.74 1x52 n ALA 54 Cb 0.35 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1x52 n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x52 s ILE 55 N -2.50 3.94 -0.01 0.00 1.01 -1.26 -0.86 121.20 121.54 1x52 s ILE 55 Ca 0.29 0.92 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 1x52 s ILE 55 Cb 0.20 -4.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 1x52 s ILE 55 CO 0.47 -0.93 0.83 -0.78 0.00 0.00 0.00 174.94 174.52 1x52 h ASP 56 N 10.45 -0.51 -3.61 3.58 3.58 -1.40 -3.37 116.42 125.14 1x52 h ASP 56 Ca -0.26 0.02 -0.29 0.00 0.42 0.00 0.00 57.03 56.91 1x52 h ASP 56 Cb 1.09 0.13 -0.32 0.00 1.72 0.00 0.00 39.33 41.95 1x52 h ASP 56 CO 1.12 -0.20 -0.73 -0.89 -2.88 0.00 0.00 179.24 175.65 1x52 s THR 57 N -3.64 0.07 -0.19 2.25 2.01 -1.21 -0.70 115.64 114.22 1x52 s THR 57 Ca -0.09 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 1x52 s THR 57 Cb 0.01 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 72.36 1x52 s THR 57 CO 0.26 0.08 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.02 1x52 s LEU 58 N 0.65 3.06 -0.13 4.42 2.96 0.13 -0.35 118.68 129.41 1x52 s LEU 58 Ca -0.06 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1x52 s LEU 58 Cb -0.09 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1x52 s LEU 58 CO -0.02 0.06 0.10 -0.76 -1.32 0.00 0.00 176.35 174.42 1x52 s LEU 59 N 1.02 4.16 -0.16 -0.68 1.43 0.52 -0.61 118.68 124.35 1x52 s LEU 59 Ca 0.01 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.30 1x52 s LEU 59 Cb -0.15 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.10 1x52 s LEU 59 CO 0.01 0.35 0.43 -0.51 0.23 0.00 0.00 176.35 176.85 1x52 s ILE 60 N -0.67 -0.00 0.21 -0.59 2.07 -0.97 -1.53 121.20 119.72 1x52 s ILE 60 Ca 0.12 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.06 1x52 s ILE 60 Cb -0.12 -0.60 -0.09 0.00 0.13 0.00 0.00 42.46 41.78 1x52 s ILE 60 CO 0.02 0.00 1.37 -0.44 -1.91 0.00 0.00 174.94 173.98 1x52 s SER 61 N 0.26 6.80 0.41 4.50 0.01 -0.32 -0.79 113.70 124.56 1x52 s SER 61 Ca -0.00 2.50 0.10 0.00 1.31 0.00 0.00 55.95 59.85 1x52 s SER 61 Cb -0.03 -2.61 0.90 0.00 0.21 0.00 0.00 66.02 64.49 1x52 s SER 61 CO 0.00 -0.60 1.99 -2.24 0.41 0.00 0.00 173.24 172.80 1x52 h ASP 62 N 5.38 0.48 -0.07 2.44 2.03 -1.25 -0.29 116.42 125.14 1x52 h ASP 62 Ca -0.45 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 55.87 1x52 h ASP 62 Cb 1.21 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1x52 h ASP 62 CO 0.78 0.31 0.09 1.05 -1.03 0.00 0.00 179.24 180.44 1x52 h GLU 63 N 0.55 0.00 0.13 4.15 4.11 -1.90 -0.13 114.58 121.48 1x52 h GLU 63 Ca 0.25 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.36 1x52 h GLU 63 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1x52 h GLU 63 CO -0.07 0.00 -1.66 -0.07 0.07 0.00 0.00 179.01 177.27 1x52 h LEU 64 N 0.00 0.43 -2.37 3.06 3.38 -1.44 -2.69 115.31 115.68 1x52 h LEU 64 Ca 0.03 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1x52 h LEU 64 Cb 0.21 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1x52 h LEU 64 CO -0.00 1.56 0.17 0.15 0.09 0.00 0.00 178.44 180.41 1x52 h PHE 65 N 0.08 0.00 -1.07 1.13 3.57 -0.44 -2.51 116.94 117.70 1x52 h PHE 65 Ca -0.30 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 60.81 1x52 h PHE 65 Cb 2.04 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 40.38 1x52 h PHE 65 CO 0.07 0.00 -1.12 2.89 -2.23 0.00 0.00 178.31 177.92 1x52 n ARG 66 N -2.91 1.54 -1.68 1.11 1.85 -0.22 -4.82 116.66 111.54 1x52 n ARG 66 Ca -0.02 -3.47 -0.36 0.00 -1.00 0.00 0.00 57.85 53.00 1x52 n ARG 66 Cb 0.22 -1.42 0.07 0.00 -1.05 0.00 0.00 32.46 30.29 1x52 n ARG 66 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1x52 s HIS 67 N -3.21 2.13 0.10 2.89 2.46 -0.95 -4.89 115.29 113.82 1x52 s HIS 67 Ca 0.31 1.54 -0.15 0.00 0.47 0.00 0.00 55.06 57.22 1x52 s HIS 67 Cb 0.45 -3.57 -0.08 0.00 -0.13 0.00 0.00 32.58 29.25 1x52 s HIS 67 CO 0.00 -2.67 1.44 -0.56 -2.47 0.00 0.00 174.74 170.49 1x52 h GLN 68 N 0.29 0.70 -6.17 2.88 -0.00 -1.92 -3.43 115.11 107.45 1x52 h GLN 68 Ca -0.50 -0.34 -0.57 0.00 -0.00 0.00 0.00 58.65 57.24 1x52 h GLN 68 Cb 1.31 -0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.75 1x52 h GLN 68 CO 0.52 0.95 0.90 0.34 -0.00 0.00 0.00 178.83 181.54 1x52 s ASP 69 N -6.48 6.92 0.14 0.06 2.15 -1.26 -4.93 116.67 113.27 1x52 s ASP 69 Ca -0.12 1.55 -0.18 0.00 0.43 0.00 0.00 52.55 54.22 1x52 s ASP 69 Cb 0.09 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.19 1x52 s ASP 69 CO 0.82 -0.80 1.71 0.58 -0.17 0.00 0.00 175.17 177.31 1x52 h VAL 70 N 5.57 0.79 0.18 1.11 2.07 -1.99 0.14 116.25 124.12 1x52 h VAL 70 Ca -0.25 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1x52 h VAL 70 Cb 1.09 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1x52 h VAL 70 CO 0.98 0.01 -0.13 0.00 0.02 0.00 0.00 177.57 178.46 1x52 h ALA 71 N 1.24 -0.29 -0.15 1.67 0.00 -1.97 0.22 119.26 119.98 1x52 h ALA 71 Ca 0.13 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1x52 h ALA 71 Cb 0.18 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1x52 h ALA 71 CO -0.23 -0.68 -0.22 1.15 0.00 0.00 0.00 179.25 179.27 1x52 h THR 72 N -0.31 0.45 0.01 0.00 2.02 -1.90 -1.86 112.91 111.32 1x52 h THR 72 Ca -0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.19 1x52 h THR 72 Cb 0.27 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1x52 h THR 72 CO 0.00 0.00 -0.18 -0.09 0.37 0.00 0.00 175.52 175.63 1x52 h ARG 73 N -0.28 -0.28 -0.66 6.66 2.43 -0.44 -2.83 114.38 118.99 1x52 h ARG 73 Ca 0.11 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.43 1x52 h ARG 73 Cb 0.43 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.92 1x52 h ARG 73 CO -0.31 -0.19 -0.19 1.03 -1.51 0.00 0.00 179.97 178.80 1x52 h SER 74 N -0.29 -0.70 0.23 -3.80 0.87 -0.12 -1.00 113.55 108.74 1x52 h SER 74 Ca 0.05 0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 1x52 h SER 74 Cb 0.36 0.44 -0.04 0.00 -0.44 0.00 0.00 62.40 62.72 1x52 h SER 74 CO -0.16 -0.24 -0.40 0.03 -0.53 0.00 0.00 176.83 175.54 1x52 h ARG 75 N -0.03 -0.68 -0.05 2.24 3.08 -1.10 0.15 114.38 117.98 1x52 h ARG 75 Ca 0.31 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.43 1x52 h ARG 75 Cb 0.50 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1x52 h ARG 75 CO -0.69 -0.45 -0.13 1.88 -1.07 0.00 0.00 179.97 179.51 1x52 h TYR 76 N -0.71 -0.32 -0.54 3.04 0.05 -1.26 0.10 116.97 117.35 1x52 h TYR 76 Ca 0.00 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 1x52 h TYR 76 Cb 0.69 0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.56 1x52 h TYR 76 CO -0.30 -0.19 -0.03 -0.39 -1.05 0.00 0.00 178.16 176.20 1x52 h VAL 77 N -0.19 1.26 0.26 -2.88 -1.51 -0.88 0.50 116.25 112.81 1x52 h VAL 77 Ca 0.06 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 1x52 h VAL 77 Cb 0.27 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1x52 h VAL 77 CO -0.16 0.40 -0.13 0.03 -1.23 0.00 0.00 177.57 176.49 1x52 h ARG 78 N 0.86 -0.34 -0.61 5.19 3.08 -0.56 -1.05 114.38 120.95 1x52 h ARG 78 Ca 0.15 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.25 1x52 h ARG 78 Cb 0.55 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1x52 h ARG 78 CO 0.03 -0.22 0.38 1.25 -1.07 0.00 0.00 179.97 180.35 1x52 h LEU 79 N -0.36 0.64 0.17 3.04 5.85 -0.78 0.34 115.31 124.21 1x52 h LEU 79 Ca -0.04 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1x52 h LEU 79 Cb 0.28 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1x52 h LEU 79 CO 0.06 0.45 -0.41 0.58 -0.34 0.00 0.00 178.44 178.78 1x52 h VAL 80 N 0.76 0.17 -0.29 1.05 2.07 -0.69 -0.87 116.25 118.45 1x52 h VAL 80 Ca 0.24 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.67 1x52 h VAL 80 Cb -0.02 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1x52 h VAL 80 CO -0.08 0.00 -0.17 -0.78 0.02 0.00 0.00 177.57 176.55 1x52 h ASP 81 N -0.67 0.50 0.79 0.57 1.82 -0.93 -2.12 116.42 116.38 1x52 h ASP 81 Ca 0.01 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1x52 h ASP 81 Cb 0.68 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1x52 h ASP 81 CO -0.21 0.70 0.00 0.28 -1.61 0.00 0.00 179.24 178.40 1x52 h SER 82 N 0.46 0.00 0.38 2.28 0.02 -0.63 0.05 113.55 116.12 1x52 h SER 82 Ca 0.08 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.73 1x52 h SER 82 Cb 0.57 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.13 1x52 h SER 82 CO 0.04 0.00 -1.32 0.58 -1.14 0.00 0.00 176.83 174.99 1x52 h VAL 83 N 0.00 1.37 -0.83 2.27 2.07 -0.48 -2.86 116.25 117.79 1x52 h VAL 83 Ca 0.00 -2.78 -0.02 0.00 0.82 0.00 0.00 66.70 64.72 1x52 h VAL 83 Cb 0.40 2.91 -0.04 0.00 -1.52 0.00 0.00 31.29 33.04 1x52 h VAL 83 CO 0.00 0.83 0.42 0.11 0.02 0.00 0.00 177.57 178.95 1x52 h LYS 84 N 0.15 1.18 -0.72 1.57 1.57 -1.03 -0.23 116.57 119.06 1x52 h LYS 84 Ca -0.19 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.51 1x52 h LYS 84 Cb 2.02 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 34.06 1x52 h LYS 84 CO 0.24 0.89 0.48 0.93 -0.57 0.00 0.00 179.45 181.41 1x52 h GLU 85 N 1.18 0.70 -0.47 3.15 4.39 -1.09 -0.12 114.58 122.31 1x52 h GLU 85 Ca 0.29 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1x52 h GLU 85 Cb 0.08 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1x52 h GLU 85 CO -0.04 0.47 0.00 0.09 -1.16 0.00 0.00 179.01 178.36 1x52 n ASN 86 N -4.48 1.96 -1.43 1.42 3.02 -0.49 -4.91 115.26 110.35 1x52 n ASN 86 Ca 0.11 -2.12 -0.17 0.00 -0.03 0.00 0.00 54.58 52.37 1x52 n ASN 86 Cb 0.25 -0.32 -0.07 0.00 -0.61 0.00 0.00 39.78 39.03 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x52 n ALA 87 N 0.30 -0.26 -1.34 5.41 0.00 -0.06 -4.97 120.51 119.59 1x52 n ALA 87 Ca 0.10 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 1x52 n ALA 87 Cb 0.37 -1.79 0.16 0.00 0.00 0.00 0.00 19.45 18.19 1x52 n ALA 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x52 s GLY 88 N -2.48 1.57 0.25 0.00 0.00 -0.22 -4.97 107.32 101.47 1x52 s GLY 88 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 1x52 s GLY 88 CO 0.00 0.13 0.51 -1.59 0.00 0.00 0.00 173.10 172.16 1x52 s THR 89 N -3.12 5.05 0.01 0.90 2.01 0.12 -4.35 115.64 116.26 1x52 s THR 89 Ca 0.65 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.79 1x52 s THR 89 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1x52 s THR 89 CO 0.56 -0.22 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.34 1x52 s VAL 90 N -1.97 1.82 -0.07 3.82 1.01 -1.26 -0.69 120.40 123.07 1x52 s VAL 90 Ca 0.43 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1x52 s VAL 90 Cb -0.11 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1x52 s VAL 90 CO 0.28 0.40 -0.02 -0.13 0.00 0.00 0.00 175.10 175.63 1x52 s ARG 91 N -0.84 0.78 -0.40 2.72 1.81 0.22 -4.89 118.95 118.35 1x52 s ARG 91 Ca 0.09 0.01 -0.08 0.00 -1.72 0.00 0.00 55.73 54.03 1x52 s ARG 91 Cb -0.09 -1.01 0.07 0.00 -0.45 0.00 0.00 34.95 33.47 1x52 s ARG 91 CO 0.00 -0.24 0.22 0.42 -0.68 0.00 0.00 175.30 175.02 1x52 s ILE 92 N 1.68 4.07 0.37 1.52 -1.09 -1.26 -2.30 121.20 124.18 1x52 s ILE 92 Ca 0.01 -1.39 -0.08 0.00 -2.23 0.00 0.00 60.65 56.96 1x52 s ILE 92 Cb -0.13 -3.47 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1x52 s ILE 92 CO -0.04 -0.45 0.70 -0.36 -1.23 0.00 0.00 174.94 173.55 1x52 s PHE 93 N 1.40 3.48 0.03 3.97 0.40 0.03 -4.84 117.98 122.45 1x52 s PHE 93 Ca 0.02 0.87 0.00 0.00 -0.60 0.00 0.00 56.93 57.23 1x52 s PHE 93 Cb -0.22 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1x52 s PHE 93 CO 0.02 -0.03 0.10 -1.12 0.70 0.00 0.00 175.22 174.89 1x52 s SER 94 N -3.28 5.77 0.35 1.36 0.01 -1.26 -0.71 113.70 115.93 1x52 s SER 94 Ca 0.48 0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.90 1x52 s SER 94 Cb -0.10 -1.66 0.65 0.00 0.21 0.00 0.00 66.02 65.12 1x52 s SER 94 CO 0.32 0.23 1.99 -1.28 0.41 0.00 0.00 173.24 174.92 1x52 h SER 95 N 3.73 0.67 0.51 2.44 0.87 -1.97 -3.28 113.55 116.52 1x52 h SER 95 Ca -0.48 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.02 1x52 h SER 95 Cb 1.17 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1x52 h SER 95 CO 0.65 0.52 -0.24 -0.07 -0.53 0.00 0.00 176.83 177.16 1x52 h LEU 96 N 0.78 -0.57 -9.99 2.23 4.07 -1.99 -3.41 115.31 106.41 1x52 h LEU 96 Ca 0.20 -0.06 -0.52 0.00 0.08 0.00 0.00 57.88 57.58 1x52 h LEU 96 Cb -0.03 0.15 0.09 0.00 1.08 0.00 0.00 40.66 41.95 1x52 h LEU 96 CO -0.04 -0.27 0.55 -2.28 -1.08 0.00 0.00 178.44 175.32 1x52 s HIS 97 N -5.18 2.73 0.58 1.13 2.46 -1.24 -4.89 115.29 110.87 1x52 s HIS 97 Ca -0.15 1.46 0.27 0.00 0.47 0.00 0.00 55.06 57.11 1x52 s HIS 97 Cb 0.03 -3.56 1.63 0.00 -0.13 0.00 0.00 32.58 30.54 1x52 s HIS 97 CO 0.55 -1.99 2.14 -0.24 -2.47 0.00 0.00 174.74 172.72 1x52 h VAL 98 N 1.96 0.57 0.00 0.89 3.04 -1.88 0.47 116.25 121.30 1x52 h VAL 98 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1x52 h VAL 98 Cb 1.26 0.89 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1x52 h VAL 98 CO 0.60 0.00 0.16 0.77 -1.01 0.00 0.00 177.57 178.10 1x52 h SER 99 N 0.00 0.00 0.06 3.17 4.64 -1.90 -1.14 113.55 118.38 1x52 h SER 99 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1x52 h SER 99 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1x52 h SER 99 CO -0.00 0.00 -0.03 1.23 -0.87 0.00 0.00 176.83 177.16 1x52 h GLY 100 N 0.00 -0.08 1.82 -0.77 0.00 -0.95 -2.40 103.07 100.68 1x52 h GLY 100 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.39 1x52 h GLY 100 CO 0.00 -0.03 0.07 1.05 0.00 0.00 0.00 176.54 177.63 1x52 h GLU 101 N -0.98 0.00 0.80 4.80 4.11 -1.59 -0.99 114.58 120.73 1x52 h GLU 101 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1x52 h GLU 101 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1x52 h GLU 101 CO 0.01 0.00 -0.38 1.96 0.07 0.00 0.00 179.01 180.67 1x52 h GLN 102 N 0.00 -1.03 -0.20 1.06 1.08 -1.29 -3.03 115.11 111.70 1x52 h GLN 102 Ca 0.04 0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1x52 h GLN 102 Cb 0.17 0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1x52 h GLN 102 CO -0.00 -0.68 0.17 1.25 -0.95 0.00 0.00 178.83 178.62 1x52 h LEU 103 N -1.11 0.00 -1.57 1.46 5.85 -0.73 -2.33 115.31 116.88 1x52 h LEU 103 Ca -0.11 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.71 1x52 h LEU 103 Cb 0.83 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1x52 h LEU 103 CO 0.18 0.00 0.43 0.28 -0.34 0.00 0.00 178.44 178.99 1x52 h SER 104 N 0.00 0.44 0.20 1.25 0.02 -1.09 0.24 113.55 114.61 1x52 h SER 104 Ca 0.10 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1x52 h SER 104 Cb 0.44 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1x52 h SER 104 CO -0.00 0.26 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 1x52 n GLN 105 N -4.48 0.02 -1.49 3.45 6.02 -0.88 -1.99 117.38 118.03 1x52 n GLN 105 Ca 0.11 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1x52 n GLN 105 Cb 0.36 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.20 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x52 n LEU 106 N -1.46 2.14 -1.28 1.08 4.77 0.53 -4.97 117.00 117.82 1x52 n LEU 106 Ca 0.02 -3.13 -0.15 0.00 -0.03 0.00 0.00 56.01 52.72 1x52 n LEU 106 Cb 0.07 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1x52 n LEU 106 CO 0.06 1.08 -0.14 0.35 -1.33 0.00 0.00 177.39 177.41 1x52 n THR 107 N -0.35 0.00 -1.34 -5.08 -2.24 -0.84 -2.20 114.28 102.23 1x52 n THR 107 Ca 0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1x52 n THR 107 Cb 0.92 -1.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.54 1x52 n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x52 n GLY 108 N -0.14 1.26 3.19 3.38 0.00 0.52 -4.91 105.19 108.49 1x52 n GLY 108 Ca -0.15 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 1x52 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x52 s VAL 109 N -2.35 -0.48 0.37 1.61 0.11 -0.93 -1.17 120.40 117.56 1x52 s VAL 109 Ca 0.00 0.19 -0.06 0.00 -2.93 0.00 0.00 61.98 59.18 1x52 s VAL 109 Cb 0.00 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1x52 s VAL 109 CO 0.00 0.08 0.58 0.00 -3.33 0.00 0.00 175.10 172.43 1x52 s ALA 110 N 2.34 0.39 -0.16 1.54 0.00 -0.58 -1.27 121.76 124.01 1x52 s ALA 110 Ca -0.02 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 1x52 s ALA 110 Cb -0.11 1.01 0.08 0.00 0.00 0.00 0.00 23.12 24.10 1x52 s ALA 110 CO -0.11 -0.85 0.76 0.00 0.00 0.00 0.00 175.76 175.56 1x52 s ALA 111 N -2.71 -1.81 0.30 0.00 0.00 -0.06 -0.36 121.76 117.12 1x52 s ALA 111 Ca 0.26 1.66 -0.21 0.00 0.00 0.00 0.00 51.96 53.67 1x52 s ALA 111 Cb -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 1x52 s ALA 111 CO 0.19 -0.34 0.82 0.42 0.00 0.00 0.00 175.76 176.84 1x52 s ILE 112 N -0.48 4.47 0.05 0.00 1.01 0.52 -1.94 121.20 124.83 1x52 s ILE 112 Ca -0.05 1.39 0.08 0.00 0.00 0.00 0.00 60.65 62.07 1x52 s ILE 112 Cb -0.02 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1x52 s ILE 112 CO 0.04 0.04 -0.21 -0.76 0.00 0.00 0.00 174.94 174.05 1x52 s LEU 113 N -2.37 2.48 0.33 2.97 1.43 -0.24 -1.03 118.68 122.25 1x52 s LEU 113 Ca 0.50 -0.50 0.18 0.00 -1.03 0.00 0.00 54.13 53.27 1x52 s LEU 113 Cb -0.15 -1.44 0.31 0.00 0.03 0.00 0.00 46.19 44.94 1x52 s LEU 113 CO 0.20 0.25 1.56 0.03 0.23 0.00 0.00 176.35 178.61 1x52 h ARG 114 N 4.51 0.00 -3.44 1.70 3.08 -1.31 -3.46 114.38 115.47 1x52 h ARG 114 Ca -0.48 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.47 1x52 h ARG 114 Cb 1.15 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.03 1x52 h ARG 114 CO 0.46 0.40 -0.32 -0.59 -1.07 0.00 0.00 179.97 178.85 1x52 s PHE 115 N -3.17 -0.02 -0.21 3.04 -0.12 -1.26 -5.11 117.98 111.13 1x52 s PHE 115 Ca 0.03 -0.16 -0.29 0.00 -0.05 0.00 0.00 56.93 56.46 1x52 s PHE 115 Cb 0.08 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1x52 s PHE 115 CO 0.71 -0.46 1.69 -1.25 -0.05 0.00 0.00 175.22 175.86 1x52 s PRO 116 N -2.56 3.76 0.43 1.99 0.04 -1.26 -4.68 135.00 132.72 1x52 s PRO 116 Ca -0.05 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 1x52 s PRO 116 Cb -0.01 -4.07 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 1x52 s PRO 116 CO -0.04 -1.35 1.41 0.08 0.04 0.00 0.00 177.00 177.15 1x52 s VAL 117 N 5.42 2.17 -1.19 -0.36 1.01 -1.02 -4.86 120.40 121.56 1x52 s VAL 117 Ca 0.75 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.75 1x52 s VAL 117 Cb -0.27 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 1x52 s VAL 117 CO 0.31 0.03 2.26 -0.81 0.00 0.00 0.00 175.10 176.88 1x52 n PRO 118 N -0.00 2.49 0.00 2.72 -0.04 -1.26 -3.61 135.00 135.29 1x52 n PRO 118 Ca 0.04 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1x52 n PRO 118 Cb 0.42 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 1x52 n PRO 118 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x52 n SER 119 N 5.65 0.02 0.00 3.54 7.64 -1.26 -5.17 113.62 124.04 1x52 n SER 119 Ca 0.55 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1x52 n SER 119 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 120 N -0.00 -2.24 0.00 0.23 0.00 -1.24 -4.87 105.19 97.07 1x52 n GLY 120 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1x52 n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x52 n PRO 121 N -0.76 0.00 -3.93 1.61 -0.04 -1.26 -4.24 135.00 126.38 1x52 n PRO 121 Ca 0.00 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1x52 n PRO 121 Cb 0.00 -0.81 -0.01 0.00 -0.04 0.00 0.00 33.50 32.64 1x52 n PRO 121 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x52 s SER 122 N -2.28 0.20 0.20 3.54 1.04 -1.26 -4.01 113.70 111.14 1x52 s SER 122 Ca 0.00 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 1x52 s SER 122 Cb 0.00 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 1x52 s SER 122 CO 0.00 -1.44 0.18 -0.55 0.98 0.00 0.00 173.24 172.41 1x52 s SER 123 N -3.09 0.12 0.00 7.02 0.15 -1.26 -5.14 113.70 111.51 1x52 s SER 123 Ca 0.20 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.55 1x52 s SER 123 Cb -0.03 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1x52 s SER 123 CO 0.13 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.30