#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 0.00 -0.79 1.61 7.64 -1.26 -5.17 113.62 115.66 1x52 n SER 2 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1x52 n SER 2 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1x52 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x52 n SER 3 N 0.00 -4.67 0.00 6.43 3.41 -1.26 -5.08 113.62 112.45 1x52 n SER 3 Ca 0.00 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1x52 n SER 3 Cb 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 64.21 61.83 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 -2.06 -1.31 1.11 5.00 0.00 -1.26 -5.17 105.19 101.50 1x52 n GLY 4 Ca 0.00 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 3.00 -5.23 -2.05 1.61 7.64 -1.26 -5.11 113.62 112.22 1x52 n SER 5 Ca 0.00 0.81 -0.01 0.00 1.01 0.00 0.00 58.87 60.68 1x52 n SER 5 Cb 0.00 -3.65 0.01 0.00 -1.01 0.00 0.00 64.21 59.56 1x52 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x52 n SER 6 N -4.04 -0.68 0.00 6.43 2.88 -1.26 -5.17 113.62 111.78 1x52 n SER 6 Ca -0.04 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.18 1x52 n SER 6 Cb 0.52 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 65.08 1x52 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 7 N -0.34 2.54 2.99 0.46 0.00 -1.26 -5.15 105.19 104.44 1x52 n GLY 7 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x52 s THR 8 N 0.00 -0.87 0.21 2.61 -1.32 -1.26 -5.17 115.64 109.85 1x52 s THR 8 Ca 0.00 -0.32 -0.03 0.00 -1.21 0.00 0.00 61.69 60.13 1x52 s THR 8 Cb 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.96 1x52 s THR 8 CO 0.00 0.00 0.19 0.54 -2.21 0.00 0.00 174.62 173.14 1x52 s VAL 9 N 1.50 0.00 0.17 5.08 0.11 -1.26 -5.18 120.40 120.82 1x52 s VAL 9 Ca 0.21 -1.91 -0.01 0.00 -2.93 0.00 0.00 61.98 57.34 1x52 s VAL 9 Cb -0.01 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.35 1x52 s VAL 9 CO -0.07 0.00 0.10 0.00 -3.33 0.00 0.00 175.10 171.80 1x52 s ALA 10 N -4.11 1.02 -0.35 1.54 0.00 -1.26 -5.15 121.76 113.44 1x52 s ALA 10 Ca 0.36 -1.59 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1x52 s ALA 10 Cb 0.06 1.17 0.17 0.00 0.00 0.00 0.00 23.12 24.51 1x52 s ALA 10 CO 0.12 -0.55 0.47 -1.12 0.00 0.00 0.00 175.76 174.68 1x52 s SER 11 N -3.11 0.00 0.16 0.00 0.01 -1.26 -5.11 113.70 104.39 1x52 s SER 11 Ca 0.32 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1x52 s SER 11 Cb 0.07 1.21 0.00 0.00 0.21 0.00 0.00 66.02 67.51 1x52 s SER 11 CO 0.08 -0.26 0.00 0.54 0.41 0.00 0.00 173.24 174.00 1x52 n ARG 12 N 4.68 -0.88 -3.80 12.44 1.74 -1.26 -5.09 116.66 124.50 1x52 n ARG 12 Ca 0.08 0.72 -0.13 0.00 -0.77 0.00 0.00 57.85 57.75 1x52 n ARG 12 Cb 0.50 -0.99 -0.09 0.00 -1.02 0.00 0.00 32.46 30.86 1x52 n ARG 12 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1x52 s LEU 13 N -4.59 1.08 0.16 0.55 2.34 -1.26 -5.10 118.68 111.86 1x52 s LEU 13 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 54.13 54.17 1x52 s LEU 13 Cb 0.00 1.08 0.00 0.00 -0.56 0.00 0.00 46.19 46.71 1x52 s LEU 13 CO 0.00 -0.43 0.00 -1.20 -1.06 0.00 0.00 176.35 173.66 1x52 n SER 14 N 1.31 -0.92 -4.69 1.48 7.64 -1.26 -5.09 113.62 112.09 1x52 n SER 14 Ca -0.22 0.29 -0.44 0.00 1.01 0.00 0.00 58.87 59.51 1x52 n SER 14 Cb 0.56 1.06 -0.02 0.00 -1.01 0.00 0.00 64.21 64.80 1x52 n SER 14 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1x52 n ASP 15 N -2.89 2.95 -0.10 6.43 5.75 -1.26 -4.96 116.55 122.47 1x52 n ASP 15 Ca 0.00 1.16 -0.24 0.00 -0.01 0.00 0.00 54.79 55.71 1x52 n ASP 15 Cb 0.00 -1.47 -0.12 0.00 -1.03 0.00 0.00 41.12 38.50 1x52 n ASP 15 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1x52 n THR 16 N 1.46 1.57 0.10 2.12 -1.04 -1.26 -3.99 114.28 113.24 1x52 n THR 16 Ca 0.09 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 1x52 n THR 16 Cb 0.34 -1.90 -0.08 0.00 -1.82 0.00 0.00 70.33 66.87 1x52 n THR 16 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1x52 h LYS 17 N -0.74 -0.22 -0.74 -2.82 3.64 -2.00 -2.15 116.57 111.53 1x52 h LYS 17 Ca -0.48 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1x52 h LYS 17 Cb 1.56 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.40 1x52 h LYS 17 CO -0.21 -0.00 0.23 0.00 -2.27 0.00 0.00 179.45 177.19 1x52 h ALA 18 N 0.39 1.00 -0.74 5.00 0.00 -1.95 -2.80 119.26 120.15 1x52 h ALA 18 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1x52 h ALA 18 Cb 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1x52 h ALA 18 CO 0.04 0.67 0.38 0.00 0.00 0.00 0.00 179.25 180.33 1x52 h ALA 19 N 1.13 1.27 -0.02 0.00 0.00 -1.65 0.31 119.26 120.30 1x52 h ALA 19 Ca 0.24 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1x52 h ALA 19 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1x52 h ALA 19 CO -0.01 0.57 -0.68 0.78 0.00 0.00 0.00 179.25 179.92 1x52 h GLY 20 N 1.09 0.13 0.90 0.00 0.00 -1.18 0.56 103.07 104.57 1x52 h GLY 20 Ca 0.26 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1x52 h GLY 20 CO -0.04 0.16 -0.06 0.83 0.00 0.00 0.00 176.54 177.43 1x52 h GLU 21 N 0.08 0.60 -0.51 4.80 5.08 -1.19 -1.17 114.58 122.26 1x52 h GLU 21 Ca -0.01 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1x52 h GLU 21 Cb 1.21 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.37 1x52 h GLU 21 CO 0.10 0.77 0.24 0.28 -1.00 0.00 0.00 179.01 179.39 1x52 h VAL 22 N 0.38 0.92 -0.18 3.13 2.07 -0.80 -0.86 116.25 120.90 1x52 h VAL 22 Ca 0.08 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1x52 h VAL 22 Cb 0.54 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1x52 h VAL 22 CO 0.03 0.08 0.11 0.50 0.02 0.00 0.00 177.57 178.31 1x52 h LYS 23 N 0.46 0.24 -0.84 1.57 3.11 -0.64 0.18 116.57 120.65 1x52 h LYS 23 Ca 0.23 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.07 1x52 h LYS 23 Cb 0.18 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.31 1x52 h LYS 23 CO -0.18 0.20 0.55 0.00 -2.81 0.00 0.00 179.45 177.21 1x52 h ALA 24 N 1.03 1.44 0.06 5.00 0.00 -1.01 0.11 119.26 125.89 1x52 h ALA 24 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x52 h ALA 24 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1x52 h ALA 24 CO -0.01 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.96 1x52 h LEU 25 N 1.09 -0.06 -1.36 0.00 5.85 -0.25 -0.03 115.31 120.55 1x52 h LEU 25 Ca 0.32 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1x52 h LEU 25 Cb -0.06 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1x52 h LEU 25 CO -0.08 0.18 0.04 0.44 -0.34 0.00 0.00 178.44 178.68 1x52 h ASP 26 N -0.31 0.42 -0.18 1.25 5.19 -0.37 0.16 116.42 122.58 1x52 h ASP 26 Ca -0.01 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.25 1x52 h ASP 26 Cb 0.28 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1x52 h ASP 26 CO 0.01 0.47 -0.25 0.44 -3.12 0.00 0.00 179.24 176.79 1x52 h ASP 27 N 0.45 0.54 0.22 6.45 5.19 -0.74 -1.45 116.42 127.07 1x52 h ASP 27 Ca 0.10 -0.51 -0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1x52 h ASP 27 Cb 0.24 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 1x52 h ASP 27 CO 0.00 0.94 -0.15 0.15 -3.12 0.00 0.00 179.24 177.07 1x52 h PHE 28 N 0.15 -0.39 -0.82 4.55 3.04 -0.49 -2.78 116.94 120.20 1x52 h PHE 28 Ca 0.02 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1x52 h PHE 28 Cb 0.82 0.14 -0.04 0.00 2.56 0.00 0.00 35.95 39.43 1x52 h PHE 28 CO 0.09 -0.23 0.47 1.88 -2.02 0.00 0.00 178.31 178.49 1x52 h TYR 29 N -0.36 1.10 -0.67 0.41 0.05 -0.74 0.34 116.97 117.10 1x52 h TYR 29 Ca -0.02 -0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.87 1x52 h TYR 29 Cb 0.31 -0.36 -0.13 0.00 1.01 0.00 0.00 36.73 37.57 1x52 h TYR 29 CO -0.10 0.75 -0.28 -0.22 -1.05 0.00 0.00 178.16 177.26 1x52 h LYS 30 N 1.14 -0.09 -0.17 4.88 3.64 -1.09 0.32 116.57 125.20 1x52 h LYS 30 Ca 0.29 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1x52 h LYS 30 Cb -0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1x52 h LYS 30 CO -0.05 -0.06 0.06 0.52 -2.27 0.00 0.00 179.45 177.65 1x52 h MET 31 N -0.09 0.27 -0.84 1.90 2.86 -0.93 0.14 114.93 118.23 1x52 h MET 31 Ca 0.28 -0.05 0.16 0.00 -2.06 0.00 0.00 59.70 58.03 1x52 h MET 31 Cb 0.55 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 1x52 h MET 31 CO -0.73 0.37 0.55 1.25 1.06 0.00 0.00 176.91 179.41 1x52 h LEU 32 N 0.11 0.48 0.04 1.22 5.85 0.31 0.24 115.31 123.55 1x52 h LEU 32 Ca 0.06 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1x52 h LEU 32 Cb 0.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1x52 h LEU 32 CO -0.00 0.23 -0.02 1.56 -0.34 0.00 0.00 178.44 179.87 1x52 h GLN 33 N 0.50 -0.05 0.00 1.25 1.08 -0.92 -3.40 115.11 113.57 1x52 h GLN 33 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 1x52 h GLN 33 Cb 0.90 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1x52 h GLN 33 CO -0.16 0.29 0.00 0.72 -0.95 0.00 0.00 178.83 178.72 1x52 n HIS 34 N -4.76 0.00 -3.42 2.96 8.25 0.03 -4.71 115.22 113.56 1x52 n HIS 34 Ca -0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.16 1x52 n HIS 34 Cb 0.17 -0.49 -0.08 0.00 1.12 0.00 0.00 29.99 30.71 1x52 n HIS 34 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1x52 n GLU 35 N -1.98 1.93 0.13 -0.41 0.28 0.76 -4.96 120.64 116.40 1x52 n GLU 35 Ca 0.00 -4.25 0.11 0.00 -0.16 0.00 0.00 57.16 52.85 1x52 n GLU 35 Cb 0.00 -1.99 0.50 0.00 1.43 0.00 0.00 31.44 31.38 1x52 n GLU 35 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1x52 n PRO 36 N 1.19 0.16 0.33 3.44 -0.04 -0.69 -1.07 135.00 138.31 1x52 n PRO 36 Ca 0.27 0.51 0.21 0.00 -0.04 0.00 0.00 63.50 64.44 1x52 n PRO 36 Cb 0.43 -1.88 1.11 0.00 -0.04 0.00 0.00 33.50 33.13 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 0.00 -0.66 3.54 5.19 -1.93 -1.71 116.42 120.86 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1x52 h ASP 37 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.66 1x52 n ARG 38 N -3.21 3.62 -3.88 3.56 1.74 -0.23 -3.51 116.66 114.74 1x52 n ARG 38 Ca -0.03 -2.87 -0.29 0.00 -0.77 0.00 0.00 57.85 53.89 1x52 n ARG 38 Cb 0.12 -1.85 -0.16 0.00 -1.02 0.00 0.00 32.46 29.55 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 -1.74 1.67 -0.16 7.54 0.00 -0.64 -1.13 121.76 127.31 1x52 s ALA 39 Ca 0.51 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1x52 s ALA 39 Cb 0.32 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1x52 s ALA 39 CO 0.26 -1.18 -0.01 -0.06 0.00 0.00 0.00 175.76 174.76 1x52 s PHE 40 N 1.53 3.09 0.04 0.00 0.40 -0.63 -4.97 117.98 117.44 1x52 s PHE 40 Ca -0.04 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1x52 s PHE 40 Cb -0.18 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 1x52 s PHE 40 CO -0.07 0.05 -0.02 1.52 0.70 0.00 0.00 175.22 177.41 1x52 s TYR 41 N 0.26 0.42 0.26 0.36 1.13 -1.26 -0.32 117.35 118.19 1x52 s TYR 41 Ca -0.01 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.78 1x52 s TYR 41 Cb -0.13 -0.31 0.00 0.00 -1.10 0.00 0.00 41.96 40.42 1x52 s TYR 41 CO 0.02 -0.32 0.00 0.41 -2.51 0.00 0.00 175.55 173.15 1x52 n GLY 42 N 0.61 -3.81 0.24 5.49 0.00 -0.22 -4.27 105.19 103.23 1x52 n GLY 42 Ca -0.17 -0.94 -0.00 0.00 0.00 0.00 0.00 46.02 44.91 1x52 n GLY 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x52 h LEU 43 N 0.81 -0.56 -1.73 0.99 5.85 -1.91 -0.14 115.31 118.63 1x52 h LEU 43 Ca 0.00 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1x52 h LEU 43 Cb 0.00 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1x52 h LEU 43 CO 0.00 -0.20 0.23 0.50 -0.34 0.00 0.00 178.44 178.63 1x52 h LYS 44 N 0.01 0.34 0.30 1.25 3.64 -2.00 0.82 116.57 120.93 1x52 h LYS 44 Ca 0.31 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1x52 h LYS 44 Cb 0.47 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1x52 h LYS 44 CO -0.64 0.23 -0.14 1.96 -2.27 0.00 0.00 179.45 178.58 1x52 h GLN 45 N 0.35 -0.39 -0.94 1.90 4.20 -1.21 -3.35 115.11 115.67 1x52 h GLN 45 Ca 0.14 0.03 0.19 0.00 0.06 0.00 0.00 58.65 59.07 1x52 h GLN 45 Cb 0.14 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.90 1x52 h GLN 45 CO -0.03 -0.26 0.53 0.28 -0.67 0.00 0.00 178.83 178.68 1x52 h VAL 46 N -0.78 0.66 -0.77 -0.54 2.07 -0.99 0.11 116.25 116.01 1x52 h VAL 46 Ca -0.04 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.41 1x52 h VAL 46 Cb 0.31 -0.05 -0.15 0.00 -1.52 0.00 0.00 31.29 29.89 1x52 h VAL 46 CO 0.07 0.12 -0.17 -0.33 0.02 0.00 0.00 177.57 177.28 1x52 h GLU 47 N 0.65 0.01 -0.22 1.57 5.08 -1.03 -1.27 114.58 119.37 1x52 h GLU 47 Ca 0.55 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.76 1x52 h GLU 47 Cb 0.89 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1x52 h GLU 47 CO -0.41 0.01 -0.47 -0.22 -1.00 0.00 0.00 179.01 176.92 1x52 h LYS 48 N 0.01 0.71 0.00 2.33 1.63 -0.91 -2.60 116.57 117.74 1x52 h LYS 48 Ca 0.38 -0.47 -0.07 0.00 -0.85 0.00 0.00 60.65 59.65 1x52 h LYS 48 Cb 0.59 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1x52 h LYS 48 CO -0.78 1.09 -0.31 0.00 -3.45 0.00 0.00 179.45 175.99 1x52 h ALA 49 N 0.62 1.42 -0.32 5.00 0.00 -1.12 -2.01 119.26 122.84 1x52 h ALA 49 Ca 0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1x52 h ALA 49 Cb 1.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1x52 h ALA 49 CO 0.10 0.39 -0.35 -0.97 0.00 0.00 0.00 179.25 178.43 1x52 h ASN 50 N 0.00 0.75 0.18 0.00 -1.24 -1.04 -1.69 115.58 112.54 1x52 h ASN 50 Ca -0.00 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1x52 h ASN 50 Cb 0.58 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.42 1x52 h ASN 50 CO 0.04 1.03 0.00 -0.62 -1.29 0.00 0.00 177.43 176.59 1x52 n GLU 51 N -4.06 0.07 -0.00 6.67 1.02 -0.80 -1.09 120.64 122.44 1x52 n GLU 51 Ca -0.01 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.50 1x52 n GLU 51 Cb 0.50 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.51 1x52 n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x52 n ALA 52 N -1.36 2.46 -0.73 0.62 0.00 -0.77 -4.97 120.51 115.77 1x52 n ALA 52 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1x52 n ALA 52 Cb 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 1.11 -1.64 0.22 0.00 2.81 -0.25 -4.83 117.12 114.53 1x52 n MET 53 Ca 0.12 0.33 0.14 0.00 -1.81 0.00 0.00 57.70 56.47 1x52 n MET 53 Cb 0.49 -4.37 0.44 0.00 -0.71 0.00 0.00 33.22 29.07 1x52 n MET 53 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x52 h ALA 54 N 0.00 1.00 -2.06 3.04 0.00 -1.57 -3.44 119.26 116.23 1x52 h ALA 54 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 1x52 h ALA 54 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1x52 h ALA 54 CO 0.00 0.00 1.13 0.42 0.00 0.00 0.00 179.25 180.80 1x52 s ILE 55 N -3.38 3.68 -0.12 0.00 1.01 -1.25 -0.31 121.20 120.83 1x52 s ILE 55 Ca 0.05 0.77 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 1x52 s ILE 55 Cb 0.08 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 1x52 s ILE 55 CO 0.58 -0.26 0.33 -0.78 0.00 0.00 0.00 174.94 174.81 1x52 h ASP 56 N 10.62 -0.01 -3.78 3.58 3.58 -1.50 -3.39 116.42 125.52 1x52 h ASP 56 Ca -0.34 -0.41 -0.42 0.00 0.42 0.00 0.00 57.03 56.27 1x52 h ASP 56 Cb 1.16 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.90 1x52 h ASP 56 CO 0.99 0.70 -0.78 -0.89 -2.88 0.00 0.00 179.24 176.38 1x52 s THR 57 N -1.87 0.73 -0.12 2.25 2.01 -1.23 -0.25 115.64 117.16 1x52 s THR 57 Ca -0.08 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1x52 s THR 57 Cb -0.01 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1x52 s THR 57 CO 0.29 0.23 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.17 1x52 s LEU 58 N 0.25 3.15 -0.16 4.42 2.96 -0.07 -0.57 118.68 128.65 1x52 s LEU 58 Ca -0.04 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1x52 s LEU 58 Cb -0.09 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1x52 s LEU 58 CO 0.00 0.23 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.47 1x52 s LEU 59 N -0.02 3.23 -0.05 -0.68 1.43 0.58 -0.67 118.68 122.49 1x52 s LEU 59 Ca -0.00 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1x52 s LEU 59 Cb -0.13 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.33 1x52 s LEU 59 CO 0.03 0.16 0.13 -0.51 0.23 0.00 0.00 176.35 176.39 1x52 s ILE 60 N 0.43 -0.02 0.12 -0.59 2.07 -0.67 -0.90 121.20 121.64 1x52 s ILE 60 Ca -0.04 0.07 -0.31 0.00 -1.41 0.00 0.00 60.65 58.96 1x52 s ILE 60 Cb -0.14 -0.21 -0.09 0.00 0.13 0.00 0.00 42.46 42.15 1x52 s ILE 60 CO 0.03 0.03 1.57 -0.55 -1.91 0.00 0.00 174.94 174.10 1x52 s SER 61 N 0.47 6.63 0.42 4.50 0.15 0.29 -0.57 113.70 125.58 1x52 s SER 61 Ca -0.03 2.52 0.10 0.00 0.70 0.00 0.00 55.95 59.24 1x52 s SER 61 Cb -0.05 -2.58 0.93 0.00 -1.71 0.00 0.00 66.02 62.61 1x52 s SER 61 CO -0.02 -0.82 2.01 -2.24 1.20 0.00 0.00 173.24 173.37 1x52 h ASP 62 N 7.33 0.44 -1.02 5.45 3.04 -1.12 -0.34 116.42 130.19 1x52 h ASP 62 Ca -0.42 -0.00 0.34 0.00 -3.24 0.00 0.00 57.03 53.71 1x52 h ASP 62 Cb 1.20 -0.10 -0.15 0.00 -1.04 0.00 0.00 39.33 39.25 1x52 h ASP 62 CO 0.91 0.29 0.58 1.05 -2.04 0.00 0.00 179.24 180.04 1x52 h GLU 63 N 0.50 0.25 0.05 4.15 4.11 -1.91 0.62 114.58 122.35 1x52 h GLU 63 Ca 0.23 -0.01 -0.20 0.00 0.07 0.00 0.00 59.36 59.44 1x52 h GLU 63 Cb 0.26 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1x52 h GLU 63 CO -0.06 0.16 -0.83 -0.07 0.07 0.00 0.00 179.01 178.28 1x52 h LEU 64 N 0.26 0.64 -2.33 3.06 3.38 -1.42 -0.90 115.31 118.00 1x52 h LEU 64 Ca 0.76 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x52 h LEU 64 Cb 1.82 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.38 1x52 h LEU 64 CO -0.62 1.38 0.22 0.15 0.09 0.00 0.00 178.44 179.66 1x52 h PHE 65 N -0.02 0.00 -0.02 1.13 3.57 -0.80 -2.06 116.94 118.74 1x52 h PHE 65 Ca -0.12 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.28 1x52 h PHE 65 Cb 1.55 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 40.08 1x52 h PHE 65 CO 0.15 0.00 -0.79 2.89 -2.23 0.00 0.00 178.31 178.33 1x52 n ARG 66 N -2.96 0.83 -1.64 1.11 1.85 -0.21 -4.82 116.66 110.81 1x52 n ARG 66 Ca -0.02 -2.67 -0.38 0.00 -1.00 0.00 0.00 57.85 53.78 1x52 n ARG 66 Cb 0.28 -0.82 0.05 0.00 -1.05 0.00 0.00 32.46 30.93 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1x52 n HIS 67 N -0.29 1.11 0.09 2.89 -0.00 -0.35 -4.92 115.22 113.75 1x52 n HIS 67 Ca 0.13 0.43 -0.05 0.00 0.46 0.00 0.00 57.72 58.69 1x52 n HIS 67 Cb 0.93 -2.18 0.10 0.00 -0.12 0.00 0.00 29.99 28.72 1x52 n HIS 67 CO 0.00 0.00 0.00 -0.56 0.46 0.00 0.00 176.34 176.24 1x52 h GLN 68 N 0.56 0.21 -6.22 1.57 -0.00 -1.92 -3.42 115.11 105.89 1x52 h GLN 68 Ca -0.49 -0.16 -0.59 0.00 -0.00 0.00 0.00 58.65 57.42 1x52 h GLN 68 Cb 1.36 0.03 -0.09 0.00 -0.00 0.00 0.00 27.48 28.78 1x52 h GLN 68 CO 0.52 0.79 0.69 0.34 -0.00 0.00 0.00 178.83 181.16 1x52 s ASP 69 N -6.90 6.69 0.35 0.06 -1.08 -1.26 -4.94 116.67 109.60 1x52 s ASP 69 Ca -0.03 0.59 0.04 0.00 -0.52 0.00 0.00 52.55 52.63 1x52 s ASP 69 Cb 0.12 -2.49 0.68 0.00 -1.46 0.00 0.00 42.92 39.77 1x52 s ASP 69 CO 0.80 -0.94 1.97 0.58 0.52 0.00 0.00 175.17 178.10 1x52 h VAL 70 N 5.90 1.08 -0.10 1.11 2.07 -1.99 0.42 116.25 124.73 1x52 h VAL 70 Ca -0.23 -0.28 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 1x52 h VAL 70 Cb 1.07 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1x52 h VAL 70 CO 1.02 0.15 -0.50 0.00 0.02 0.00 0.00 177.57 178.25 1x52 h ALA 71 N 1.59 0.19 -0.01 1.67 0.00 -1.94 0.29 119.26 121.06 1x52 h ALA 71 Ca 0.29 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1x52 h ALA 71 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1x52 h ALA 71 CO -0.09 0.38 -0.17 1.15 0.00 0.00 0.00 179.25 180.52 1x52 h THR 72 N 0.10 0.58 -0.11 0.00 2.02 -1.83 -0.31 112.91 113.37 1x52 h THR 72 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1x52 h THR 72 Cb 1.15 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.09 1x52 h THR 72 CO 0.10 0.00 -0.24 -0.09 0.37 0.00 0.00 175.52 175.66 1x52 h ARG 73 N -0.28 -0.31 -0.69 6.66 2.43 -0.95 -2.96 114.38 118.29 1x52 h ARG 73 Ca 0.06 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.36 1x52 h ARG 73 Cb 0.35 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 1x52 h ARG 73 CO -0.17 -0.21 0.28 1.03 -1.51 0.00 0.00 179.97 179.40 1x52 h SER 74 N -0.32 0.30 0.04 -3.80 0.87 0.57 -0.06 113.55 111.15 1x52 h SER 74 Ca 0.09 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1x52 h SER 74 Cb 0.46 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 1x52 h SER 74 CO -0.29 0.15 -0.24 0.03 -0.53 0.00 0.00 176.83 175.95 1x52 h ARG 75 N 0.47 -0.38 0.57 2.24 3.08 -0.93 0.17 114.38 119.60 1x52 h ARG 75 Ca 0.36 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1x52 h ARG 75 Cb 0.47 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1x52 h ARG 75 CO -0.34 -0.25 -0.38 1.88 -1.07 0.00 0.00 179.97 179.82 1x52 h TYR 76 N -0.40 -1.00 -0.03 3.04 0.05 -1.08 -0.28 116.97 117.27 1x52 h TYR 76 Ca 0.05 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1x52 h TYR 76 Cb 0.46 0.36 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1x52 h TYR 76 CO -0.26 -0.56 -0.22 -0.39 -1.05 0.00 0.00 178.16 175.68 1x52 h VAL 77 N -0.91 1.17 0.69 -2.88 -1.51 -0.80 0.93 116.25 112.94 1x52 h VAL 77 Ca -0.07 -0.80 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 1x52 h VAL 77 Cb 0.75 1.39 0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1x52 h VAL 77 CO 0.05 0.23 -0.33 0.03 -1.23 0.00 0.00 177.57 176.33 1x52 h ARG 78 N 0.04 -0.89 -0.99 5.19 3.08 -0.60 -2.47 114.38 117.74 1x52 h ARG 78 Ca 0.01 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.28 1x52 h ARG 78 Cb 0.41 0.20 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 1x52 h ARG 78 CO 0.03 -0.59 0.62 1.25 -1.07 0.00 0.00 179.97 180.21 1x52 h LEU 79 N -1.24 0.82 -0.04 3.04 5.85 -0.62 0.17 115.31 123.30 1x52 h LEU 79 Ca -0.09 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1x52 h LEU 79 Cb 0.71 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1x52 h LEU 79 CO 0.16 0.36 -0.21 0.58 -0.34 0.00 0.00 178.44 178.98 1x52 h VAL 80 N 0.83 0.49 -0.32 1.05 2.07 -0.85 0.57 116.25 120.10 1x52 h VAL 80 Ca 0.54 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.95 1x52 h VAL 80 Cb 0.74 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1x52 h VAL 80 CO -0.32 0.00 -0.24 -0.78 0.02 0.00 0.00 177.57 176.26 1x52 h ASP 81 N -0.32 0.63 0.73 0.57 3.58 -0.49 -2.23 116.42 118.89 1x52 h ASP 81 Ca 0.07 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.26 1x52 h ASP 81 Cb 0.42 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1x52 h ASP 81 CO -0.22 0.86 -0.21 0.28 -2.88 0.00 0.00 179.24 177.06 1x52 h SER 82 N 0.55 0.00 -0.16 2.28 0.02 -0.50 0.15 113.55 115.89 1x52 h SER 82 Ca 0.08 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1x52 h SER 82 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1x52 h SER 82 CO 0.05 0.21 -0.38 0.58 -1.14 0.00 0.00 176.83 176.16 1x52 h VAL 83 N 0.00 1.35 -0.63 2.27 2.07 -0.57 -2.44 116.25 118.31 1x52 h VAL 83 Ca -0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1x52 h VAL 83 Cb 0.63 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1x52 h VAL 83 CO 0.03 0.50 0.36 0.11 0.02 0.00 0.00 177.57 178.59 1x52 h LYS 84 N 0.17 0.86 -0.77 1.57 1.57 -0.73 0.13 116.57 119.37 1x52 h LYS 84 Ca -0.00 -0.09 0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1x52 h LYS 84 Cb 0.98 -0.18 -0.09 0.00 0.08 0.00 0.00 32.23 33.02 1x52 h LYS 84 CO 0.08 0.63 0.32 0.93 -0.57 0.00 0.00 179.45 180.84 1x52 h GLU 85 N 0.85 0.46 -0.95 3.15 4.39 -0.80 -1.24 114.58 120.44 1x52 h GLU 85 Ca 0.22 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.82 1x52 h GLU 85 Cb 0.00 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 1x52 h GLU 85 CO -0.04 0.30 0.10 0.09 -1.16 0.00 0.00 179.01 178.30 1x52 n ASN 86 N -4.98 2.78 -1.63 1.42 3.02 -0.66 -4.84 115.26 110.37 1x52 n ASN 86 Ca 0.15 -2.35 -0.21 0.00 -0.03 0.00 0.00 54.58 52.14 1x52 n ASN 86 Cb 0.42 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.11 -0.33 -1.93 5.41 0.00 -0.47 -4.95 120.51 118.35 1x52 n ALA 87 Ca 0.12 0.33 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 1x52 n ALA 87 Cb 0.67 -2.05 0.11 0.00 0.00 0.00 0.00 19.45 18.18 1x52 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x52 n GLY 88 N -0.46 -0.61 3.37 0.00 0.00 0.35 -4.98 105.19 102.85 1x52 n GLY 88 Ca -0.21 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 1x52 n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x52 s THR 89 N -2.56 2.09 -0.09 2.61 2.01 0.65 -4.42 115.64 115.94 1x52 s THR 89 Ca 0.48 -1.83 0.00 0.00 0.31 0.00 0.00 61.69 60.65 1x52 s THR 89 Cb -0.02 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.60 1x52 s THR 89 CO 0.33 -0.09 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.41 1x52 s VAL 90 N -1.47 0.91 -0.19 3.82 1.01 -1.26 -0.89 120.40 122.33 1x52 s VAL 90 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1x52 s VAL 90 Cb -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.39 1x52 s VAL 90 CO 0.07 0.33 -0.13 -0.13 0.00 0.00 0.00 175.10 175.24 1x52 s ARG 91 N 1.34 3.19 -0.41 2.72 1.81 0.16 -4.98 118.95 122.77 1x52 s ARG 91 Ca -0.03 -0.74 -0.13 0.00 -1.72 0.00 0.00 55.73 53.12 1x52 s ARG 91 Cb -0.14 -2.74 0.04 0.00 -0.45 0.00 0.00 34.95 31.66 1x52 s ARG 91 CO -0.03 -0.15 0.28 0.42 -0.68 0.00 0.00 175.30 175.14 1x52 s ILE 92 N 1.24 4.84 -0.19 1.52 -1.09 -1.26 -1.67 121.20 124.59 1x52 s ILE 92 Ca 0.03 -0.95 -0.21 0.00 -2.23 0.00 0.00 60.65 57.29 1x52 s ILE 92 Cb -0.14 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 1x52 s ILE 92 CO -0.06 -0.38 0.62 -0.36 -1.23 0.00 0.00 174.94 173.53 1x52 s PHE 93 N 1.58 3.39 -0.04 3.97 0.40 0.26 -4.85 117.98 122.68 1x52 s PHE 93 Ca 0.03 0.93 -0.30 0.00 -0.60 0.00 0.00 56.93 56.99 1x52 s PHE 93 Cb -0.21 -2.78 -0.04 0.00 0.51 0.00 0.00 43.02 40.49 1x52 s PHE 93 CO 0.07 -0.15 1.38 -1.12 0.70 0.00 0.00 175.22 176.10 1x52 s SER 94 N 1.16 6.87 0.28 1.36 0.01 -1.26 -0.50 113.70 121.61 1x52 s SER 94 Ca 0.29 2.01 0.02 0.00 1.31 0.00 0.00 55.95 59.57 1x52 s SER 94 Cb -0.16 -2.55 0.64 0.00 0.21 0.00 0.00 66.02 64.16 1x52 s SER 94 CO 0.11 -0.73 1.72 -1.28 0.41 0.00 0.00 173.24 173.46 1x52 h SER 95 N 8.07 0.40 -0.85 2.44 0.87 -1.95 -2.35 113.55 120.18 1x52 h SER 95 Ca -0.35 0.13 0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1x52 h SER 95 Cb 1.16 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 1x52 h SER 95 CO 0.92 0.08 0.55 -0.07 -0.53 0.00 0.00 176.83 177.78 1x52 h LEU 96 N 0.48 0.70-10.13 2.23 -0.00 -1.98 -3.39 115.31 103.22 1x52 h LEU 96 Ca 0.52 0.02 -0.49 0.00 -0.00 0.00 0.00 57.88 57.93 1x52 h LEU 96 Cb 0.89 -0.12 0.06 0.00 -0.00 0.00 0.00 40.66 41.49 1x52 h LEU 96 CO -0.46 0.40 0.39 -2.28 -0.00 0.00 0.00 178.44 176.49 1x52 s HIS 97 N -5.72 2.86 0.48 1.13 2.46 -0.88 -4.93 115.29 110.69 1x52 s HIS 97 Ca -0.10 1.55 0.23 0.00 0.47 0.00 0.00 55.06 57.20 1x52 s HIS 97 Cb 0.21 -3.12 1.25 0.00 -0.13 0.00 0.00 32.58 30.80 1x52 s HIS 97 CO 0.79 -1.22 1.90 -0.24 -2.47 0.00 0.00 174.74 173.50 1x52 h VAL 98 N 0.93 0.67 -0.27 0.89 3.04 -1.88 0.71 116.25 120.33 1x52 h VAL 98 Ca -0.48 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.07 1x52 h VAL 98 Cb 1.23 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 30.93 1x52 h VAL 98 CO 0.57 0.04 -0.10 0.28 -1.01 0.00 0.00 177.57 177.35 1x52 h SER 99 N 0.21 0.43 -0.07 3.17 0.02 -1.92 0.90 113.55 116.30 1x52 h SER 99 Ca 0.40 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1x52 h SER 99 Cb 1.25 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1x52 h SER 99 CO -0.09 0.58 0.02 1.23 -1.14 0.00 0.00 176.83 177.43 1x52 h GLY 100 N 0.88 0.09 1.17 -3.77 0.00 -1.02 -1.20 103.07 99.22 1x52 h GLY 100 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1x52 h GLY 100 CO 0.02 0.01 0.18 0.83 0.00 0.00 0.00 176.54 177.58 1x52 h GLU 101 N 0.06 1.03 -0.29 4.80 4.39 -1.18 0.79 114.58 124.19 1x52 h GLU 101 Ca 0.03 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1x52 h GLU 101 Cb 0.02 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 1x52 h GLU 101 CO -0.03 0.90 0.18 1.96 -1.16 0.00 0.00 179.01 180.86 1x52 h GLN 102 N 0.98 0.36 0.00 2.33 4.20 -0.79 -2.58 115.11 119.62 1x52 h GLN 102 Ca 0.21 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1x52 h GLN 102 Cb 0.32 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1x52 h GLN 102 CO -0.00 0.24 -0.15 1.25 -0.67 0.00 0.00 178.83 179.50 1x52 h LEU 103 N 0.37 0.00 -1.58 1.46 5.85 0.05 -2.94 115.31 118.52 1x52 h LEU 103 Ca 0.11 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1x52 h LEU 103 Cb -0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1x52 h LEU 103 CO -0.03 0.15 0.29 0.28 -0.34 0.00 0.00 178.44 178.79 1x52 h SER 104 N 0.00 0.49 0.13 1.25 0.02 -0.47 0.32 113.55 115.29 1x52 h SER 104 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1x52 h SER 104 Cb 0.28 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1x52 h SER 104 CO 0.02 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 176.06 1x52 n GLN 105 N -4.47 0.20 -0.44 3.45 6.02 -1.11 -1.40 117.38 119.63 1x52 n GLN 105 Ca 0.04 0.13 0.06 0.00 -0.01 0.00 0.00 57.00 57.22 1x52 n GLN 105 Cb 0.07 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.20 1.65 0.00 1.08 4.77 0.58 -4.98 117.00 118.91 1x52 n LEU 106 Ca 0.06 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 1x52 n LEU 106 Cb 0.07 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1x52 n LEU 106 CO 0.07 0.70 0.00 0.35 -1.33 0.00 0.00 177.39 177.18 1x52 n THR 107 N -0.78 0.00 -0.92 -5.08 -2.24 -0.49 -3.01 114.28 101.75 1x52 n THR 107 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1x52 n THR 107 Cb 0.72 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.86 0.46 2.90 3.38 0.00 0.82 -4.86 105.19 106.02 1x52 n GLY 108 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 -0.05 0.29 1.61 0.11 -1.16 -0.55 120.40 118.64 1x52 s VAL 109 Ca 0.00 0.19 -0.08 0.00 -2.93 0.00 0.00 61.98 59.16 1x52 s VAL 109 Cb 0.00 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1x52 s VAL 109 CO 0.00 0.08 0.46 0.00 -3.33 0.00 0.00 175.10 172.31 1x52 s ALA 110 N 1.18 0.28 0.03 1.54 0.00 -0.08 -1.05 121.76 123.67 1x52 s ALA 110 Ca -0.09 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.40 1x52 s ALA 110 Cb -0.12 1.11 0.06 0.00 0.00 0.00 0.00 23.12 24.18 1x52 s ALA 110 CO -0.06 -0.81 0.60 0.00 0.00 0.00 0.00 175.76 175.49 1x52 s ALA 111 N -3.54 -1.55 -0.02 0.00 0.00 0.56 -0.31 121.76 116.90 1x52 s ALA 111 Ca 0.27 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.04 1x52 s ALA 111 Cb -0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1x52 s ALA 111 CO 0.14 -0.50 0.19 0.42 0.00 0.00 0.00 175.76 176.00 1x52 s ILE 112 N -2.21 5.43 -0.10 0.00 1.01 0.26 -1.61 121.20 123.98 1x52 s ILE 112 Ca -0.06 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1x52 s ILE 112 Cb -0.01 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1x52 s ILE 112 CO 0.01 0.38 -0.19 -0.76 0.00 0.00 0.00 174.94 174.38 1x52 s LEU 113 N -1.77 2.41 0.36 2.97 1.43 -0.28 -1.34 118.68 122.47 1x52 s LEU 113 Ca 0.25 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 1x52 s LEU 113 Cb -0.13 -1.50 0.86 0.00 0.03 0.00 0.00 46.19 45.45 1x52 s LEU 113 CO 0.16 0.19 1.86 0.03 0.23 0.00 0.00 176.35 178.82 1x52 h ARG 114 N 6.54 0.62 -3.53 1.70 3.08 -0.99 -3.44 114.38 118.36 1x52 h ARG 114 Ca -0.25 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 1x52 h ARG 114 Cb 1.21 -0.14 -0.15 0.00 0.08 0.00 0.00 29.97 30.97 1x52 h ARG 114 CO 0.51 0.41 -0.28 -0.59 -1.07 0.00 0.00 179.97 178.95 1x52 s PHE 115 N -5.64 -0.01 0.43 3.04 -0.12 -1.26 -5.12 117.98 109.30 1x52 s PHE 115 Ca -0.10 -0.27 -0.25 0.00 -0.05 0.00 0.00 56.93 56.26 1x52 s PHE 115 Cb 0.22 0.05 -0.08 0.00 -0.63 0.00 0.00 43.02 42.58 1x52 s PHE 115 CO 0.79 -0.54 1.24 -1.25 -0.05 0.00 0.00 175.22 175.41 1x52 s PRO 116 N -3.22 3.88 -0.22 1.99 0.04 -1.26 -4.79 135.00 131.41 1x52 s PRO 116 Ca -0.00 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1x52 s PRO 116 Cb 0.02 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1x52 s PRO 116 CO -0.08 -0.51 0.38 0.08 0.04 0.00 0.00 177.00 176.91 1x52 s VAL 117 N -1.36 5.20 -0.09 -0.36 1.01 -1.23 -5.02 120.40 118.55 1x52 s VAL 117 Ca 0.59 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 1x52 s VAL 117 Cb -0.34 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1x52 s VAL 117 CO 0.43 0.23 1.52 -2.16 0.00 0.00 0.00 175.10 175.13 1x52 s PRO 118 N 1.47 4.20 0.00 2.72 0.04 -1.26 -4.73 135.00 137.44 1x52 s PRO 118 Ca 0.18 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1x52 s PRO 118 Cb -0.15 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1x52 s PRO 118 CO 0.08 -0.79 0.00 0.45 0.04 0.00 0.00 177.00 176.78 1x52 n SER 119 N 6.92 0.00 0.00 6.66 2.88 -1.26 -5.15 113.62 123.66 1x52 n SER 119 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1x52 n SER 119 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1x52 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 120 N 1.18 -1.19 3.71 0.46 0.00 -1.26 -5.16 105.19 102.93 1x52 n GLY 120 Ca 0.00 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1x52 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x52 s PRO 121 N -0.02 1.91 0.00 1.61 0.04 -1.26 -4.96 135.00 132.32 1x52 s PRO 121 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1x52 s PRO 121 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1x52 s PRO 121 CO 0.00 -2.00 0.00 0.43 0.04 0.00 0.00 177.00 175.47 1x52 n SER 122 N -3.06 0.00 0.00 6.66 7.64 -1.26 -5.04 113.62 118.56 1x52 n SER 122 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1x52 n SER 122 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1x52 n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x52 n SER 123 N -1.31 0.00 0.00 6.43 2.88 -1.26 -5.16 113.62 115.20 1x52 n SER 123 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x52 n SER 123 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42