#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 h SER 2 N 0.00 0.70 0.00 1.61 4.64 -1.52 -3.48 113.55 115.51 1x52 h SER 2 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1x52 h SER 2 Cb 0.00 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 1x52 h SER 2 CO 0.00 0.64 0.00 -1.20 -0.87 0.00 0.00 176.83 175.40 1x52 n SER 3 N -4.34 -0.96 0.00 4.97 7.64 -1.26 -4.95 113.62 114.72 1x52 n SER 3 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1x52 n SER 3 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x52 n GLY 4 N 0.00 2.20 2.15 0.23 0.00 -1.26 -4.90 105.19 103.62 1x52 n GLY 4 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 1.84 -5.15 -0.03 1.61 7.64 -1.26 -5.13 113.62 113.13 1x52 n SER 5 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1x52 n SER 5 Cb 0.00 -3.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.91 1x52 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x52 n SER 6 N 0.17 0.73 0.00 6.43 3.41 -1.26 -5.18 113.62 117.92 1x52 n SER 6 Ca 0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1x52 n SER 6 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1x52 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x52 n GLY 7 N 1.82 1.89 3.63 5.00 0.00 -1.26 -5.12 105.19 111.15 1x52 n GLY 7 Ca 0.00 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 1x52 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x52 s THR 8 N -1.50 1.07 -0.35 2.61 2.01 -1.26 -5.10 115.64 113.12 1x52 s THR 8 Ca 0.00 -2.00 0.15 0.00 0.31 0.00 0.00 61.69 60.15 1x52 s THR 8 Cb 0.00 -2.39 0.42 0.00 0.01 0.00 0.00 72.50 70.54 1x52 s THR 8 CO 0.00 0.00 0.89 0.55 -0.69 0.00 0.00 174.62 175.37 1x52 n VAL 9 N -1.05 0.81 -2.03 3.82 3.14 -1.26 -5.12 118.33 116.64 1x52 n VAL 9 Ca -0.11 -3.74 -0.40 0.00 -2.96 0.00 0.00 64.34 57.13 1x52 n VAL 9 Cb 0.66 0.18 -0.01 0.00 -1.06 0.00 0.00 33.84 33.61 1x52 n VAL 9 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x52 s ALA 10 N -2.95 3.30 0.04 1.55 0.00 -1.26 -5.06 121.76 117.39 1x52 s ALA 10 Ca 0.33 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 1x52 s ALA 10 Cb 0.42 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1x52 s ALA 10 CO -0.02 -0.83 0.07 -1.54 0.00 0.00 0.00 175.76 173.44 1x52 s SER 11 N -0.66 0.24 -0.28 0.00 1.04 -1.26 -4.95 113.70 107.83 1x52 s SER 11 Ca 0.56 -0.64 -0.19 0.00 0.48 0.00 0.00 55.95 56.16 1x52 s SER 11 Cb -0.39 0.22 0.08 0.00 0.10 0.00 0.00 66.02 66.03 1x52 s SER 11 CO 0.51 -0.53 0.71 -0.60 0.98 0.00 0.00 173.24 174.30 1x52 s ARG 12 N -2.91 0.75 1.36 4.02 3.00 -1.26 -5.13 118.95 118.79 1x52 s ARG 12 Ca -0.02 1.14 0.00 0.00 -1.00 0.00 0.00 55.73 55.84 1x52 s ARG 12 Cb 0.01 0.24 0.00 0.00 0.00 0.00 0.00 34.95 35.20 1x52 s ARG 12 CO -0.06 -0.13 0.00 1.28 0.00 0.00 0.00 175.30 176.39 1x52 n LEU 13 N 3.71 0.00 0.07 -0.88 7.99 -1.26 -4.95 117.00 121.68 1x52 n LEU 13 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 1x52 n LEU 13 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1x52 n LEU 13 CO -0.00 -0.79 0.00 -0.24 -1.51 0.00 0.00 177.39 174.84 1x52 n SER 14 N -3.38 -0.73 -0.56 -1.43 2.88 -1.26 -5.05 113.62 104.09 1x52 n SER 14 Ca 0.00 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1x52 n SER 14 Cb 0.00 0.85 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1x52 n SER 14 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1x52 n ASP 15 N -2.88 -4.34 0.00 -3.46 2.03 -1.26 -1.33 116.55 105.31 1x52 n ASP 15 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1x52 n ASP 15 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1x52 n ASP 15 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1x52 n THR 16 N -1.12 0.00 -0.12 5.18 -1.04 -1.26 -4.02 114.28 111.90 1x52 n THR 16 Ca 0.00 0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 62.18 1x52 n THR 16 Cb 0.00 -1.09 -0.03 0.00 -1.82 0.00 0.00 70.33 67.39 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 0.00 0.63 -0.73 -2.82 3.64 -2.02 -2.34 116.57 112.93 1x52 h LYS 17 Ca 0.00 -0.22 0.16 0.00 -1.27 0.00 0.00 60.65 59.32 1x52 h LYS 17 Cb 0.00 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 31.67 1x52 h LYS 17 CO 0.00 0.78 0.17 0.00 -2.27 0.00 0.00 179.45 178.13 1x52 h ALA 18 N 0.83 0.94 -0.16 5.00 0.00 -1.85 -1.94 119.26 122.08 1x52 h ALA 18 Ca 0.09 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1x52 h ALA 18 Cb 0.52 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1x52 h ALA 18 CO 0.03 -0.34 -0.18 0.00 0.00 0.00 0.00 179.25 178.76 1x52 h ALA 19 N 1.60 1.41 -0.30 0.00 0.00 -0.65 0.18 119.26 121.51 1x52 h ALA 19 Ca 0.41 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1x52 h ALA 19 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1x52 h ALA 19 CO -0.51 0.41 -0.14 0.78 0.00 0.00 0.00 179.25 179.79 1x52 h GLY 20 N 0.85 0.67 0.89 0.00 0.00 -1.22 -0.20 103.07 104.06 1x52 h GLY 20 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1x52 h GLY 20 CO 0.03 0.55 -0.08 0.83 0.00 0.00 0.00 176.54 177.86 1x52 h GLU 21 N 0.37 -0.23 -0.80 4.80 3.07 -1.30 -2.63 114.58 117.86 1x52 h GLU 21 Ca 0.07 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.99 1x52 h GLU 21 Cb 0.66 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.57 1x52 h GLU 21 CO 0.04 -0.06 0.49 0.28 -1.40 0.00 0.00 179.01 178.36 1x52 h VAL 22 N -0.34 1.06 -0.07 3.13 2.07 -0.95 -1.25 116.25 119.89 1x52 h VAL 22 Ca -0.02 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1x52 h VAL 22 Cb 0.27 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1x52 h VAL 22 CO 0.04 0.17 0.02 0.50 0.02 0.00 0.00 177.57 178.32 1x52 h LYS 23 N 0.92 0.05 -0.97 1.57 3.64 -0.95 -0.03 116.57 120.81 1x52 h LYS 23 Ca 0.34 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 1x52 h LYS 23 Cb 0.12 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 1x52 h LYS 23 CO -0.15 0.03 0.62 0.00 -2.27 0.00 0.00 179.45 177.68 1x52 h ALA 24 N 1.05 1.35 0.02 5.00 0.00 -1.01 0.12 119.26 125.79 1x52 h ALA 24 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1x52 h ALA 24 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1x52 h ALA 24 CO -0.04 0.38 -0.01 1.25 0.00 0.00 0.00 179.25 180.83 1x52 h LEU 25 N 1.10 -0.03 -1.47 0.00 5.85 -0.77 -0.16 115.31 119.84 1x52 h LEU 25 Ca 0.42 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1x52 h LEU 25 Cb 0.20 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1x52 h LEU 25 CO -0.18 0.02 0.06 -0.78 -0.34 0.00 0.00 178.44 177.22 1x52 h ASP 26 N -0.07 0.37 0.05 1.25 3.58 0.14 0.14 116.42 121.88 1x52 h ASP 26 Ca -0.00 -0.04 -0.18 0.00 0.42 0.00 0.00 57.03 57.22 1x52 h ASP 26 Cb 0.07 -0.10 0.02 0.00 1.72 0.00 0.00 39.33 41.04 1x52 h ASP 26 CO 0.01 0.39 -0.74 0.44 -2.88 0.00 0.00 179.24 176.45 1x52 h ASP 27 N 0.41 0.57 0.80 2.28 3.32 -0.74 -3.19 116.42 119.87 1x52 h ASP 27 Ca 0.10 -0.82 -0.04 0.00 0.02 0.00 0.00 57.03 56.29 1x52 h ASP 27 Cb 0.17 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1x52 h ASP 27 CO -0.00 1.32 -0.39 0.15 -1.72 0.00 0.00 179.24 178.59 1x52 h PHE 28 N -0.12 -1.03 -0.97 4.55 3.04 -0.36 -3.03 116.94 119.03 1x52 h PHE 28 Ca -0.11 -0.02 0.12 0.00 3.98 0.00 0.00 57.97 61.94 1x52 h PHE 28 Cb 1.48 0.34 -0.08 0.00 2.56 0.00 0.00 35.95 40.25 1x52 h PHE 28 CO 0.16 -0.63 0.62 1.88 -2.02 0.00 0.00 178.31 178.31 1x52 h TYR 29 N -1.09 1.06 -0.50 0.41 0.05 -0.89 0.59 116.97 116.60 1x52 h TYR 29 Ca -0.11 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.77 1x52 h TYR 29 Cb 0.84 -0.34 -0.09 0.00 1.01 0.00 0.00 36.73 38.15 1x52 h TYR 29 CO -0.03 0.42 -0.50 -0.22 -1.05 0.00 0.00 178.16 176.78 1x52 h LYS 30 N 0.92 -0.30 -0.32 4.88 3.64 -1.52 -0.22 116.57 123.65 1x52 h LYS 30 Ca 0.48 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.78 1x52 h LYS 30 Cb 0.54 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1x52 h LYS 30 CO -0.25 -0.20 -0.22 0.52 -2.27 0.00 0.00 179.45 177.04 1x52 h MET 31 N -0.31 0.61 -0.56 1.90 2.86 -1.12 -0.90 114.93 117.41 1x52 h MET 31 Ca 0.12 -0.23 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 1x52 h MET 31 Cb 0.58 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1x52 h MET 31 CO -0.64 0.78 0.41 1.25 1.06 0.00 0.00 176.91 179.77 1x52 h LEU 32 N 0.54 0.00 0.00 1.22 5.85 0.83 0.26 115.31 124.01 1x52 h LEU 32 Ca 0.08 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.54 1x52 h LEU 32 Cb 0.66 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1x52 h LEU 32 CO 0.05 0.00 -1.52 0.00 -0.34 0.00 0.00 178.44 176.63 1x52 n GLN 33 N -4.31 0.56 0.08 1.25 6.02 -0.73 -4.15 117.38 116.11 1x52 n GLN 33 Ca 0.10 0.48 -0.09 0.00 -0.01 0.00 0.00 57.00 57.49 1x52 n GLN 33 Cb 0.65 -1.67 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 1x52 n GLN 33 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1x52 h HIS 34 N -1.00 0.32 -0.40 1.08 3.86 -0.85 -3.42 115.15 114.74 1x52 h HIS 34 Ca -0.40 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 58.54 1x52 h HIS 34 Cb 1.31 -0.04 -0.15 0.00 1.06 0.00 0.00 27.41 29.59 1x52 h HIS 34 CO 0.01 0.99 -0.29 -0.85 0.86 0.00 0.00 177.93 178.64 1x52 n GLU 35 N -3.67 0.36 0.02 2.45 0.28 0.79 -5.04 120.64 115.84 1x52 n GLU 35 Ca -0.04 -1.35 0.05 0.00 -0.16 0.00 0.00 57.16 55.66 1x52 n GLU 35 Cb 0.81 -0.72 0.21 0.00 1.43 0.00 0.00 31.44 33.16 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 2.38 0.03 0.32 3.44 -0.04 -0.55 -1.09 135.00 139.49 1x52 n PRO 36 Ca 0.12 0.41 0.22 0.00 -0.04 0.00 0.00 63.50 64.20 1x52 n PRO 36 Cb 0.63 -1.57 1.14 0.00 -0.04 0.00 0.00 33.50 33.66 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 -0.34 3.54 5.19 -1.94 0.18 116.42 123.05 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 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 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 -3.03 2.40 -3.48 3.56 1.74 -0.25 -2.31 116.66 115.29 1x52 n ARG 38 Ca -0.03 -2.11 -0.26 0.00 -0.77 0.00 0.00 57.85 54.68 1x52 n ARG 38 Cb 0.09 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.91 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 -1.57 0.46 0.03 7.54 0.00 0.05 -0.95 121.76 127.32 1x52 s ALA 39 Ca 0.37 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1x52 s ALA 39 Cb 0.22 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 1x52 s ALA 39 CO 0.31 -1.85 0.42 -0.06 0.00 0.00 0.00 175.76 174.58 1x52 s PHE 40 N 1.75 3.69 0.05 0.00 0.40 -0.44 -4.78 117.98 118.65 1x52 s PHE 40 Ca 0.13 0.97 -0.02 0.00 -0.60 0.00 0.00 56.93 57.41 1x52 s PHE 40 Cb -0.18 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1x52 s PHE 40 CO -0.21 0.60 -0.01 1.52 0.70 0.00 0.00 175.22 177.82 1x52 s TYR 41 N -1.17 0.49 0.00 0.36 1.13 -1.26 -0.79 117.35 116.11 1x52 s TYR 41 Ca 0.27 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 1x52 s TYR 41 Cb -0.16 -0.36 0.00 0.00 -1.10 0.00 0.00 41.96 40.34 1x52 s TYR 41 CO 0.15 -0.39 0.00 0.41 -2.51 0.00 0.00 175.55 173.20 1x52 n GLY 42 N 0.09 -1.84 0.31 5.49 0.00 -0.42 -4.29 105.19 104.54 1x52 n GLY 42 Ca -0.14 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.24 -0.46 0.99 5.85 -1.90 0.41 115.31 119.96 1x52 h LEU 43 Ca 0.00 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.97 1x52 h LEU 43 Cb 0.00 0.36 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1x52 h LEU 43 CO 0.00 -0.23 0.27 0.50 -0.34 0.00 0.00 178.44 178.64 1x52 h LYS 44 N 0.11 0.53 0.73 1.25 3.64 -1.98 0.95 116.57 121.80 1x52 h LYS 44 Ca 0.53 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.85 1x52 h LYS 44 Cb 1.07 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1x52 h LYS 44 CO -0.75 0.35 -0.35 1.96 -2.27 0.00 0.00 179.45 178.39 1x52 h GLN 45 N 0.55 -0.95 -0.90 1.90 4.20 -1.13 -3.11 115.11 115.67 1x52 h GLN 45 Ca 0.19 0.06 0.20 0.00 0.06 0.00 0.00 58.65 59.16 1x52 h GLN 45 Cb 0.02 0.22 -0.11 0.00 0.30 0.00 0.00 27.48 27.90 1x52 h GLN 45 CO -0.09 -0.61 0.44 0.28 -0.67 0.00 0.00 178.83 178.18 1x52 h VAL 46 N -1.19 0.58 -0.96 -0.54 2.07 -1.09 0.19 116.25 115.30 1x52 h VAL 46 Ca -0.10 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.38 1x52 h VAL 46 Cb 0.78 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 1x52 h VAL 46 CO 0.17 0.09 0.58 -0.33 0.02 0.00 0.00 177.57 178.10 1x52 h GLU 47 N 0.51 0.85 -0.01 1.57 5.08 -0.83 0.58 114.58 122.33 1x52 h GLU 47 Ca 0.54 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1x52 h GLU 47 Cb 0.93 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1x52 h GLU 47 CO -0.46 0.56 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.71 1x52 h LYS 48 N 0.87 0.14 -0.83 2.33 1.63 -0.64 -2.52 116.57 117.55 1x52 h LYS 48 Ca 0.50 -0.14 0.14 0.00 -0.85 0.00 0.00 60.65 60.30 1x52 h LYS 48 Cb 0.59 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.19 1x52 h LYS 48 CO -0.30 0.86 0.54 0.00 -3.45 0.00 0.00 179.45 177.10 1x52 h ALA 49 N 0.28 1.91 -0.44 5.00 0.00 -0.66 -0.14 119.26 125.21 1x52 h ALA 49 Ca -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1x52 h ALA 49 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1x52 h ALA 49 CO 0.04 -0.12 -0.20 -0.97 0.00 0.00 0.00 179.25 178.00 1x52 h ASN 50 N 0.61 0.94 0.07 0.00 -1.24 -0.87 -2.26 115.58 112.83 1x52 h ASN 50 Ca 0.41 -0.40 -0.01 0.00 0.71 0.00 0.00 56.30 57.01 1x52 h ASN 50 Cb 0.71 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 1x52 h ASN 50 CO -0.17 1.13 -0.07 -0.33 -1.29 0.00 0.00 177.43 176.70 1x52 h GLU 51 N 0.74 0.00 0.00 6.67 5.08 -0.81 -0.12 114.58 126.15 1x52 h GLU 51 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1x52 h GLU 51 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1x52 h GLU 51 CO 0.06 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 1x52 n ALA 52 N -2.51 2.10 -1.90 3.43 0.00 -0.17 -4.89 120.51 116.58 1x52 n ALA 52 Ca -0.03 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1x52 n ALA 52 Cb 0.15 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.35 -1.67 0.05 0.00 2.81 -0.06 -4.85 117.12 112.05 1x52 n MET 53 Ca 0.09 0.81 0.11 0.00 -1.81 0.00 0.00 57.70 56.90 1x52 n MET 53 Cb 0.20 -5.25 -0.01 0.00 -0.71 0.00 0.00 33.22 27.45 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 -0.64 2.95 -2.13 3.04 0.00 -0.88 -4.90 120.51 117.96 1x52 n ALA 54 Ca -0.16 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.50 1x52 n ALA 54 Cb 0.56 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.31 3.76 -0.16 0.00 1.01 -1.25 -0.31 121.20 120.94 1x52 s ILE 55 Ca 0.00 0.89 0.16 0.00 0.00 0.00 0.00 60.65 61.71 1x52 s ILE 55 Cb 0.12 -3.65 -0.24 0.00 0.01 0.00 0.00 42.46 38.70 1x52 s ILE 55 CO 0.81 -0.16 0.23 -0.67 0.00 0.00 0.00 174.94 175.15 1x52 n ASP 56 N 7.53 0.30 -3.81 3.58 2.03 -0.54 -3.68 116.55 121.95 1x52 n ASP 56 Ca 0.17 0.11 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 1x52 n ASP 56 Cb 0.44 0.66 -0.15 0.00 -0.72 0.00 0.00 41.12 41.35 1x52 n ASP 56 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x52 s THR 57 N -2.52 0.03 -0.12 5.18 2.01 -1.17 -0.48 115.64 118.57 1x52 s THR 57 Ca -0.09 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1x52 s THR 57 Cb 0.07 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 1x52 s THR 57 CO 0.82 0.08 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.56 1x52 s LEU 58 N 0.76 3.19 -0.17 4.42 2.96 -0.23 -0.37 118.68 129.24 1x52 s LEU 58 Ca -0.07 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 1x52 s LEU 58 Cb -0.10 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1x52 s LEU 58 CO -0.02 0.24 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.39 1x52 s LEU 59 N -0.10 2.74 0.01 -0.68 1.43 0.49 -0.66 118.68 121.91 1x52 s LEU 59 Ca 0.01 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1x52 s LEU 59 Cb -0.13 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1x52 s LEU 59 CO 0.03 0.08 0.00 -0.51 0.23 0.00 0.00 176.35 176.18 1x52 s ILE 60 N 0.89 0.09 0.43 -0.59 2.07 -0.70 -0.85 121.20 122.53 1x52 s ILE 60 Ca -0.03 -0.71 -0.25 0.00 -1.41 0.00 0.00 60.65 58.26 1x52 s ILE 60 Cb -0.15 -0.25 -0.08 0.00 0.13 0.00 0.00 42.46 42.12 1x52 s ILE 60 CO 0.00 -0.39 1.23 -0.55 -1.91 0.00 0.00 174.94 173.32 1x52 s SER 61 N -1.18 6.27 0.47 4.50 0.15 -0.09 -0.61 113.70 123.22 1x52 s SER 61 Ca -0.13 2.48 0.13 0.00 0.70 0.00 0.00 55.95 59.13 1x52 s SER 61 Cb -0.08 -2.62 1.09 0.00 -1.71 0.00 0.00 66.02 62.70 1x52 s SER 61 CO -0.00 -0.86 2.08 -2.24 1.20 0.00 0.00 173.24 173.42 1x52 h ASP 62 N 2.43 0.23 -0.01 5.45 2.03 -1.20 -2.59 116.42 122.76 1x52 h ASP 62 Ca -0.49 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1x52 h ASP 62 Cb 1.25 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1x52 h ASP 62 CO 0.62 0.16 0.01 1.05 -1.03 0.00 0.00 179.24 180.05 1x52 h GLU 63 N 0.27 0.00 0.08 4.15 4.11 -1.92 0.17 114.58 121.45 1x52 h GLU 63 Ca 0.11 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.32 1x52 h GLU 63 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1x52 h GLU 63 CO -0.02 0.00 -1.16 -0.07 0.07 0.00 0.00 179.01 177.82 1x52 h LEU 64 N 0.00 0.27 -2.07 3.06 3.38 -1.85 -2.90 115.31 115.20 1x52 h LEU 64 Ca 0.01 -0.82 0.10 0.00 0.09 0.00 0.00 57.88 57.25 1x52 h LEU 64 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1x52 h LEU 64 CO -0.00 1.50 0.34 0.15 0.09 0.00 0.00 178.44 180.52 1x52 h PHE 65 N -0.51 0.00 0.00 1.13 3.57 -0.63 -2.18 116.94 118.31 1x52 h PHE 65 Ca -0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1x52 h PHE 65 Cb 1.58 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 1x52 h PHE 65 CO 0.15 0.00 -0.25 2.89 -2.23 0.00 0.00 178.31 178.86 1x52 n ARG 66 N -3.87 1.15 -1.64 1.11 1.85 0.41 -4.88 116.66 110.79 1x52 n ARG 66 Ca 0.05 -2.57 -0.39 0.00 -1.00 0.00 0.00 57.85 53.94 1x52 n ARG 66 Cb 0.50 -1.34 0.04 0.00 -1.05 0.00 0.00 32.46 30.61 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 -1.08 1.25 -0.15 2.89 -0.00 -0.82 -4.94 115.22 112.36 1x52 n HIS 67 Ca 0.14 0.46 -0.08 0.00 0.46 0.00 0.00 57.72 58.71 1x52 n HIS 67 Cb 0.69 -2.21 0.01 0.00 -0.12 0.00 0.00 29.99 28.35 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 0.96 0.62 -6.43 1.57 -0.00 -1.91 -3.42 115.11 106.50 1x52 h GLN 68 Ca -0.48 -0.06 -0.57 0.00 -0.00 0.00 0.00 58.65 57.54 1x52 h GLN 68 Cb 1.34 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.48 28.64 1x52 h GLN 68 CO 0.54 0.48 0.98 0.34 -0.00 0.00 0.00 178.83 181.16 1x52 s ASP 69 N -5.72 6.62 0.45 0.06 2.15 -1.26 -4.90 116.67 114.07 1x52 s ASP 69 Ca -0.13 1.03 0.14 0.00 0.43 0.00 0.00 52.55 54.02 1x52 s ASP 69 Cb 0.11 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 41.27 1x52 s ASP 69 CO 0.74 -1.16 2.03 0.58 -0.17 0.00 0.00 175.17 177.19 1x52 h VAL 70 N 6.08 0.94 0.44 1.11 2.07 -1.99 0.11 116.25 125.01 1x52 h VAL 70 Ca -0.26 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1x52 h VAL 70 Cb 1.09 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1x52 h VAL 70 CO 1.05 0.06 -0.21 0.00 0.02 0.00 0.00 177.57 178.49 1x52 h ALA 71 N 1.76 -0.59 -0.07 1.67 0.00 -1.95 0.55 119.26 120.63 1x52 h ALA 71 Ca 0.20 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1x52 h ALA 71 Cb 0.38 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1x52 h ALA 71 CO -0.05 -0.66 -0.41 1.15 0.00 0.00 0.00 179.25 179.28 1x52 h THR 72 N -0.92 0.16 -0.16 0.00 2.02 -1.83 -0.05 112.91 112.13 1x52 h THR 72 Ca -0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.17 1x52 h THR 72 Cb 0.57 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1x52 h THR 72 CO 0.10 0.00 -0.19 -0.09 0.37 0.00 0.00 175.52 175.71 1x52 h ARG 73 N -0.52 -0.21 -0.77 6.66 2.43 -0.86 -2.18 114.38 118.93 1x52 h ARG 73 Ca 0.06 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1x52 h ARG 73 Cb 0.63 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.16 1x52 h ARG 73 CO -0.36 -0.14 0.42 0.77 -1.51 0.00 0.00 179.97 179.15 1x52 h SER 74 N -0.22 0.58 -0.15 -3.80 0.02 -0.34 -0.70 113.55 108.93 1x52 h SER 74 Ca 0.11 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 1x52 h SER 74 Cb 0.38 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1x52 h SER 74 CO -0.29 0.33 -0.28 0.03 -1.14 0.00 0.00 176.83 175.49 1x52 h ARG 75 N 0.70 -0.33 -0.12 3.45 3.08 -0.37 0.29 114.38 121.10 1x52 h ARG 75 Ca 0.37 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.47 1x52 h ARG 75 Cb 0.36 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1x52 h ARG 75 CO -0.26 -0.22 -0.01 1.88 -1.07 0.00 0.00 179.97 180.30 1x52 h TYR 76 N -0.34 -0.03 0.10 3.04 0.05 -1.22 -1.43 116.97 117.14 1x52 h TYR 76 Ca 0.10 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1x52 h TYR 76 Cb 0.50 0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1x52 h TYR 76 CO -0.38 -0.03 -0.09 0.28 -1.05 0.00 0.00 178.16 176.89 1x52 h VAL 77 N 0.02 0.79 -0.76 -2.88 2.07 -0.47 0.16 116.25 115.19 1x52 h VAL 77 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 1x52 h VAL 77 Cb 0.07 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1x52 h VAL 77 CO -0.10 0.00 0.25 0.03 0.02 0.00 0.00 177.57 177.76 1x52 h ARG 78 N -0.21 1.17 -0.42 1.57 3.08 -0.36 0.78 114.38 120.00 1x52 h ARG 78 Ca 0.00 -0.25 -0.05 0.00 0.07 0.00 0.00 59.98 59.76 1x52 h ARG 78 Cb 0.20 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1x52 h ARG 78 CO -0.02 0.99 0.06 1.25 -1.07 0.00 0.00 179.97 181.17 1x52 h LEU 79 N 1.12 0.67 -0.70 3.04 5.85 -1.05 0.20 115.31 124.44 1x52 h LEU 79 Ca 0.25 -0.26 0.11 0.00 0.84 0.00 0.00 57.88 58.82 1x52 h LEU 79 Cb 0.29 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1x52 h LEU 79 CO -0.01 0.76 0.29 0.58 -0.34 0.00 0.00 178.44 179.73 1x52 h VAL 80 N 0.54 0.74 -0.23 1.05 2.07 -0.22 -0.65 116.25 119.56 1x52 h VAL 80 Ca 0.13 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1x52 h VAL 80 Cb 0.38 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1x52 h VAL 80 CO 0.01 0.09 -0.21 -0.78 0.02 0.00 0.00 177.57 176.70 1x52 h ASP 81 N 0.48 0.57 -0.15 0.57 3.58 -0.19 -3.16 116.42 118.12 1x52 h ASP 81 Ca 0.36 -0.47 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 1x52 h ASP 81 Cb 0.48 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1x52 h ASP 81 CO -0.34 0.92 -0.15 -1.28 -2.88 0.00 0.00 179.24 175.52 1x52 h SER 82 N 0.24 0.53 -0.96 2.28 0.87 -0.45 -2.36 113.55 113.69 1x52 h SER 82 Ca 0.04 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1x52 h SER 82 Cb 0.75 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 1x52 h SER 82 CO 0.05 0.70 0.63 0.58 -0.53 0.00 0.00 176.83 178.26 1x52 h VAL 83 N 0.49 1.19 -0.36 2.23 2.07 -1.09 0.14 116.25 120.93 1x52 h VAL 83 Ca 0.09 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 1x52 h VAL 83 Cb 0.54 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1x52 h VAL 83 CO 0.03 0.23 -0.34 0.11 0.02 0.00 0.00 177.57 177.62 1x52 h LYS 84 N 1.23 0.87 -0.91 1.57 1.57 -1.44 0.12 116.57 119.58 1x52 h LYS 84 Ca 0.37 -0.45 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1x52 h LYS 84 Cb -0.05 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1x52 h LYS 84 CO -0.11 1.10 0.59 0.93 -0.57 0.00 0.00 179.45 181.39 1x52 h GLU 85 N 0.67 0.90 -0.67 3.15 4.39 -0.94 -0.77 114.58 121.30 1x52 h GLU 85 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1x52 h GLU 85 Cb 0.93 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1x52 h GLU 85 CO 0.09 0.59 0.00 0.09 -1.16 0.00 0.00 179.01 178.62 1x52 n ASN 86 N -4.53 2.56 -0.01 1.42 4.13 0.46 -4.90 115.26 114.38 1x52 n ASN 86 Ca 0.15 -2.27 -0.00 0.00 1.68 0.00 0.00 54.58 54.15 1x52 n ASN 86 Cb 0.30 -0.46 -0.00 0.00 -1.54 0.00 0.00 39.78 38.07 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x52 n ALA 87 N 0.30 -0.00 -2.21 5.41 0.00 -0.30 -4.83 120.51 118.88 1x52 n ALA 87 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 1x52 n ALA 87 Cb 0.53 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.02 1.62 0.49 0.00 0.00 0.34 -4.94 107.32 102.82 1x52 s GLY 88 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.18 1x52 s GLY 88 CO 0.00 -0.21 0.94 -1.59 0.00 0.00 0.00 173.10 172.24 1x52 s THR 89 N -2.69 4.58 0.06 0.90 2.01 0.37 -3.98 115.64 116.88 1x52 s THR 89 Ca 0.49 1.12 0.09 0.00 0.31 0.00 0.00 61.69 63.70 1x52 s THR 89 Cb -0.10 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1x52 s THR 89 CO 0.42 -0.64 -0.26 -0.69 -0.69 0.00 0.00 174.62 172.77 1x52 s VAL 90 N -2.55 2.22 -0.06 3.82 1.01 -1.26 -1.06 120.40 122.51 1x52 s VAL 90 Ca 0.58 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1x52 s VAL 90 Cb -0.10 -1.89 0.03 0.00 0.00 0.00 0.00 36.38 34.42 1x52 s VAL 90 CO 0.30 0.31 0.01 -0.13 0.00 0.00 0.00 175.10 175.59 1x52 s ARG 91 N -1.42 0.50 -0.34 2.72 1.81 0.17 -4.90 118.95 117.49 1x52 s ARG 91 Ca 0.12 0.13 -0.03 0.00 -1.72 0.00 0.00 55.73 54.23 1x52 s ARG 91 Cb -0.10 -0.85 0.06 0.00 -0.45 0.00 0.00 34.95 33.61 1x52 s ARG 91 CO 0.03 -0.27 0.08 0.42 -0.68 0.00 0.00 175.30 174.87 1x52 s ILE 92 N 1.83 3.30 0.37 1.52 -1.09 -1.26 -1.72 121.20 124.14 1x52 s ILE 92 Ca 0.02 -1.46 -0.08 0.00 -2.23 0.00 0.00 60.65 56.91 1x52 s ILE 92 Cb -0.12 -2.97 -0.06 0.00 -1.58 0.00 0.00 42.46 37.73 1x52 s ILE 92 CO -0.04 -0.26 0.69 -0.36 -1.23 0.00 0.00 174.94 173.74 1x52 s PHE 93 N 1.27 3.48 -0.15 3.97 0.40 0.22 -4.79 117.98 122.38 1x52 s PHE 93 Ca -0.01 0.87 -0.15 0.00 -0.60 0.00 0.00 56.93 57.04 1x52 s PHE 93 Cb -0.20 -2.30 -0.04 0.00 0.51 0.00 0.00 43.02 40.98 1x52 s PHE 93 CO -0.01 -0.01 0.34 -1.12 0.70 0.00 0.00 175.22 175.12 1x52 s SER 94 N -3.24 6.49 0.28 1.36 0.01 -1.26 -0.67 113.70 116.66 1x52 s SER 94 Ca 0.48 0.57 -0.02 0.00 1.31 0.00 0.00 55.95 58.29 1x52 s SER 94 Cb -0.10 -2.21 0.60 0.00 0.21 0.00 0.00 66.02 64.52 1x52 s SER 94 CO 0.32 0.06 1.62 -1.28 0.41 0.00 0.00 173.24 174.37 1x52 h SER 95 N 6.75 -0.30 0.31 2.44 0.87 -1.95 -2.15 113.55 119.53 1x52 h SER 95 Ca -0.41 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1x52 h SER 95 Cb 1.17 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1x52 h SER 95 CO 0.75 -0.22 0.00 -0.07 -0.53 0.00 0.00 176.83 176.76 1x52 h LEU 96 N 0.10 0.00-10.22 2.23 -0.00 -1.98 -3.36 115.31 102.08 1x52 h LEU 96 Ca 0.51 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 57.90 1x52 h LEU 96 Cb 0.98 0.00 0.06 0.00 -0.00 0.00 0.00 40.66 41.69 1x52 h LEU 96 CO -0.74 0.00 0.38 -2.28 -0.00 0.00 0.00 178.44 175.80 1x52 s HIS 97 N -3.73 3.14 0.57 1.13 2.46 -0.81 -4.93 115.29 113.12 1x52 s HIS 97 Ca -0.01 1.48 0.27 0.00 0.47 0.00 0.00 55.06 57.27 1x52 s HIS 97 Cb 0.09 -2.93 1.55 0.00 -0.13 0.00 0.00 32.58 31.16 1x52 s HIS 97 CO 0.36 -0.93 2.05 -0.24 -2.47 0.00 0.00 174.74 173.52 1x52 h VAL 98 N 0.41 0.55 0.00 0.89 3.04 -1.88 0.54 116.25 119.81 1x52 h VAL 98 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1x52 h VAL 98 Cb 1.21 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1x52 h VAL 98 CO 0.58 0.00 0.00 0.28 -1.01 0.00 0.00 177.57 177.42 1x52 h SER 99 N 0.00 0.00 -0.05 3.17 0.02 -1.89 0.25 113.55 115.05 1x52 h SER 99 Ca 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1x52 h SER 99 Cb 0.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1x52 h SER 99 CO -0.00 0.00 -0.02 1.23 -1.14 0.00 0.00 176.83 176.90 1x52 h GLY 100 N 3.11 0.10 1.63 -3.77 0.00 -0.89 -3.08 103.07 100.17 1x52 h GLY 100 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 1x52 h GLY 100 CO 0.00 0.08 0.00 0.83 0.00 0.00 0.00 176.54 177.45 1x52 h GLU 101 N -0.28 0.47 -0.37 4.80 5.08 -1.28 -1.35 114.58 121.64 1x52 h GLU 101 Ca 0.01 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1x52 h GLU 101 Cb 0.43 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1x52 h GLU 101 CO 0.01 0.49 0.13 1.96 -1.00 0.00 0.00 179.01 180.60 1x52 h GLN 102 N 0.45 0.57 -0.33 2.33 4.20 -0.63 -2.99 115.11 118.72 1x52 h GLN 102 Ca 0.10 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1x52 h GLN 102 Cb 0.29 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1x52 h GLN 102 CO 0.01 0.56 -0.00 1.25 -0.67 0.00 0.00 178.83 179.98 1x52 h LEU 103 N 0.46 0.48 -1.64 1.46 5.85 -1.20 -2.85 115.31 117.86 1x52 h LEU 103 Ca 0.12 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1x52 h LEU 103 Cb 0.22 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1x52 h LEU 103 CO -0.01 0.55 0.39 0.28 -0.34 0.00 0.00 178.44 179.31 1x52 h SER 104 N 0.49 0.36 0.05 1.25 0.02 -1.13 0.25 113.55 114.85 1x52 h SER 104 Ca 0.11 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1x52 h SER 104 Cb 0.32 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1x52 h SER 104 CO 0.01 0.22 -0.00 1.56 -1.14 0.00 0.00 176.83 177.48 1x52 h GLN 105 N 0.40 0.00 -0.09 3.45 4.20 -1.57 -1.29 115.11 120.22 1x52 h GLN 105 Ca 0.27 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 1x52 h GLN 105 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1x52 h GLN 105 CO -0.07 0.00 -0.21 1.28 -0.67 0.00 0.00 178.83 179.16 1x52 n LEU 106 N -3.15 2.98 -0.11 1.46 4.77 0.57 -4.96 117.00 118.57 1x52 n LEU 106 Ca -0.03 -3.52 -0.01 0.00 -0.03 0.00 0.00 56.01 52.42 1x52 n LEU 106 Cb 0.08 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1x52 n LEU 106 CO 0.21 1.07 -0.01 0.35 -1.33 0.00 0.00 177.39 177.68 1x52 n THR 107 N -1.16 0.00 -1.27 -5.08 -2.24 -0.49 -3.05 114.28 100.99 1x52 n THR 107 Ca 0.21 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.90 1x52 n THR 107 Cb 0.76 -0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.19 1.09 3.09 3.38 0.00 0.56 -4.87 105.19 107.25 1x52 n GLY 108 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.32 -0.35 0.30 1.61 0.11 -1.17 -0.91 120.40 117.66 1x52 s VAL 109 Ca 0.00 0.22 -0.09 0.00 -2.93 0.00 0.00 61.98 59.17 1x52 s VAL 109 Cb 0.00 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1x52 s VAL 109 CO 0.00 0.09 0.50 0.00 -3.33 0.00 0.00 175.10 172.36 1x52 s ALA 110 N 2.14 0.11 -0.15 1.54 0.00 -0.02 -1.30 121.76 124.08 1x52 s ALA 110 Ca -0.02 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 1x52 s ALA 110 Cb -0.11 1.07 0.08 0.00 0.00 0.00 0.00 23.12 24.15 1x52 s ALA 110 CO -0.10 -0.84 0.73 0.00 0.00 0.00 0.00 175.76 175.55 1x52 s ALA 111 N -3.49 -1.79 0.12 0.00 0.00 0.03 -0.38 121.76 116.25 1x52 s ALA 111 Ca 0.25 1.62 -0.15 0.00 0.00 0.00 0.00 51.96 53.68 1x52 s ALA 111 Cb -0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 1x52 s ALA 111 CO 0.13 -0.35 0.54 0.42 0.00 0.00 0.00 175.76 176.50 1x52 s ILE 112 N -0.56 4.86 0.02 0.00 1.01 0.50 -1.33 121.20 125.71 1x52 s ILE 112 Ca -0.06 0.87 0.07 0.00 0.00 0.00 0.00 60.65 61.53 1x52 s ILE 112 Cb -0.02 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1x52 s ILE 112 CO 0.06 0.31 -0.21 -0.76 0.00 0.00 0.00 174.94 174.34 1x52 s LEU 113 N -1.78 2.42 0.42 2.97 1.43 -0.12 -1.47 118.68 122.55 1x52 s LEU 113 Ca 0.35 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.10 1x52 s LEU 113 Cb -0.16 -1.43 0.89 0.00 0.03 0.00 0.00 46.19 45.52 1x52 s LEU 113 CO 0.19 0.28 2.00 0.03 0.23 0.00 0.00 176.35 179.08 1x52 h ARG 114 N 4.86 0.31 -3.56 1.70 3.08 -0.98 -3.45 114.38 116.34 1x52 h ARG 114 Ca -0.46 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.48 1x52 h ARG 114 Cb 1.15 -0.06 -0.13 0.00 0.08 0.00 0.00 29.97 31.01 1x52 h ARG 114 CO 0.47 0.31 -0.17 -0.59 -1.07 0.00 0.00 179.97 178.92 1x52 s PHE 115 N -5.05 0.00 -0.40 3.04 -0.12 -1.26 -5.11 117.98 109.08 1x52 s PHE 115 Ca -0.06 -0.36 -0.28 0.00 -0.05 0.00 0.00 56.93 56.18 1x52 s PHE 115 Cb 0.16 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 1x52 s PHE 115 CO 0.72 -0.71 1.73 -1.25 -0.05 0.00 0.00 175.22 175.66 1x52 s PRO 116 N -3.86 3.25 0.17 1.99 0.04 -1.26 -4.65 135.00 130.67 1x52 s PRO 116 Ca 0.07 1.17 -0.32 0.00 0.04 0.00 0.00 61.00 61.96 1x52 s PRO 116 Cb 0.02 -4.20 -0.11 0.00 0.04 0.00 0.00 34.50 30.25 1x52 s PRO 116 CO -0.08 -1.97 1.79 0.28 0.04 0.00 0.00 177.00 177.07 1x52 n VAL 117 N 7.31 0.20 -2.10 -0.36 0.31 -0.98 -4.86 118.33 117.84 1x52 n VAL 117 Ca 0.21 -0.04 -0.28 0.00 -0.01 0.00 0.00 64.34 64.22 1x52 n VAL 117 Cb 0.48 -2.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.28 1x52 n VAL 117 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x52 s PRO 118 N 2.01 2.65 0.23 5.55 0.04 -1.26 -4.84 135.00 139.38 1x52 s PRO 118 Ca 0.79 -0.57 -0.08 0.00 0.04 0.00 0.00 61.00 61.18 1x52 s PRO 118 Cb -0.49 -5.13 -0.02 0.00 0.04 0.00 0.00 34.50 28.91 1x52 s PRO 118 CO 0.35 -3.39 0.35 -1.12 0.04 0.00 0.00 177.00 173.23 1x52 s SER 119 N 7.41 0.02 -0.27 6.66 0.01 -1.26 -5.13 113.70 121.14 1x52 s SER 119 Ca 0.68 -1.11 -0.19 0.00 1.31 0.00 0.00 55.95 56.63 1x52 s SER 119 Cb -0.05 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1x52 s SER 119 CO 0.02 -1.04 0.58 -0.83 0.41 0.00 0.00 173.24 172.38 1x52 s GLY 120 N -3.08 1.81 0.86 3.44 0.00 -1.26 -5.07 107.32 104.03 1x52 s GLY 120 Ca 0.29 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1x52 s GLY 120 CO 0.10 1.37 1.10 2.56 0.00 0.00 0.00 173.10 178.23 1x52 s PRO 121 N 2.45 1.49 -0.30 2.90 0.04 -1.26 -5.07 135.00 135.25 1x52 s PRO 121 Ca 0.24 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1x52 s PRO 121 Cb -0.15 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.70 1x52 s PRO 121 CO 0.10 -2.16 0.70 0.45 0.04 0.00 0.00 177.00 176.13 1x52 s SER 122 N -3.21 -1.03 1.07 6.66 0.15 -1.26 -5.14 113.70 110.93 1x52 s SER 122 Ca 0.63 1.46 -0.12 0.00 0.70 0.00 0.00 55.95 58.62 1x52 s SER 122 Cb -0.19 2.05 0.23 0.00 -1.71 0.00 0.00 66.02 66.39 1x52 s SER 122 CO 0.57 -0.21 1.06 -0.44 1.20 0.00 0.00 173.24 175.43 1x52 s SER 123 N 2.59 1.89 0.00 5.45 0.01 -1.26 -5.10 113.70 117.28 1x52 s SER 123 Ca -0.06 1.45 0.17 0.00 1.31 0.00 0.00 55.95 58.82 1x52 s SER 123 Cb -0.10 -2.16 0.14 0.00 0.21 0.00 0.00 66.02 64.11 1x52 s SER 123 CO -0.19 -3.62 1.05 0.61 0.41 0.00 0.00 173.24 171.50