#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x52 s SER 2 N 0.00 -0.02 0.33 1.61 0.01 -1.26 -5.18 113.70 109.19 1x52 s SER 2 Ca 0.00 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 1x52 s SER 2 Cb 0.00 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.71 1x52 s SER 2 CO 0.00 -0.91 0.63 -0.94 0.41 0.00 0.00 173.24 172.43 1x52 s SER 3 N -2.94 0.21 0.00 2.44 1.04 -1.26 -5.11 113.70 108.08 1x52 s SER 3 Ca 0.14 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1x52 s SER 3 Cb 0.03 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1x52 s SER 3 CO -0.02 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.39 1x52 n GLY 4 N -0.50 -0.48 0.00 7.32 0.00 -1.26 -5.12 105.19 105.16 1x52 n GLY 4 Ca -0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1x52 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x52 n SER 5 N -0.00 0.00 -4.06 1.61 2.88 -1.26 -5.04 113.62 107.75 1x52 n SER 5 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1x52 n SER 5 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1x52 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x52 n SER 6 N -0.78 -1.47 -4.63 -3.46 7.64 -1.26 -4.97 113.62 104.69 1x52 n SER 6 Ca 0.00 -1.01 -0.29 0.00 1.01 0.00 0.00 58.87 58.57 1x52 n SER 6 Cb 0.00 -2.92 0.19 0.00 -1.01 0.00 0.00 64.21 60.47 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 -3.95 1.60 -0.18 0.23 0.00 -1.26 -5.08 107.32 98.68 1x52 s GLY 7 Ca 0.29 0.03 -0.17 0.00 0.00 0.00 0.00 44.72 44.87 1x52 s GLY 7 CO 0.91 0.59 0.49 -1.59 0.00 0.00 0.00 173.10 173.50 1x52 s THR 8 N -2.71 -0.00 -0.05 0.90 2.01 -1.26 -5.16 115.64 109.36 1x52 s THR 8 Ca 0.66 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.59 1x52 s THR 8 Cb -0.21 -0.68 0.02 0.00 0.01 0.00 0.00 72.50 71.63 1x52 s THR 8 CO 0.60 0.00 0.19 0.54 -0.69 0.00 0.00 174.62 175.26 1x52 s VAL 9 N 0.31 0.02 -0.42 3.82 0.11 -1.26 -5.12 120.40 117.86 1x52 s VAL 9 Ca -0.00 -0.17 0.05 0.00 -2.93 0.00 0.00 61.98 58.93 1x52 s VAL 9 Cb -0.04 -0.32 0.17 0.00 -1.53 0.00 0.00 36.38 34.66 1x52 s VAL 9 CO 0.00 -0.09 0.46 0.00 -3.33 0.00 0.00 175.10 172.14 1x52 s ALA 10 N -0.27 -0.42 -0.34 1.54 0.00 -1.26 -5.10 121.76 115.91 1x52 s ALA 10 Ca -0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1x52 s ALA 10 Cb -0.03 -2.12 0.12 0.00 0.00 0.00 0.00 23.12 21.09 1x52 s ALA 10 CO 0.01 -2.13 0.17 -1.54 0.00 0.00 0.00 175.76 172.27 1x52 s SER 11 N 0.94 3.45 -0.00 0.00 1.04 -1.26 -5.08 113.70 112.80 1x52 s SER 11 Ca 0.24 -1.90 0.00 0.00 0.48 0.00 0.00 55.95 54.78 1x52 s SER 11 Cb -0.06 -0.58 -0.00 0.00 0.10 0.00 0.00 66.02 65.48 1x52 s SER 11 CO -0.08 -0.36 -0.01 -0.13 0.98 0.00 0.00 173.24 173.64 1x52 s ARG 12 N 1.35 0.11 -0.22 4.02 3.00 -1.26 -5.16 118.95 120.79 1x52 s ARG 12 Ca 0.14 -0.04 -0.27 0.00 0.00 0.00 0.00 55.73 55.56 1x52 s ARG 12 Cb -0.20 -0.12 0.09 0.00 0.00 0.00 0.00 34.95 34.72 1x52 s ARG 12 CO -0.15 0.02 0.81 -0.48 0.00 0.00 0.00 175.30 175.50 1x52 s LEU 13 N -0.00 -0.63 0.38 2.53 2.34 -1.26 -4.91 118.68 117.13 1x52 s LEU 13 Ca 0.00 1.09 0.00 0.00 0.06 0.00 0.00 54.13 55.28 1x52 s LEU 13 Cb -0.01 2.29 0.00 0.00 -0.56 0.00 0.00 46.19 47.92 1x52 s LEU 13 CO -0.00 -0.30 0.00 -0.24 -1.06 0.00 0.00 176.35 174.75 1x52 n SER 14 N 2.08 -2.89 -4.67 1.48 2.88 -1.26 -5.15 113.62 106.09 1x52 n SER 14 Ca -0.14 0.72 -0.30 0.00 -1.33 0.00 0.00 58.87 57.81 1x52 n SER 14 Cb 0.56 2.78 0.16 0.00 -0.75 0.00 0.00 64.21 66.96 1x52 n SER 14 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1x52 s ASP 15 N -2.74 3.00 0.00 -3.46 1.01 -1.26 -4.98 116.67 108.24 1x52 s ASP 15 Ca 0.00 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1x52 s ASP 15 Cb 0.00 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1x52 s ASP 15 CO 0.00 -2.99 0.00 0.41 0.21 0.00 0.00 175.17 172.80 1x52 n THR 16 N -4.14 0.00 -0.01 -1.27 -1.04 -1.26 -3.98 114.28 102.59 1x52 n THR 16 Ca 0.08 0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 62.30 1x52 n THR 16 Cb 0.53 -1.18 -0.10 0.00 -1.82 0.00 0.00 70.33 67.77 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 -0.06 -0.42 -2.82 1.63 -2.02 -3.31 116.57 109.58 1x52 h LYS 17 Ca 0.00 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1x52 h LYS 17 Cb 0.00 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 1x52 h LYS 17 CO 0.00 0.53 0.17 0.00 -3.45 0.00 0.00 179.45 176.69 1x52 h ALA 18 N 0.17 0.50 0.00 5.00 0.00 -2.00 -1.00 119.26 121.93 1x52 h ALA 18 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x52 h ALA 18 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x52 h ALA 18 CO 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 179.25 178.99 1x52 h ALA 19 N 1.26 1.35 -0.30 0.00 0.00 -1.72 0.12 119.26 119.98 1x52 h ALA 19 Ca 0.19 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1x52 h ALA 19 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1x52 h ALA 19 CO -0.18 0.07 -0.20 0.78 0.00 0.00 0.00 179.25 179.72 1x52 h GLY 20 N 0.46 0.73 0.73 0.00 0.00 -1.26 0.13 103.07 103.84 1x52 h GLY 20 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1x52 h GLY 20 CO 0.01 0.63 -0.05 -2.09 0.00 0.00 0.00 176.54 175.03 1x52 h GLU 21 N 0.42 -0.14 0.04 4.80 4.81 -1.39 -1.85 114.58 121.27 1x52 h GLU 21 Ca 0.06 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1x52 h GLU 21 Cb 0.75 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.16 1x52 h GLU 21 CO 0.06 0.14 -0.02 0.28 -0.73 0.00 0.00 179.01 178.74 1x52 h VAL 22 N -0.42 0.99 -0.79 0.32 2.07 -0.76 0.18 116.25 117.84 1x52 h VAL 22 Ca -0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1x52 h VAL 22 Cb 0.34 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1x52 h VAL 22 CO 0.02 0.02 0.50 0.50 0.02 0.00 0.00 177.57 178.63 1x52 h LYS 23 N -0.09 1.06 -0.13 1.57 3.11 -1.05 0.16 116.57 121.20 1x52 h LYS 23 Ca -0.01 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1x52 h LYS 23 Cb 0.08 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 1x52 h LYS 23 CO 0.01 0.73 0.08 0.00 -2.81 0.00 0.00 179.45 177.46 1x52 h ALA 24 N 1.27 0.17 -0.52 5.00 0.00 -0.93 -0.33 119.26 123.91 1x52 h ALA 24 Ca 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1x52 h ALA 24 Cb -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1x52 h ALA 24 CO -0.06 -0.34 0.34 1.25 0.00 0.00 0.00 179.25 180.45 1x52 h LEU 25 N 0.16 0.59 -0.00 0.00 5.85 0.02 -0.32 115.31 121.61 1x52 h LEU 25 Ca 0.05 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1x52 h LEU 25 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1x52 h LEU 25 CO -0.01 0.43 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.68 1x52 h ASP 26 N 0.70 -0.16 -0.39 1.25 3.58 -0.59 0.92 116.42 121.74 1x52 h ASP 26 Ca 0.19 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 1x52 h ASP 26 Cb -0.08 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1x52 h ASP 26 CO -0.04 -0.09 -0.15 -0.78 -2.88 0.00 0.00 179.24 175.30 1x52 h ASP 27 N -0.10 0.80 0.44 2.28 3.58 -0.83 0.09 116.42 122.68 1x52 h ASP 27 Ca 0.02 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 1x52 h ASP 27 Cb 0.13 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1x52 h ASP 27 CO -0.06 1.01 -0.44 0.15 -2.88 0.00 0.00 179.24 177.02 1x52 h PHE 28 N 0.59 -1.21 -0.98 0.28 3.04 -0.97 -2.85 116.94 114.82 1x52 h PHE 28 Ca 0.09 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.13 1x52 h PHE 28 Cb 0.69 0.47 -0.07 0.00 2.56 0.00 0.00 35.95 39.61 1x52 h PHE 28 CO 0.06 -0.60 0.62 1.88 -2.02 0.00 0.00 178.31 178.25 1x52 h TYR 29 N -0.89 1.15 -0.75 0.41 0.05 -0.54 0.11 116.97 116.51 1x52 h TYR 29 Ca -0.04 0.03 0.14 0.00 0.05 0.00 0.00 58.73 58.90 1x52 h TYR 29 Cb 0.79 -0.37 -0.09 0.00 1.01 0.00 0.00 36.73 38.06 1x52 h TYR 29 CO -0.24 0.56 0.32 -0.22 -1.05 0.00 0.00 178.16 177.53 1x52 h LYS 30 N 1.10 0.46 -0.04 4.88 3.64 -0.80 0.26 116.57 126.07 1x52 h LYS 30 Ca 0.44 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.58 1x52 h LYS 30 Cb 0.24 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1x52 h LYS 30 CO -0.20 0.30 -0.85 0.52 -2.27 0.00 0.00 179.45 176.96 1x52 h MET 31 N 0.47 0.42 -0.73 1.90 0.00 -0.89 -2.38 114.93 113.72 1x52 h MET 31 Ca 0.41 -0.40 0.16 0.00 0.00 0.00 0.00 59.70 59.87 1x52 h MET 31 Cb 0.59 0.10 -0.05 0.00 0.00 0.00 0.00 31.60 32.25 1x52 h MET 31 CO -0.38 1.05 0.50 1.25 0.00 0.00 0.00 176.91 179.33 1x52 h LEU 32 N 0.26 0.31 0.33 1.22 5.85 0.41 0.30 115.31 123.99 1x52 h LEU 32 Ca -0.06 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1x52 h LEU 32 Cb 1.46 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1x52 h LEU 32 CO 0.15 0.16 -0.16 1.56 -0.34 0.00 0.00 178.44 179.81 1x52 h GLN 33 N 0.33 -0.42 0.00 1.25 1.08 -0.96 -3.40 115.11 112.98 1x52 h GLN 33 Ca 0.36 0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 57.35 1x52 h GLN 33 Cb 0.94 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 28.43 1x52 h GLN 33 CO -0.10 -0.11 -1.51 0.72 -0.95 0.00 0.00 178.83 176.87 1x52 n HIS 34 N -5.09 0.56 -3.25 2.96 8.25 -0.52 -4.78 115.22 113.36 1x52 n HIS 34 Ca -0.08 0.24 -0.25 0.00 -0.26 0.00 0.00 57.72 57.37 1x52 n HIS 34 Cb 0.26 -0.94 -0.08 0.00 1.12 0.00 0.00 29.99 30.35 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 -4.41 0.79 0.02 -0.41 0.28 0.94 -4.98 120.64 112.87 1x52 n GLU 35 Ca -0.33 -3.35 0.05 0.00 -0.16 0.00 0.00 57.16 53.37 1x52 n GLU 35 Cb 0.66 -1.38 0.22 0.00 1.43 0.00 0.00 31.44 32.36 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 1.59 0.02 0.19 3.44 -0.04 -0.49 -1.02 135.00 138.70 1x52 n PRO 36 Ca 0.23 0.39 0.18 0.00 -0.04 0.00 0.00 63.50 64.26 1x52 n PRO 36 Cb 0.51 -1.56 0.80 0.00 -0.04 0.00 0.00 33.50 33.21 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 -0.57 3.54 3.32 -1.92 -0.20 116.42 120.59 1x52 h ASP 37 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x52 h ASP 37 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1x52 h ASP 37 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1x52 n ARG 38 N -3.49 2.92 -3.65 3.56 1.74 -0.19 -2.37 116.66 115.18 1x52 n ARG 38 Ca 0.03 -2.48 -0.29 0.00 -0.77 0.00 0.00 57.85 54.33 1x52 n ARG 38 Cb 0.48 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 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 -1.17 1.37 -0.10 7.54 0.00 -0.09 -0.82 121.76 128.50 1x52 s ALA 39 Ca 0.40 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.45 1x52 s ALA 39 Cb 0.22 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 1x52 s ALA 39 CO 0.25 -1.80 0.39 -0.06 0.00 0.00 0.00 175.76 174.54 1x52 s PHE 40 N 1.40 3.56 0.06 0.00 0.40 -0.83 -4.90 117.98 117.68 1x52 s PHE 40 Ca 0.12 0.81 -0.01 0.00 -0.60 0.00 0.00 56.93 57.26 1x52 s PHE 40 Cb -0.19 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 1x52 s PHE 40 CO -0.19 0.34 -0.02 1.52 0.70 0.00 0.00 175.22 177.57 1x52 s TYR 41 N 0.04 0.58 0.08 0.36 1.13 -1.26 -1.02 117.35 117.26 1x52 s TYR 41 Ca 0.22 -1.08 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1x52 s TYR 41 Cb -0.15 -0.41 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 1x52 s TYR 41 CO 0.09 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.16 1x52 n GLY 42 N 0.08 -3.51 0.37 5.49 0.00 0.18 -4.34 105.19 103.46 1x52 n GLY 42 Ca -0.13 -0.95 0.01 0.00 0.00 0.00 0.00 46.02 44.95 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 0.47 -1.27 -0.57 0.99 5.85 -1.90 0.08 115.31 118.96 1x52 h LEU 43 Ca 0.00 0.30 0.08 0.00 0.84 0.00 0.00 57.88 59.10 1x52 h LEU 43 Cb 0.00 0.70 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1x52 h LEU 43 CO 0.00 -0.30 0.21 0.50 -0.34 0.00 0.00 178.44 178.51 1x52 h LYS 44 N -0.01 0.39 0.90 1.25 3.64 -1.96 0.50 116.57 121.28 1x52 h LYS 44 Ca 0.38 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 1x52 h LYS 44 Cb 0.63 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1x52 h LYS 44 CO -0.98 0.26 -0.43 1.96 -2.27 0.00 0.00 179.45 177.98 1x52 h GLN 45 N 0.40 -1.16 -1.00 1.90 4.20 -1.18 -3.17 115.11 115.09 1x52 h GLN 45 Ca 0.28 0.08 0.20 0.00 0.06 0.00 0.00 58.65 59.27 1x52 h GLN 45 Cb 0.32 0.26 -0.11 0.00 0.30 0.00 0.00 27.48 28.25 1x52 h GLN 45 CO -0.28 -0.77 0.61 0.28 -0.67 0.00 0.00 178.83 178.00 1x52 h VAL 46 N -1.31 0.67 -0.97 -0.54 2.07 -1.12 0.21 116.25 115.25 1x52 h VAL 46 Ca -0.12 -0.24 0.12 0.00 0.82 0.00 0.00 66.70 67.28 1x52 h VAL 46 Cb 0.93 -0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 1x52 h VAL 46 CO 0.20 0.13 0.62 -0.33 0.02 0.00 0.00 177.57 178.21 1x52 h GLU 47 N 0.69 0.90 0.18 1.57 5.08 -0.92 0.13 114.58 122.22 1x52 h GLU 47 Ca 0.59 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1x52 h GLU 47 Cb 1.00 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1x52 h GLU 47 CO -0.38 0.60 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.92 1x52 h LYS 48 N 0.93 -0.23 -0.77 2.33 3.11 -0.57 -2.74 116.57 118.63 1x52 h LYS 48 Ca 0.48 0.02 0.10 0.00 -2.81 0.00 0.00 60.65 58.44 1x52 h LYS 48 Cb 0.52 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.75 1x52 h LYS 48 CO -0.24 0.15 0.50 0.00 -2.81 0.00 0.00 179.45 177.05 1x52 h ALA 49 N -0.01 1.83 -0.32 5.00 0.00 -1.04 -1.37 119.26 123.35 1x52 h ALA 49 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1x52 h ALA 49 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1x52 h ALA 49 CO 0.04 0.00 0.17 -0.97 0.00 0.00 0.00 179.25 178.49 1x52 h ASN 50 N 0.66 0.26 -0.24 0.00 -0.73 -0.66 -2.06 115.58 112.80 1x52 h ASN 50 Ca 0.36 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.51 1x52 h ASN 50 Cb 0.51 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 1x52 h ASN 50 CO -0.13 0.19 0.06 -0.33 -0.37 0.00 0.00 177.43 176.85 1x52 h GLU 51 N 0.35 0.47 0.00 6.67 5.08 -1.01 0.26 114.58 126.40 1x52 h GLU 51 Ca 0.13 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1x52 h GLU 51 Cb 0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1x52 h GLU 51 CO -0.08 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 1x52 n ALA 52 N -2.48 1.76 -1.89 3.43 0.00 -0.61 -4.87 120.51 115.86 1x52 n ALA 52 Ca 0.01 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.23 1x52 n ALA 52 Cb 0.19 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.46 -1.63 0.07 0.00 2.81 0.08 -4.85 117.12 112.13 1x52 n MET 53 Ca 0.05 0.88 0.13 0.00 -1.81 0.00 0.00 57.70 56.94 1x52 n MET 53 Cb 0.18 -5.33 0.30 0.00 -0.71 0.00 0.00 33.22 27.66 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 -0.47 2.70 -1.90 3.04 0.00 -0.97 -4.82 120.51 118.09 1x52 n ALA 54 Ca -0.18 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 1x52 n ALA 54 Cb 0.58 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -3.11 3.34 -0.05 0.00 1.01 -1.25 -0.48 121.20 120.65 1x52 s ILE 55 Ca 0.09 0.31 -0.18 0.00 0.00 0.00 0.00 60.65 60.87 1x52 s ILE 55 Cb 0.14 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.95 1x52 s ILE 55 CO 0.66 -0.41 0.73 -0.78 0.00 0.00 0.00 174.94 175.14 1x52 h ASP 56 N 14.28 -0.30 -3.54 3.58 3.58 -1.38 -3.34 116.42 129.31 1x52 h ASP 56 Ca -0.32 -0.18 -0.39 0.00 0.42 0.00 0.00 57.03 56.56 1x52 h ASP 56 Cb 1.19 0.08 -0.33 0.00 1.72 0.00 0.00 39.33 41.98 1x52 h ASP 56 CO 1.07 0.20 -0.77 -0.89 -2.88 0.00 0.00 179.24 175.97 1x52 s THR 57 N -3.30 0.48 -0.13 2.25 2.01 -1.21 -0.26 115.64 115.47 1x52 s THR 57 Ca -0.10 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1x52 s THR 57 Cb 0.01 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1x52 s THR 57 CO 0.35 0.20 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.21 1x52 s LEU 58 N 0.75 3.19 -0.19 4.42 2.96 0.12 -0.15 118.68 129.78 1x52 s LEU 58 Ca -0.10 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1x52 s LEU 58 Cb -0.13 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1x52 s LEU 58 CO -0.00 0.21 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.30 1x52 s LEU 59 N 0.11 2.24 -0.00 -0.68 1.43 0.10 -0.40 118.68 121.47 1x52 s LEU 59 Ca -0.02 -0.72 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1x52 s LEU 59 Cb -0.14 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1x52 s LEU 59 CO 0.03 -0.03 -0.05 -0.51 0.23 0.00 0.00 176.35 176.03 1x52 s ILE 60 N 1.29 0.39 0.24 -0.59 2.07 -0.99 -0.85 121.20 122.75 1x52 s ILE 60 Ca 0.03 -0.21 -0.31 0.00 -1.41 0.00 0.00 60.65 58.76 1x52 s ILE 60 Cb -0.14 -0.33 -0.11 0.00 0.13 0.00 0.00 42.46 42.01 1x52 s ILE 60 CO -0.12 0.11 1.58 -0.55 -1.91 0.00 0.00 174.94 174.05 1x52 s SER 61 N -0.11 6.48 0.30 4.50 0.15 0.15 -0.59 113.70 124.59 1x52 s SER 61 Ca 0.02 2.80 0.00 0.00 0.70 0.00 0.00 55.95 59.47 1x52 s SER 61 Cb -0.02 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.19 1x52 s SER 61 CO -0.00 -0.86 1.92 -2.24 1.20 0.00 0.00 173.24 173.26 1x52 h ASP 62 N 5.65 0.91 -0.01 5.45 3.04 -1.21 -0.58 116.42 129.67 1x52 h ASP 62 Ca -0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 1x52 h ASP 62 Cb 1.21 -0.19 -0.00 0.00 -1.04 0.00 0.00 39.33 39.31 1x52 h ASP 62 CO 0.84 0.60 0.14 1.05 -2.04 0.00 0.00 179.24 179.83 1x52 h GLU 63 N 1.04 0.00 0.09 4.15 4.11 -1.88 0.91 114.58 123.00 1x52 h GLU 63 Ca 0.38 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.50 1x52 h GLU 63 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1x52 h GLU 63 CO -0.14 0.00 -1.68 -0.07 0.07 0.00 0.00 179.01 177.20 1x52 h LEU 64 N 0.00 0.30 -1.86 3.06 3.38 -1.50 -2.71 115.31 115.98 1x52 h LEU 64 Ca 0.01 -0.81 0.26 0.00 0.09 0.00 0.00 57.88 57.43 1x52 h LEU 64 Cb 0.28 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1x52 h LEU 64 CO -0.00 1.71 0.66 0.15 0.09 0.00 0.00 178.44 181.05 1x52 h PHE 65 N -0.30 0.15 -1.15 1.13 3.57 -0.18 -1.34 116.94 118.82 1x52 h PHE 65 Ca -0.38 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.63 1x52 h PHE 65 Cb 1.78 -0.04 -0.42 0.00 2.79 0.00 0.00 35.95 40.06 1x52 h PHE 65 CO 0.09 0.03 -0.88 2.89 -2.23 0.00 0.00 178.31 178.21 1x52 n ARG 66 N -4.33 2.83 -1.60 1.11 1.85 0.14 -4.65 116.66 112.01 1x52 n ARG 66 Ca 0.20 -4.08 -0.35 0.00 -1.00 0.00 0.00 57.85 52.62 1x52 n ARG 66 Cb 0.94 -1.98 0.08 0.00 -1.05 0.00 0.00 32.46 30.44 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 -3.49 2.11 0.19 2.89 2.46 -0.51 -4.84 115.29 114.10 1x52 s HIS 67 Ca 0.42 1.56 0.02 0.00 0.47 0.00 0.00 55.06 57.53 1x52 s HIS 67 Cb 0.41 -3.53 0.08 0.00 -0.13 0.00 0.00 32.58 29.41 1x52 s HIS 67 CO -0.08 -2.62 1.44 -0.56 -2.47 0.00 0.00 174.74 170.45 1x52 h GLN 68 N 0.09 0.26 -5.88 2.88 3.07 -1.91 -3.43 115.11 110.19 1x52 h GLN 68 Ca -0.49 -0.23 -0.59 0.00 0.09 0.00 0.00 58.65 57.43 1x52 h GLN 68 Cb 1.31 0.05 -0.08 0.00 0.08 0.00 0.00 27.48 28.84 1x52 h GLN 68 CO 0.51 0.91 0.56 0.34 0.09 0.00 0.00 178.83 181.24 1x52 s ASP 69 N -6.94 6.89 0.24 0.06 -1.08 -1.26 -4.97 116.67 109.62 1x52 s ASP 69 Ca -0.04 1.10 -0.05 0.00 -0.52 0.00 0.00 52.55 53.05 1x52 s ASP 69 Cb 0.11 -2.46 0.44 0.00 -1.46 0.00 0.00 42.92 39.54 1x52 s ASP 69 CO 0.82 -0.57 1.73 0.58 0.52 0.00 0.00 175.17 178.25 1x52 h VAL 70 N 5.45 0.68 -0.24 1.11 2.07 -1.98 0.14 116.25 123.48 1x52 h VAL 70 Ca -0.22 -0.16 -0.15 0.00 0.82 0.00 0.00 66.70 66.99 1x52 h VAL 70 Cb 1.08 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1x52 h VAL 70 CO 0.91 0.08 -0.43 0.00 0.02 0.00 0.00 177.57 178.14 1x52 h ALA 71 N 1.53 0.37 -0.27 1.67 0.00 -1.96 0.26 119.26 120.86 1x52 h ALA 71 Ca 0.40 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1x52 h ALA 71 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x52 h ALA 71 CO -0.39 0.50 0.05 1.15 0.00 0.00 0.00 179.25 180.56 1x52 h THR 72 N 0.43 1.23 -0.31 0.00 2.02 -1.92 -1.63 112.91 112.73 1x52 h THR 72 Ca 0.01 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.48 1x52 h THR 72 Cb 1.04 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 1x52 h THR 72 CO 0.10 0.25 -0.08 -0.09 0.37 0.00 0.00 175.52 176.07 1x52 h ARG 73 N 0.26 -0.00 -0.76 6.66 2.43 -0.62 -2.20 114.38 120.15 1x52 h ARG 73 Ca 0.08 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 1x52 h ARG 73 Cb 0.33 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 1x52 h ARG 73 CO 0.00 -0.00 0.33 1.03 -1.51 0.00 0.00 179.97 179.82 1x52 h SER 74 N -0.00 0.34 0.37 -3.80 0.87 -0.11 0.39 113.55 111.61 1x52 h SER 74 Ca 0.15 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1x52 h SER 74 Cb 0.22 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1x52 h SER 74 CO -0.32 0.14 -0.28 0.03 -0.53 0.00 0.00 176.83 175.87 1x52 h ARG 75 N 0.49 -0.63 -0.10 2.24 3.08 -0.71 0.14 114.38 118.89 1x52 h ARG 75 Ca 0.41 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.53 1x52 h ARG 75 Cb 0.59 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 1x52 h ARG 75 CO -0.38 -0.42 -0.09 1.88 -1.07 0.00 0.00 179.97 179.90 1x52 h TYR 76 N -0.65 -0.21 -0.38 3.04 0.05 -0.80 0.16 116.97 118.17 1x52 h TYR 76 Ca -0.03 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1x52 h TYR 76 Cb 0.57 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.40 1x52 h TYR 76 CO -0.14 -0.13 -0.19 -0.39 -1.05 0.00 0.00 178.16 176.25 1x52 h VAL 77 N -0.10 1.27 -0.03 -2.88 -1.51 -0.85 -0.57 116.25 111.57 1x52 h VAL 77 Ca 0.07 -1.27 -0.00 0.00 -1.23 0.00 0.00 66.70 64.27 1x52 h VAL 77 Cb 0.20 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1x52 h VAL 77 CO -0.16 0.42 0.01 0.03 -1.23 0.00 0.00 177.57 176.64 1x52 h ARG 78 N 0.64 0.04 -0.10 5.19 2.47 -0.41 0.20 114.38 122.41 1x52 h ARG 78 Ca 0.10 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1x52 h ARG 78 Cb 0.68 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.96 1x52 h ARG 78 CO 0.05 0.13 -0.10 1.25 0.56 0.00 0.00 179.97 181.86 1x52 h LEU 79 N -0.06 -0.31 -0.47 3.04 5.85 -0.52 0.14 115.31 122.98 1x52 h LEU 79 Ca 0.01 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1x52 h LEU 79 Cb 0.10 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1x52 h LEU 79 CO -0.00 -0.14 0.09 0.58 -0.34 0.00 0.00 178.44 178.63 1x52 h VAL 80 N -0.13 0.74 0.29 1.05 2.07 -0.95 -1.40 116.25 117.93 1x52 h VAL 80 Ca 0.07 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1x52 h VAL 80 Cb 0.23 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1x52 h VAL 80 CO -0.17 0.04 -0.14 -0.78 0.02 0.00 0.00 177.57 176.54 1x52 h ASP 81 N 0.23 -0.33 0.61 0.57 1.82 -0.32 -3.15 116.42 115.84 1x52 h ASP 81 Ca 0.23 -0.18 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1x52 h ASP 81 Cb 0.30 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1x52 h ASP 81 CO -0.30 0.03 0.00 -1.20 -1.61 0.00 0.00 179.24 176.16 1x52 n SER 82 N -5.12 0.25 -0.08 2.28 7.64 0.42 -0.56 113.62 118.45 1x52 n SER 82 Ca -0.09 0.56 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 1x52 n SER 82 Cb 0.26 -0.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1x52 n SER 82 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1x52 h VAL 83 N 0.00 1.28 -0.21 0.44 2.07 -1.21 -1.13 116.25 117.49 1x52 h VAL 83 Ca 0.00 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.83 1x52 h VAL 83 Cb 0.31 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1x52 h VAL 83 CO 0.00 0.55 0.12 0.11 0.02 0.00 0.00 177.57 178.37 1x52 h LYS 84 N 0.66 0.28 -0.53 1.57 1.57 -0.83 0.17 116.57 119.47 1x52 h LYS 84 Ca 0.03 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1x52 h LYS 84 Cb 1.10 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 1x52 h LYS 84 CO 0.11 0.25 0.05 0.93 -0.57 0.00 0.00 179.45 180.22 1x52 h GLU 85 N 0.24 0.16 -0.08 3.15 4.39 -1.49 -0.93 114.58 120.02 1x52 h GLU 85 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1x52 h GLU 85 Cb 0.05 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1x52 h GLU 85 CO -0.01 0.11 0.00 0.09 -1.16 0.00 0.00 179.01 178.04 1x52 n ASN 86 N -5.19 0.45 0.00 1.42 4.13 -0.43 -4.87 115.26 110.77 1x52 n ASN 86 Ca 0.06 -1.99 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1x52 n ASN 86 Cb 0.28 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 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 -0.26 0.00 -2.01 5.41 0.00 -0.29 -4.86 120.51 118.49 1x52 n ALA 87 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1x52 n ALA 87 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.54 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 -1.78 1.60 -0.06 0.00 0.00 0.46 -4.94 107.32 102.59 1x52 s GLY 88 Ca 0.00 -0.41 -0.23 0.00 0.00 0.00 0.00 44.72 44.09 1x52 s GLY 88 CO 0.00 -0.13 0.68 -1.59 0.00 0.00 0.00 173.10 172.06 1x52 s THR 89 N -3.09 5.04 0.20 0.90 2.01 0.64 -4.04 115.64 117.30 1x52 s THR 89 Ca 0.54 1.41 -0.16 0.00 0.31 0.00 0.00 61.69 63.78 1x52 s THR 89 Cb -0.11 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 1x52 s THR 89 CO 0.49 0.27 0.64 -0.69 -0.69 0.00 0.00 174.62 174.64 1x52 s VAL 90 N 0.71 4.73 -0.04 3.82 1.01 -1.26 -0.70 120.40 128.66 1x52 s VAL 90 Ca 0.36 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.37 1x52 s VAL 90 Cb -0.18 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1x52 s VAL 90 CO 0.18 0.18 -0.09 -0.13 0.00 0.00 0.00 175.10 175.24 1x52 s ARG 91 N -2.10 1.11 -0.24 2.72 1.81 0.47 -4.87 118.95 117.85 1x52 s ARG 91 Ca 0.42 -0.28 0.01 0.00 -1.72 0.00 0.00 55.73 54.16 1x52 s ARG 91 Cb -0.15 -1.01 0.04 0.00 -0.45 0.00 0.00 34.95 33.38 1x52 s ARG 91 CO 0.20 0.04 -0.11 0.42 -0.68 0.00 0.00 175.30 175.17 1x52 s ILE 92 N 0.49 2.35 0.06 1.52 -1.09 -1.26 -2.36 121.20 120.91 1x52 s ILE 92 Ca -0.08 -1.33 -0.18 0.00 -2.23 0.00 0.00 60.65 56.83 1x52 s ILE 92 Cb -0.12 -2.25 -0.06 0.00 -1.58 0.00 0.00 42.46 38.45 1x52 s ILE 92 CO 0.01 0.15 0.52 -0.36 -1.23 0.00 0.00 174.94 174.03 1x52 s PHE 93 N 1.20 3.77 -0.07 3.97 0.40 0.25 -4.85 117.98 122.65 1x52 s PHE 93 Ca -0.04 1.17 -0.22 0.00 -0.60 0.00 0.00 56.93 57.24 1x52 s PHE 93 Cb -0.18 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 1x52 s PHE 93 CO -0.06 0.60 0.66 -1.12 0.70 0.00 0.00 175.22 175.99 1x52 s SER 94 N -1.14 6.95 0.28 1.36 0.01 -1.26 -0.64 113.70 119.25 1x52 s SER 94 Ca 0.28 1.14 0.01 0.00 1.31 0.00 0.00 55.95 58.69 1x52 s SER 94 Cb -0.18 -2.39 0.61 0.00 0.21 0.00 0.00 66.02 64.27 1x52 s SER 94 CO 0.17 -0.08 1.75 0.28 0.41 0.00 0.00 173.24 175.78 1x52 h SER 95 N 6.64 0.55 0.91 2.44 0.02 -1.97 -2.54 113.55 119.59 1x52 h SER 95 Ca -0.41 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1x52 h SER 95 Cb 1.19 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1x52 h SER 95 CO 0.75 0.19 0.00 -0.07 -1.14 0.00 0.00 176.83 176.56 1x52 h LEU 96 N 0.61 0.00 -9.96 5.07 -0.00 -2.00 -3.42 115.31 105.62 1x52 h LEU 96 Ca 0.51 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.82 1x52 h LEU 96 Cb 0.78 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.41 1x52 h LEU 96 CO -0.40 0.00 -0.24 -2.28 -0.00 0.00 0.00 178.44 175.52 1x52 s HIS 97 N -3.51 3.46 0.48 1.13 2.46 -0.96 -5.00 115.29 113.35 1x52 s HIS 97 Ca 0.03 0.66 0.13 0.00 0.47 0.00 0.00 55.06 56.34 1x52 s HIS 97 Cb 0.09 -2.09 1.13 0.00 -0.13 0.00 0.00 32.58 31.58 1x52 s HIS 97 CO 0.48 0.37 2.12 -0.24 -2.47 0.00 0.00 174.74 175.00 1x52 h VAL 98 N 2.01 1.03 -0.19 0.89 3.04 -1.86 0.11 116.25 121.28 1x52 h VAL 98 Ca -0.46 -0.07 0.05 0.00 -1.01 0.00 0.00 66.70 65.21 1x52 h VAL 98 Cb 1.17 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1x52 h VAL 98 CO 0.71 0.04 0.36 0.28 -1.01 0.00 0.00 177.57 177.94 1x52 h SER 99 N 0.20 0.00 0.06 3.17 0.02 -1.94 -1.98 113.55 113.07 1x52 h SER 99 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1x52 h SER 99 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1x52 h SER 99 CO -0.01 0.00 -0.03 1.23 -1.14 0.00 0.00 176.83 176.88 1x52 h GLY 100 N 0.00 -0.08 2.00 -3.77 0.00 -0.93 -0.92 103.07 99.37 1x52 h GLY 100 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1x52 h GLY 100 CO -0.00 -0.03 -0.08 1.05 0.00 0.00 0.00 176.54 177.48 1x52 h GLU 101 N -0.89 0.00 0.34 4.80 4.11 -1.52 0.11 114.58 121.53 1x52 h GLU 101 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1x52 h GLU 101 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1x52 h GLU 101 CO 0.01 0.08 -0.16 1.96 0.07 0.00 0.00 179.01 180.97 1x52 h GLN 102 N 0.00 -0.44 -0.73 1.06 4.20 -1.44 -3.12 115.11 114.64 1x52 h GLN 102 Ca -0.00 0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1x52 h GLN 102 Cb 0.15 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 1x52 h GLN 102 CO 0.01 -0.12 0.48 1.25 -0.67 0.00 0.00 178.83 179.79 1x52 h LEU 103 N -0.82 0.79 -1.48 1.46 5.85 -0.55 -2.85 115.31 117.71 1x52 h LEU 103 Ca -0.05 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1x52 h LEU 103 Cb 0.52 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1x52 h LEU 103 CO 0.08 0.56 0.41 -1.28 -0.34 0.00 0.00 178.44 177.86 1x52 h SER 104 N 0.93 0.56 0.04 1.25 0.87 -0.80 0.29 113.55 116.69 1x52 h SER 104 Ca 0.28 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1x52 h SER 104 Cb -0.01 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1x52 h SER 104 CO -0.07 0.38 -0.01 1.56 -0.53 0.00 0.00 176.83 178.15 1x52 h GLN 105 N 0.65 0.00 -0.50 2.24 4.20 -1.44 -0.30 115.11 119.96 1x52 h GLN 105 Ca 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1x52 h GLN 105 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1x52 h GLN 105 CO -0.08 0.01 0.00 1.28 -0.67 0.00 0.00 178.83 179.38 1x52 n LEU 106 N -3.88 5.33 0.00 1.46 4.77 0.49 -4.91 117.00 120.26 1x52 n LEU 106 Ca -0.03 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.99 1x52 n LEU 106 Cb 0.10 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1x52 n LEU 106 CO 0.28 0.64 0.00 0.35 -1.33 0.00 0.00 177.39 177.33 1x52 n THR 107 N 0.34 0.00 -1.16 -5.08 -2.24 -0.12 -3.13 114.28 102.89 1x52 n THR 107 Ca 0.26 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1x52 n THR 107 Cb 1.13 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 -2.06 0.41 2.93 3.38 0.00 0.71 -4.81 105.19 105.75 1x52 n GLY 108 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.63 0.30 1.61 0.11 -1.24 -0.67 120.40 117.88 1x52 s VAL 109 Ca 0.00 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 1x52 s VAL 109 Cb 0.00 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 1x52 s VAL 109 CO 0.00 -0.13 0.32 0.00 -3.33 0.00 0.00 175.10 171.95 1x52 s ALA 110 N 2.56 1.25 -0.14 1.54 0.00 -0.03 -0.65 121.76 126.30 1x52 s ALA 110 Ca 0.13 -1.75 -0.29 0.00 0.00 0.00 0.00 51.96 50.05 1x52 s ALA 110 Cb -0.15 1.34 0.08 0.00 0.00 0.00 0.00 23.12 24.39 1x52 s ALA 110 CO -0.17 -0.70 0.74 0.00 0.00 0.00 0.00 175.76 175.63 1x52 s ALA 111 N -3.53 -1.80 0.25 0.00 0.00 -0.18 -0.72 121.76 115.77 1x52 s ALA 111 Ca 0.36 1.58 -0.23 0.00 0.00 0.00 0.00 51.96 53.67 1x52 s ALA 111 Cb 0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 1x52 s ALA 111 CO 0.21 -0.35 0.81 0.42 0.00 0.00 0.00 175.76 176.85 1x52 s ILE 112 N -0.67 4.42 -0.12 0.00 1.01 0.78 -1.96 121.20 124.66 1x52 s ILE 112 Ca -0.06 1.53 0.02 0.00 0.00 0.00 0.00 60.65 62.14 1x52 s ILE 112 Cb -0.02 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1x52 s ILE 112 CO 0.06 0.24 -0.19 -0.76 0.00 0.00 0.00 174.94 174.29 1x52 s LEU 113 N -1.87 2.38 0.27 2.97 1.43 0.00 -0.98 118.68 122.89 1x52 s LEU 113 Ca 0.44 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1x52 s LEU 113 Cb -0.18 -1.51 0.52 0.00 0.03 0.00 0.00 46.19 45.05 1x52 s LEU 113 CO 0.23 0.15 1.81 0.03 0.23 0.00 0.00 176.35 178.80 1x52 h ARG 114 N 6.79 0.82 -4.39 1.70 3.08 -1.10 -3.44 114.38 117.85 1x52 h ARG 114 Ca -0.24 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 59.56 1x52 h ARG 114 Cb 1.22 -0.19 -0.18 0.00 0.08 0.00 0.00 29.97 30.90 1x52 h ARG 114 CO 0.52 0.55 -0.71 -0.59 -1.07 0.00 0.00 179.97 178.67 1x52 s PHE 115 N -5.97 0.61 -0.46 3.04 -0.12 -1.26 -5.10 117.98 108.72 1x52 s PHE 115 Ca -0.12 -0.74 -0.28 0.00 -0.05 0.00 0.00 56.93 55.74 1x52 s PHE 115 Cb 0.22 -0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.22 1x52 s PHE 115 CO 0.80 -0.19 1.66 -1.25 -0.05 0.00 0.00 175.22 176.18 1x52 s PRO 116 N -2.64 3.21 0.30 1.99 0.04 -1.26 -4.73 135.00 131.91 1x52 s PRO 116 Ca -0.02 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 1x52 s PRO 116 Cb -0.02 -4.19 -0.10 0.00 0.04 0.00 0.00 34.50 30.22 1x52 s PRO 116 CO -0.03 -2.02 1.44 0.08 0.04 0.00 0.00 177.00 176.50 1x52 s VAL 117 N 6.94 2.48 -0.95 -0.36 1.01 -1.00 -4.89 120.40 123.63 1x52 s VAL 117 Ca 0.67 0.43 -0.24 0.00 0.00 0.00 0.00 61.98 62.85 1x52 s VAL 117 Cb -0.16 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1x52 s VAL 117 CO 0.29 0.08 1.72 -2.16 0.00 0.00 0.00 175.10 175.03 1x52 s PRO 118 N -1.05 3.02 0.16 2.72 0.04 -1.26 -4.91 135.00 133.71 1x52 s PRO 118 Ca 0.56 -0.64 0.03 0.00 0.04 0.00 0.00 61.00 61.00 1x52 s PRO 118 Cb -0.43 -5.17 -0.05 0.00 0.04 0.00 0.00 34.50 28.89 1x52 s PRO 118 CO 0.50 -2.84 -0.05 -1.12 0.04 0.00 0.00 177.00 173.53 1x52 s SER 119 N 6.65 1.51 0.26 6.66 0.01 -1.26 -5.14 113.70 122.38 1x52 s SER 119 Ca 0.59 -1.09 0.02 0.00 1.31 0.00 0.00 55.95 56.78 1x52 s SER 119 Cb -0.04 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.19 1x52 s SER 119 CO -0.04 -0.45 0.08 -0.83 0.41 0.00 0.00 173.24 172.41 1x52 s GLY 120 N -3.17 1.74 0.34 3.44 0.00 -1.26 -5.05 107.32 103.36 1x52 s GLY 120 Ca 0.20 -1.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.03 1x52 s GLY 120 CO 0.02 -1.61 0.56 2.56 0.00 0.00 0.00 173.10 174.63 1x52 s PRO 121 N -4.01 3.52 0.15 2.90 0.04 -1.26 -5.13 135.00 131.21 1x52 s PRO 121 Ca 0.37 -0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.04 1x52 s PRO 121 Cb 0.08 -2.64 0.03 0.00 0.04 0.00 0.00 34.50 32.01 1x52 s PRO 121 CO 0.13 0.14 0.42 0.45 0.04 0.00 0.00 177.00 178.19 1x52 s SER 122 N -3.81 -0.22 0.68 6.66 0.15 -1.26 -5.18 113.70 110.73 1x52 s SER 122 Ca 0.41 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1x52 s SER 122 Cb -0.10 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1x52 s SER 122 CO 0.35 -0.91 0.00 -0.24 1.20 0.00 0.00 173.24 173.64 1x52 n SER 123 N -0.26 -0.52 0.00 5.45 2.88 -1.26 -5.34 113.62 114.57 1x52 n SER 123 Ca -0.14 -0.42 0.07 0.00 -1.33 0.00 0.00 58.87 57.05 1x52 n SER 123 Cb 0.63 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.51 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42