#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 -8.60 -3.88 1.61 7.64 -1.26 -5.11 113.62 104.02 1x52 n SER 2 Ca 0.00 1.31 -0.10 0.00 1.01 0.00 0.00 58.87 61.10 1x52 n SER 2 Cb 0.00 -4.84 -0.09 0.00 -1.01 0.00 0.00 64.21 58.27 1x52 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x52 s SER 3 N -3.65 0.11 0.78 6.43 0.01 -1.26 -5.16 113.70 110.97 1x52 s SER 3 Ca 0.00 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 1x52 s SER 3 Cb 0.00 0.27 0.06 0.00 0.21 0.00 0.00 66.02 66.56 1x52 s SER 3 CO 0.00 -0.57 1.09 -0.83 0.41 0.00 0.00 173.24 173.34 1x52 s GLY 4 N -2.26 1.67 -0.20 3.44 0.00 -1.26 -5.09 107.32 103.62 1x52 s GLY 4 Ca -0.03 0.20 -0.09 0.00 0.00 0.00 0.00 44.72 44.79 1x52 s GLY 4 CO -0.06 0.56 0.46 -0.45 0.00 0.00 0.00 173.10 173.61 1x52 s SER 5 N -3.45 -0.51 0.94 1.64 0.15 -1.26 -5.15 113.70 106.06 1x52 s SER 5 Ca 0.61 1.04 0.00 0.00 0.70 0.00 0.00 55.95 58.30 1x52 s SER 5 Cb -0.17 1.11 0.00 0.00 -1.71 0.00 0.00 66.02 65.25 1x52 s SER 5 CO 0.56 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.55 1x52 n SER 6 N 4.70 -4.22 0.00 5.45 2.88 -1.26 -5.08 113.62 116.09 1x52 n SER 6 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1x52 n SER 6 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.00 -1.31 3.76 0.46 0.00 -1.26 -5.15 105.19 101.69 1x52 n GLY 7 Ca 0.00 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.92 3.02 0.14 2.61 -1.32 -1.26 -5.06 115.64 110.84 1x52 s THR 8 Ca 0.00 0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 60.94 1x52 s THR 8 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 1x52 s THR 8 CO 0.00 -0.28 0.10 0.68 -2.21 0.00 0.00 174.62 172.90 1x52 s VAL 9 N -2.24 0.09 0.55 5.08 -7.23 -1.26 -5.14 120.40 110.25 1x52 s VAL 9 Ca 0.69 -1.83 -0.22 0.00 -1.81 0.00 0.00 61.98 58.81 1x52 s VAL 9 Cb -0.23 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.64 1x52 s VAL 9 CO 0.42 -0.42 1.36 0.00 -0.31 0.00 0.00 175.10 176.15 1x52 s ALA 10 N -4.04 2.79 0.09 1.32 0.00 -1.26 -5.05 121.76 115.61 1x52 s ALA 10 Ca 0.23 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.52 1x52 s ALA 10 Cb 0.07 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1x52 s ALA 10 CO 0.02 -1.41 0.03 -1.54 0.00 0.00 0.00 175.76 172.85 1x52 s SER 11 N -0.96 0.38 0.12 0.00 1.04 -1.26 -5.18 113.70 107.85 1x52 s SER 11 Ca 0.72 -1.07 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1x52 s SER 11 Cb -0.41 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 1x52 s SER 11 CO 0.48 -0.67 0.04 -0.13 0.98 0.00 0.00 173.24 173.94 1x52 s ARG 12 N -3.97 0.90 0.05 4.02 0.52 -1.26 -5.06 118.95 114.15 1x52 s ARG 12 Ca 0.14 -1.42 -0.34 0.00 -0.52 0.00 0.00 55.73 53.59 1x52 s ARG 12 Cb 0.07 0.22 -0.19 0.00 0.52 0.00 0.00 34.95 35.57 1x52 s ARG 12 CO -0.05 -0.24 1.45 1.25 0.02 0.00 0.00 175.30 177.73 1x52 h LEU 13 N 2.89 -1.02 -3.06 2.53 7.12 -2.03 -3.49 115.31 118.25 1x52 h LEU 13 Ca -0.35 0.03 -0.17 0.00 0.13 0.00 0.00 57.88 57.52 1x52 h LEU 13 Cb 1.19 0.26 0.01 0.00 -0.53 0.00 0.00 40.66 41.60 1x52 h LEU 13 CO 0.60 -0.69 -0.98 -0.24 -0.13 0.00 0.00 178.44 177.00 1x52 n SER 14 N -5.58 -6.61 -1.84 1.25 2.88 -1.26 -4.37 113.62 98.09 1x52 n SER 14 Ca -0.15 0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.70 1x52 n SER 14 Cb 0.48 -2.92 -0.01 0.00 -0.75 0.00 0.00 64.21 61.01 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 0.24 -2.33 -0.28 -3.46 2.03 -1.26 -3.06 116.55 108.43 1x52 n ASP 15 Ca -0.01 0.41 0.04 0.00 0.52 0.00 0.00 54.79 55.75 1x52 n ASP 15 Cb 0.51 -2.29 0.09 0.00 -0.72 0.00 0.00 41.12 38.71 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 0.40 -0.33 0.07 5.18 -1.04 -1.26 -0.26 114.28 117.03 1x52 n THR 16 Ca -0.08 1.76 -0.13 0.00 -2.04 0.00 0.00 64.05 63.56 1x52 n THR 16 Cb 0.13 -2.42 -0.08 0.00 -1.82 0.00 0.00 70.33 66.14 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 -0.16 -1.00 -2.82 1.63 -1.98 -2.70 116.57 109.54 1x52 h LYS 17 Ca 0.35 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.21 1x52 h LYS 17 Cb 0.54 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.15 1x52 h LYS 17 CO -0.78 0.14 0.66 0.00 -3.45 0.00 0.00 179.45 176.01 1x52 h ALA 18 N 0.36 1.36 0.00 5.00 0.00 -1.05 -2.80 119.26 122.12 1x52 h ALA 18 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x52 h ALA 18 Cb 0.38 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1x52 h ALA 18 CO 0.03 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 1x52 h ALA 19 N 1.43 1.86 0.22 0.00 0.00 -0.36 0.27 119.26 122.68 1x52 h ALA 19 Ca 0.41 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.97 1x52 h ALA 19 Cb 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.87 1x52 h ALA 19 CO -0.14 0.04 -1.42 0.78 0.00 0.00 0.00 179.25 178.51 1x52 h GLY 20 N 0.11 0.60 0.81 0.00 0.00 -1.22 -1.76 103.07 101.60 1x52 h GLY 20 Ca -0.00 -1.48 -0.00 0.00 0.00 0.00 0.00 47.33 45.85 1x52 h GLY 20 CO 0.00 1.29 -0.02 0.83 0.00 0.00 0.00 176.54 178.65 1x52 h GLU 21 N 0.16 -0.04 -0.17 4.80 3.07 -1.33 -1.94 114.58 119.13 1x52 h GLU 21 Ca -0.23 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.68 1x52 h GLU 21 Cb 2.11 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.98 1x52 h GLU 21 CO 0.26 0.16 -0.14 0.28 -1.40 0.00 0.00 179.01 178.17 1x52 h VAL 22 N -0.24 0.61 -0.68 3.13 2.07 -0.60 -0.67 116.25 119.88 1x52 h VAL 22 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1x52 h VAL 22 Cb 0.22 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1x52 h VAL 22 CO 0.01 0.00 0.27 0.50 0.02 0.00 0.00 177.57 178.37 1x52 h LYS 23 N -0.15 0.43 0.07 1.57 3.11 -1.09 0.18 116.57 120.69 1x52 h LYS 23 Ca 0.10 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1x52 h LYS 23 Cb 0.30 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 1x52 h LYS 23 CO -0.26 0.29 -0.03 0.00 -2.81 0.00 0.00 179.45 176.64 1x52 h ALA 24 N 1.47 -0.09 -0.47 5.00 0.00 -0.87 -1.28 119.26 123.01 1x52 h ALA 24 Ca 0.35 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1x52 h ALA 24 Cb 0.46 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1x52 h ALA 24 CO -0.34 -0.51 0.17 1.25 0.00 0.00 0.00 179.25 179.82 1x52 h LEU 25 N -0.17 0.19 -0.38 0.00 5.85 0.08 -0.21 115.31 120.66 1x52 h LEU 25 Ca -0.01 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1x52 h LEU 25 Cb 0.14 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1x52 h LEU 25 CO 0.02 0.14 0.22 -0.78 -0.34 0.00 0.00 178.44 177.69 1x52 h ASP 26 N 0.35 0.36 0.22 1.25 3.58 -0.61 0.48 116.42 122.05 1x52 h ASP 26 Ca 0.22 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.48 1x52 h ASP 26 Cb 0.22 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1x52 h ASP 26 CO -0.22 0.26 -0.76 -0.78 -2.88 0.00 0.00 179.24 174.86 1x52 h ASP 27 N 0.45 0.54 0.70 2.28 3.58 -0.89 -2.23 116.42 120.86 1x52 h ASP 27 Ca 0.15 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 1x52 h ASP 27 Cb 0.01 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 40.90 1x52 h ASP 27 CO -0.07 1.11 -0.34 0.15 -2.88 0.00 0.00 179.24 177.22 1x52 h PHE 28 N 0.30 -0.87 -0.60 0.28 3.57 -0.87 -3.01 116.94 115.74 1x52 h PHE 28 Ca -0.04 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1x52 h PHE 28 Cb 1.35 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 1x52 h PHE 28 CO 0.05 -0.52 0.40 1.88 -2.23 0.00 0.00 178.31 177.89 1x52 h TYR 29 N -1.01 0.67 -0.31 0.41 0.05 -0.85 -0.40 116.97 115.52 1x52 h TYR 29 Ca -0.10 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.77 1x52 h TYR 29 Cb 0.74 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 38.17 1x52 h TYR 29 CO -0.01 0.39 -0.28 -0.22 -1.05 0.00 0.00 178.16 176.99 1x52 h LYS 30 N 0.70 -0.24 -0.56 4.88 3.64 -1.37 -0.51 116.57 123.10 1x52 h LYS 30 Ca 0.24 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1x52 h LYS 30 Cb 0.10 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1x52 h LYS 30 CO -0.07 -0.16 0.37 0.52 -2.27 0.00 0.00 179.45 177.84 1x52 h MET 31 N -0.25 0.73 -0.21 1.90 2.86 -1.06 0.19 114.93 119.10 1x52 h MET 31 Ca 0.16 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.81 1x52 h MET 31 Cb 0.50 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1x52 h MET 31 CO -0.46 0.49 0.24 1.25 1.06 0.00 0.00 176.91 179.49 1x52 h LEU 32 N 0.76 0.00 0.00 1.22 5.85 0.30 0.23 115.31 123.66 1x52 h LEU 32 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1x52 h LEU 32 Cb -0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1x52 h LEU 32 CO -0.05 0.00 -0.25 1.56 -0.34 0.00 0.00 178.44 179.36 1x52 h GLN 33 N 0.00 0.00 0.57 1.25 1.08 -0.76 -3.41 115.11 113.84 1x52 h GLN 33 Ca 0.10 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 1x52 h GLN 33 Cb 0.58 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1x52 h GLN 33 CO -0.00 0.00 -0.27 0.45 -0.95 0.00 0.00 178.83 178.06 1x52 h HIS 34 N -0.76 -0.71 -2.56 2.96 3.86 -0.20 -3.40 115.15 114.34 1x52 h HIS 34 Ca 0.00 -0.02 -0.60 0.00 -1.16 0.00 0.00 60.37 58.60 1x52 h HIS 34 Cb 0.25 0.23 -0.39 0.00 1.06 0.00 0.00 27.41 28.57 1x52 h HIS 34 CO -0.11 -0.42 -0.87 -1.83 0.86 0.00 0.00 177.93 175.56 1x52 s GLU 35 N -4.21 1.27 0.00 2.45 -1.05 0.72 -5.01 118.70 112.87 1x52 s GLU 35 Ca -0.12 -2.38 0.10 0.00 -0.15 0.00 0.00 54.97 52.42 1x52 s GLU 35 Cb 0.01 -1.91 0.45 0.00 -0.44 0.00 0.00 34.13 32.25 1x52 s GLU 35 CO 0.38 -1.35 1.24 -0.35 0.95 0.00 0.00 175.26 176.13 1x52 n PRO 36 N 2.69 0.08 0.06 -4.83 -0.04 -0.70 -1.30 135.00 130.96 1x52 n PRO 36 Ca 0.26 0.26 -0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1x52 n PRO 36 Cb 0.44 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 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 -0.95 0.00 3.54 5.19 -1.95 -2.95 116.42 119.31 1x52 h ASP 37 Ca 0.00 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1x52 h ASP 37 Cb 0.12 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.02 1x52 h ASP 37 CO 0.00 -0.38 0.00 0.54 -3.12 0.00 0.00 179.24 176.28 1x52 n ARG 38 N -5.41 0.80 -3.79 3.56 1.74 -0.42 -4.20 116.66 108.94 1x52 n ARG 38 Ca -0.05 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.73 1x52 n ARG 38 Cb 0.32 -1.04 -0.14 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.90 2.08 0.01 7.54 0.00 -1.11 -1.19 121.76 127.19 1x52 s ALA 39 Ca 0.00 -2.20 -0.14 0.00 0.00 0.00 0.00 51.96 49.62 1x52 s ALA 39 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 1x52 s ALA 39 CO 0.00 -1.81 0.41 -0.06 0.00 0.00 0.00 175.76 174.30 1x52 s PHE 40 N 1.01 3.71 0.05 0.00 0.40 -0.89 -4.89 117.98 117.37 1x52 s PHE 40 Ca 0.13 0.97 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 1x52 s PHE 40 Cb -0.20 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 1x52 s PHE 40 CO -0.13 0.63 -0.02 1.52 0.70 0.00 0.00 175.22 177.92 1x52 s TYR 41 N -1.12 0.50 0.17 0.36 1.13 -1.26 -1.04 117.35 116.08 1x52 s TYR 41 Ca 0.25 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 1x52 s TYR 41 Cb -0.16 -0.37 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 1x52 s TYR 41 CO 0.14 -0.38 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 1x52 n GLY 42 N 0.15 -3.43 0.31 5.49 0.00 -0.01 -4.27 105.19 103.44 1x52 n GLY 42 Ca -0.14 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 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 0.41 -0.91 -0.16 0.99 5.85 -1.91 -1.36 115.31 118.23 1x52 h LEU 43 Ca 0.00 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1x52 h LEU 43 Cb 0.06 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1x52 h LEU 43 CO 0.00 -0.27 -0.00 0.50 -0.34 0.00 0.00 178.44 178.33 1x52 h LYS 44 N -0.07 0.05 0.58 1.25 1.63 -1.99 0.50 116.57 118.52 1x52 h LYS 44 Ca 0.30 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.08 1x52 h LYS 44 Cb 0.55 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1x52 h LYS 44 CO -0.74 0.03 -0.32 1.96 -3.45 0.00 0.00 179.45 176.93 1x52 h GLN 45 N 0.05 -0.81 -0.98 1.90 4.20 -1.43 -2.06 115.11 115.98 1x52 h GLN 45 Ca 0.07 0.06 0.22 0.00 0.06 0.00 0.00 58.65 59.06 1x52 h GLN 45 Cb 0.09 0.18 -0.12 0.00 0.30 0.00 0.00 27.48 27.94 1x52 h GLN 45 CO -0.13 -0.54 0.56 0.28 -0.67 0.00 0.00 178.83 178.33 1x52 h VAL 46 N -0.84 0.57 -0.59 -0.54 2.07 -1.29 0.14 116.25 115.77 1x52 h VAL 46 Ca -0.07 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1x52 h VAL 46 Cb 0.67 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1x52 h VAL 46 CO 0.10 0.11 0.39 -0.33 0.02 0.00 0.00 177.57 177.86 1x52 h GLU 47 N 0.59 0.74 0.00 1.57 5.08 -0.23 0.20 114.58 122.54 1x52 h GLU 47 Ca 0.61 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.90 1x52 h GLU 47 Cb 1.09 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1x52 h GLU 47 CO -0.46 0.49 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.74 1x52 h LYS 48 N 0.76 0.05 -0.97 2.33 1.63 -0.30 -3.11 116.57 116.96 1x52 h LYS 48 Ca 0.22 -0.05 0.09 0.00 -0.85 0.00 0.00 60.65 60.06 1x52 h LYS 48 Cb -0.03 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 1x52 h LYS 48 CO -0.05 0.86 0.62 0.00 -3.45 0.00 0.00 179.45 177.43 1x52 h ALA 49 N 0.19 1.51 -0.23 5.00 0.00 -0.65 -1.93 119.26 123.15 1x52 h ALA 49 Ca -0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1x52 h ALA 49 Cb 0.89 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1x52 h ALA 49 CO 0.01 0.30 -0.08 -0.97 0.00 0.00 0.00 179.25 178.51 1x52 h ASN 50 N 1.03 -0.28 0.15 0.00 -0.73 -0.65 -0.92 115.58 114.18 1x52 h ASN 50 Ca 0.45 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.69 1x52 h ASN 50 Cb 0.34 0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.10 1x52 h ASN 50 CO -0.20 -0.11 0.00 -0.33 -0.37 0.00 0.00 177.43 176.42 1x52 h GLU 51 N -0.04 0.00 0.00 6.67 5.08 -1.29 -1.55 114.58 123.46 1x52 h GLU 51 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1x52 h GLU 51 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1x52 h GLU 51 CO -0.25 0.00 -0.32 0.00 -1.00 0.00 0.00 179.01 177.43 1x52 n ALA 52 N -1.85 3.05 -3.74 3.43 0.00 -0.36 -4.96 120.51 116.08 1x52 n ALA 52 Ca -0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 1x52 n ALA 52 Cb 0.08 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.57 -3.61 0.00 0.00 2.81 -0.58 -4.93 117.12 109.24 1x52 n MET 53 Ca 0.06 0.54 0.00 0.00 -1.81 0.00 0.00 57.70 56.49 1x52 n MET 53 Cb 0.35 -4.82 0.00 0.00 -0.71 0.00 0.00 33.22 28.03 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 -4.24 1.52 -2.22 3.04 0.00 -1.25 -5.01 120.51 112.36 1x52 n ALA 54 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1x52 n ALA 54 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.43 3.90 -0.16 0.00 1.01 -1.26 -0.65 121.20 122.61 1x52 s ILE 55 Ca 0.00 1.05 -0.13 0.00 0.00 0.00 0.00 60.65 61.58 1x52 s ILE 55 Cb 0.00 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 1x52 s ILE 55 CO 0.00 -0.22 -0.13 -0.67 0.00 0.00 0.00 174.94 173.92 1x52 n ASP 56 N 7.49 1.84 -3.96 3.58 2.03 -0.61 -4.30 116.55 122.62 1x52 n ASP 56 Ca 0.16 0.55 -0.25 0.00 0.52 0.00 0.00 54.79 55.78 1x52 n ASP 56 Cb 0.45 -0.87 -0.17 0.00 -0.72 0.00 0.00 41.12 39.81 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 -2.36 0.99 -0.09 5.18 2.01 -1.23 -1.49 115.64 118.66 1x52 s THR 57 Ca -0.20 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 1x52 s THR 57 Cb 0.04 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1x52 s THR 57 CO 0.33 0.34 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.33 1x52 s LEU 58 N 1.07 3.26 -0.13 4.42 2.96 -1.19 -0.60 118.68 128.46 1x52 s LEU 58 Ca -0.07 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1x52 s LEU 58 Cb -0.14 -1.73 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1x52 s LEU 58 CO -0.01 0.31 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.36 1x52 s LEU 59 N -0.50 2.18 -0.01 -0.68 1.43 0.35 -1.93 118.68 119.53 1x52 s LEU 59 Ca 0.08 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1x52 s LEU 59 Cb -0.12 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1x52 s LEU 59 CO 0.02 0.10 0.03 -0.51 0.23 0.00 0.00 176.35 176.21 1x52 s ILE 60 N 0.71 0.02 0.18 -0.59 2.07 -1.11 -0.93 121.20 121.55 1x52 s ILE 60 Ca -0.09 -0.13 -0.30 0.00 -1.41 0.00 0.00 60.65 58.71 1x52 s ILE 60 Cb -0.16 -0.09 -0.08 0.00 0.13 0.00 0.00 42.46 42.26 1x52 s ILE 60 CO 0.01 -0.07 1.26 -0.44 -1.91 0.00 0.00 174.94 173.78 1x52 s SER 61 N -0.21 6.99 0.40 4.50 0.01 -0.06 -1.15 113.70 124.17 1x52 s SER 61 Ca -0.02 2.30 0.11 0.00 1.31 0.00 0.00 55.95 59.64 1x52 s SER 61 Cb -0.02 -2.61 0.91 0.00 0.21 0.00 0.00 66.02 64.52 1x52 s SER 61 CO -0.00 -0.46 1.95 -2.24 0.41 0.00 0.00 173.24 172.90 1x52 h ASP 62 N 5.49 0.50 -0.14 2.44 3.04 -1.26 -1.28 116.42 125.22 1x52 h ASP 62 Ca -0.44 0.01 0.04 0.00 -3.24 0.00 0.00 57.03 53.40 1x52 h ASP 62 Cb 1.21 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.41 1x52 h ASP 62 CO 0.77 0.30 0.33 1.05 -2.04 0.00 0.00 179.24 179.64 1x52 h GLU 63 N 0.55 0.00 0.07 4.15 4.11 -1.92 0.59 114.58 122.13 1x52 h GLU 63 Ca 0.32 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.48 1x52 h GLU 63 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1x52 h GLU 63 CO -0.11 0.00 -1.48 -0.07 0.07 0.00 0.00 179.01 177.42 1x52 h LEU 64 N 0.00 0.22 -2.22 3.06 3.38 -1.59 -3.06 115.31 115.11 1x52 h LEU 64 Ca 0.06 -0.75 0.01 0.00 0.09 0.00 0.00 57.88 57.30 1x52 h LEU 64 Cb 0.72 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1x52 h LEU 64 CO -0.00 1.62 0.26 0.15 0.09 0.00 0.00 178.44 180.56 1x52 h PHE 65 N -0.50 0.00 0.00 1.13 3.57 -0.79 -1.96 116.94 118.38 1x52 h PHE 65 Ca -0.35 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1x52 h PHE 65 Cb 1.63 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1x52 h PHE 65 CO 0.10 0.00 -0.19 2.89 -2.23 0.00 0.00 178.31 178.89 1x52 n ARG 66 N -3.00 0.91 -1.57 1.11 1.85 -0.29 -4.80 116.66 110.87 1x52 n ARG 66 Ca -0.02 -2.17 -0.41 0.00 -1.00 0.00 0.00 57.85 54.25 1x52 n ARG 66 Cb 0.32 -1.20 0.01 0.00 -1.05 0.00 0.00 32.46 30.55 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 -0.98 0.77 -0.08 2.89 -0.00 -0.74 -4.91 115.22 112.16 1x52 n HIS 67 Ca 0.12 0.56 -0.07 0.00 0.46 0.00 0.00 57.72 58.79 1x52 n HIS 67 Cb 0.67 -2.17 -0.00 0.00 -0.12 0.00 0.00 29.99 28.37 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 1.29 -0.15 -6.53 1.57 3.07 -1.91 -3.41 115.11 109.03 1x52 h GLN 68 Ca -0.44 0.01 -0.56 0.00 0.09 0.00 0.00 58.65 57.75 1x52 h GLN 68 Cb 1.35 0.03 -0.06 0.00 0.08 0.00 0.00 27.48 28.89 1x52 h GLN 68 CO 0.55 -0.10 1.06 0.34 0.09 0.00 0.00 178.83 180.77 1x52 s ASP 69 N -5.10 6.32 0.44 0.06 2.15 -1.26 -4.90 116.67 114.38 1x52 s ASP 69 Ca -0.14 0.62 0.17 0.00 0.43 0.00 0.00 52.55 53.63 1x52 s ASP 69 Cb 0.13 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 41.31 1x52 s ASP 69 CO 0.69 -1.49 1.93 0.58 -0.17 0.00 0.00 175.17 176.71 1x52 h VAL 70 N 6.41 0.79 0.61 1.11 2.07 -1.99 0.69 116.25 125.94 1x52 h VAL 70 Ca -0.27 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1x52 h VAL 70 Cb 1.10 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1x52 h VAL 70 CO 1.12 0.07 -0.29 0.00 0.02 0.00 0.00 177.57 178.48 1x52 h ALA 71 N 1.66 -1.12 -0.56 1.67 0.00 -1.95 0.59 119.26 119.56 1x52 h ALA 71 Ca 0.35 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1x52 h ALA 71 Cb 0.86 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1x52 h ALA 71 CO -0.10 -1.06 0.24 1.15 0.00 0.00 0.00 179.25 179.48 1x52 h THR 72 N -0.89 0.86 -0.26 0.00 2.02 -1.84 -1.37 112.91 111.43 1x52 h THR 72 Ca -0.08 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1x52 h THR 72 Cb 0.63 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1x52 h THR 72 CO 0.14 0.08 0.04 -0.09 0.37 0.00 0.00 175.52 176.06 1x52 h ARG 73 N 0.45 0.13 -0.37 6.66 2.43 -0.92 -2.04 114.38 120.73 1x52 h ARG 73 Ca 0.27 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 1x52 h ARG 73 Cb 0.26 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1x52 h ARG 73 CO -0.24 0.08 0.26 0.77 -1.51 0.00 0.00 179.97 179.33 1x52 h SER 74 N 0.13 0.11 0.69 -3.80 0.02 0.17 -0.89 113.55 109.98 1x52 h SER 74 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1x52 h SER 74 Cb 0.13 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1x52 h SER 74 CO -0.17 0.07 -0.33 0.03 -1.14 0.00 0.00 176.83 175.29 1x52 h ARG 75 N 0.12 -0.89 -0.10 3.45 3.08 -0.61 -1.91 114.38 117.53 1x52 h ARG 75 Ca 0.17 0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.32 1x52 h ARG 75 Cb 0.52 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 1x52 h ARG 75 CO -0.02 -0.56 -0.23 1.88 -1.07 0.00 0.00 179.97 179.97 1x52 h TYR 76 N -1.13 -0.61 -0.73 3.04 0.05 -0.92 0.10 116.97 116.77 1x52 h TYR 76 Ca -0.09 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1x52 h TYR 76 Cb 0.74 0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 1x52 h TYR 76 CO -0.00 -0.31 0.31 -0.39 -1.05 0.00 0.00 178.16 176.72 1x52 h VAL 77 N -0.31 1.24 -0.25 -2.88 -1.51 -1.29 0.68 116.25 111.95 1x52 h VAL 77 Ca 0.09 -0.74 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 1x52 h VAL 77 Cb 0.44 0.35 -0.01 0.00 -2.13 0.00 0.00 31.29 29.94 1x52 h VAL 77 CO -0.28 0.30 0.09 0.03 -1.23 0.00 0.00 177.57 176.49 1x52 h ARG 78 N 1.05 0.38 -0.18 5.19 3.08 -0.78 -0.10 114.38 123.02 1x52 h ARG 78 Ca 0.25 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.09 1x52 h ARG 78 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1x52 h ARG 78 CO -0.02 0.44 -0.46 1.25 -1.07 0.00 0.00 179.97 180.10 1x52 h LEU 79 N 0.24 0.50 -0.21 3.04 5.85 -0.47 0.31 115.31 124.57 1x52 h LEU 79 Ca 0.08 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1x52 h LEU 79 Cb 0.21 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1x52 h LEU 79 CO -0.00 0.89 0.08 0.58 -0.34 0.00 0.00 178.44 179.65 1x52 h VAL 80 N 0.38 0.97 -0.64 1.05 2.07 -0.79 -0.89 116.25 118.38 1x52 h VAL 80 Ca 0.02 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1x52 h VAL 80 Cb 0.95 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1x52 h VAL 80 CO 0.08 0.03 0.42 0.44 0.02 0.00 0.00 177.57 178.57 1x52 h ASP 81 N 0.19 0.73 0.78 0.57 3.32 -0.18 -2.39 116.42 119.44 1x52 h ASP 81 Ca 0.09 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1x52 h ASP 81 Cb 0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1x52 h ASP 81 CO -0.08 0.52 -0.29 0.28 -1.72 0.00 0.00 179.24 177.96 1x52 h SER 82 N 0.86 0.00 -0.40 6.45 0.02 -0.29 -0.43 113.55 119.76 1x52 h SER 82 Ca 0.24 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.09 1x52 h SER 82 Cb -0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1x52 h SER 82 CO -0.06 0.29 -0.14 0.58 -1.14 0.00 0.00 176.83 176.36 1x52 h VAL 83 N 0.00 1.28 -0.77 2.27 2.07 -0.75 -1.99 116.25 118.36 1x52 h VAL 83 Ca -0.00 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 1x52 h VAL 83 Cb 0.75 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1x52 h VAL 83 CO 0.04 0.42 0.27 0.11 0.02 0.00 0.00 177.57 178.42 1x52 h LYS 84 N 0.60 1.18 -0.52 1.57 1.57 -0.86 0.10 116.57 120.21 1x52 h LYS 84 Ca 0.09 -0.24 0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1x52 h LYS 84 Cb 0.68 -0.18 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 1x52 h LYS 84 CO 0.05 0.98 -0.05 0.93 -0.57 0.00 0.00 179.45 180.79 1x52 h GLU 85 N 1.14 0.07 -0.96 3.15 4.39 -1.04 -2.42 114.58 118.91 1x52 h GLU 85 Ca 0.25 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.87 1x52 h GLU 85 Cb 0.27 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.86 1x52 h GLU 85 CO -0.01 0.05 0.10 0.09 -1.16 0.00 0.00 179.01 178.07 1x52 n ASN 86 N -5.29 2.77 -1.33 1.42 4.13 -0.75 -4.82 115.26 111.39 1x52 n ASN 86 Ca 0.06 -2.32 -0.16 0.00 1.68 0.00 0.00 54.58 53.84 1x52 n ASN 86 Cb 0.29 -0.57 -0.05 0.00 -1.54 0.00 0.00 39.78 37.91 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 0.12 -0.29 -2.62 5.41 0.00 -0.91 -4.84 120.51 117.39 1x52 n ALA 87 Ca 0.11 0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.53 1x52 n ALA 87 Cb 0.66 -1.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.72 1.41 0.64 0.00 0.00 0.30 -4.99 107.32 101.96 1x52 s GLY 88 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 44.72 43.79 1x52 s GLY 88 CO 0.00 -0.77 1.00 -1.59 0.00 0.00 0.00 173.10 171.74 1x52 s THR 89 N -2.32 3.84 0.12 0.90 2.01 -0.56 -4.06 115.64 115.57 1x52 s THR 89 Ca 0.41 0.37 0.07 0.00 0.31 0.00 0.00 61.69 62.85 1x52 s THR 89 Cb -0.10 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1x52 s THR 89 CO 0.36 -0.68 -0.16 -0.69 -0.69 0.00 0.00 174.62 172.77 1x52 s VAL 90 N -3.17 1.47 -0.03 3.82 1.01 -1.26 -3.15 120.40 119.09 1x52 s VAL 90 Ca 0.55 -1.69 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 1x52 s VAL 90 Cb -0.11 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1x52 s VAL 90 CO 0.49 -0.32 0.06 -0.13 0.00 0.00 0.00 175.10 175.20 1x52 s ARG 91 N -2.48 0.01 -0.29 2.72 1.81 -0.81 -4.91 118.95 114.99 1x52 s ARG 91 Ca 0.09 0.21 0.02 0.00 -1.72 0.00 0.00 55.73 54.32 1x52 s ARG 91 Cb -0.06 -0.18 0.07 0.00 -0.45 0.00 0.00 34.95 34.32 1x52 s ARG 91 CO 0.04 -0.14 -0.04 0.42 -0.68 0.00 0.00 175.30 174.90 1x52 s ILE 92 N 0.90 2.44 0.34 1.52 -1.09 -1.26 -2.74 121.20 121.32 1x52 s ILE 92 Ca -0.07 -1.74 -0.07 0.00 -2.23 0.00 0.00 60.65 56.53 1x52 s ILE 92 Cb -0.10 -2.51 -0.06 0.00 -1.58 0.00 0.00 42.46 38.21 1x52 s ILE 92 CO -0.03 -0.20 0.64 -0.36 -1.23 0.00 0.00 174.94 173.77 1x52 s PHE 93 N 1.10 3.48 -0.00 3.97 0.40 -0.30 -4.87 117.98 121.75 1x52 s PHE 93 Ca -0.03 0.79 -0.01 0.00 -0.60 0.00 0.00 56.93 57.08 1x52 s PHE 93 Cb -0.20 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.06 1x52 s PHE 93 CO -0.05 0.05 0.11 -1.12 0.70 0.00 0.00 175.22 174.92 1x52 s SER 94 N -3.22 5.88 0.38 1.36 0.01 -1.26 -0.72 113.70 116.14 1x52 s SER 94 Ca 0.47 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.98 1x52 s SER 94 Cb -0.10 -1.74 0.74 0.00 0.21 0.00 0.00 66.02 65.13 1x52 s SER 94 CO 0.31 0.27 2.02 -1.28 0.41 0.00 0.00 173.24 174.96 1x52 h SER 95 N 3.98 0.57 0.16 2.44 0.87 -1.97 -1.95 113.55 117.65 1x52 h SER 95 Ca -0.49 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.03 1x52 h SER 95 Cb 1.18 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x52 h SER 95 CO 0.64 0.44 -0.06 -0.07 -0.53 0.00 0.00 176.83 177.26 1x52 h LEU 96 N 0.66 0.00 -9.96 2.23 3.38 -1.98 -3.39 115.31 106.25 1x52 h LEU 96 Ca 0.17 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.66 1x52 h LEU 96 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1x52 h LEU 96 CO -0.03 0.06 0.20 -2.28 0.09 0.00 0.00 178.44 176.47 1x52 s HIS 97 N -4.43 3.48 0.35 1.13 2.46 -0.73 -4.96 115.29 112.58 1x52 s HIS 97 Ca -0.04 1.45 0.09 0.00 0.47 0.00 0.00 55.06 57.03 1x52 s HIS 97 Cb 0.14 -2.70 0.82 0.00 -0.13 0.00 0.00 32.58 30.71 1x52 s HIS 97 CO 0.56 0.13 1.84 -0.24 -2.47 0.00 0.00 174.74 174.56 1x52 h VAL 98 N 2.26 0.79 0.00 0.89 3.04 -1.86 0.45 116.25 121.82 1x52 h VAL 98 Ca -0.48 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1x52 h VAL 98 Cb 1.18 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1x52 h VAL 98 CO 0.64 0.13 -0.02 0.28 -1.01 0.00 0.00 177.57 177.59 1x52 h SER 99 N 0.69 0.00 -0.08 3.17 0.02 -1.93 -0.32 113.55 115.10 1x52 h SER 99 Ca 0.49 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.31 1x52 h SER 99 Cb 0.81 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.36 1x52 h SER 99 CO -0.24 0.02 -0.43 1.23 -1.14 0.00 0.00 176.83 176.27 1x52 h GLY 100 N 2.19 0.48 1.48 -3.77 0.00 -1.01 0.36 103.07 102.81 1x52 h GLY 100 Ca -0.00 -0.69 0.01 0.00 0.00 0.00 0.00 47.33 46.65 1x52 h GLY 100 CO 0.00 0.61 0.34 0.83 0.00 0.00 0.00 176.54 178.32 1x52 h GLU 101 N -0.01 0.66 0.40 4.80 5.08 -1.14 -1.27 114.58 123.10 1x52 h GLU 101 Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1x52 h GLU 101 Cb 1.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1x52 h GLU 101 CO 0.09 0.43 -0.19 1.96 -1.00 0.00 0.00 179.01 180.30 1x52 h GLN 102 N 0.68 -0.52 -0.22 2.33 1.08 -1.06 -3.31 115.11 114.09 1x52 h GLN 102 Ca 0.19 0.04 0.04 0.00 -1.45 0.00 0.00 58.65 57.46 1x52 h GLN 102 Cb -0.05 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1x52 h GLN 102 CO -0.04 -0.21 0.15 1.25 -0.95 0.00 0.00 178.83 179.03 1x52 h LEU 103 N -0.84 0.11 -1.65 1.46 5.85 -0.25 -1.68 115.31 118.31 1x52 h LEU 103 Ca -0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1x52 h LEU 103 Cb 0.54 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1x52 h LEU 103 CO 0.09 0.07 0.22 -1.28 -0.34 0.00 0.00 178.44 177.20 1x52 h SER 104 N 0.12 0.40 -0.02 1.25 0.87 -1.34 0.26 113.55 115.09 1x52 h SER 104 Ca 0.10 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1x52 h SER 104 Cb 0.24 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1x52 h SER 104 CO -0.01 0.30 0.07 1.56 -0.53 0.00 0.00 176.83 178.21 1x52 h GLN 105 N 0.47 0.00 -0.38 2.24 4.20 -1.43 -0.24 115.11 119.97 1x52 h GLN 105 Ca 0.13 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 1x52 h GLN 105 Cb -0.04 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.62 1x52 h GLN 105 CO -0.03 0.00 -0.05 1.28 -0.67 0.00 0.00 178.83 179.36 1x52 n LEU 106 N -3.28 4.26 0.00 1.46 4.77 0.53 -4.94 117.00 119.80 1x52 n LEU 106 Ca -0.02 -3.78 0.00 0.00 -0.03 0.00 0.00 56.01 52.18 1x52 n LEU 106 Cb 0.14 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1x52 n LEU 106 CO 0.21 1.26 0.00 0.35 -1.33 0.00 0.00 177.39 177.88 1x52 n THR 107 N -1.12 0.00 -0.63 -5.08 -2.24 -0.10 -2.86 114.28 102.24 1x52 n THR 107 Ca 0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1x52 n THR 107 Cb 1.07 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.88 0.65 2.81 3.38 0.00 0.61 -4.83 105.19 105.92 1x52 n GLY 108 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.04 0.30 1.61 0.11 -1.14 -0.88 120.40 118.36 1x52 s VAL 109 Ca 0.00 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 1x52 s VAL 109 Cb 0.00 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.80 1x52 s VAL 109 CO 0.00 0.06 0.60 0.00 -3.33 0.00 0.00 175.10 172.44 1x52 s ALA 110 N 0.75 -0.48 -0.09 1.54 0.00 -0.10 -0.83 121.76 122.55 1x52 s ALA 110 Ca -0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 51.96 50.90 1x52 s ALA 110 Cb -0.09 0.95 0.05 0.00 0.00 0.00 0.00 23.12 24.03 1x52 s ALA 110 CO -0.02 -0.92 0.53 0.00 0.00 0.00 0.00 175.76 175.34 1x52 s ALA 111 N -3.54 -1.35 0.19 0.00 0.00 -0.20 -0.49 121.76 116.36 1x52 s ALA 111 Ca 0.19 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.00 1x52 s ALA 111 Cb -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 1x52 s ALA 111 CO 0.10 -0.30 0.78 0.42 0.00 0.00 0.00 175.76 176.76 1x52 s ILE 112 N -0.77 4.39 -0.00 0.00 1.01 0.23 -2.10 121.20 123.96 1x52 s ILE 112 Ca -0.08 1.64 0.07 0.00 0.00 0.00 0.00 60.65 62.28 1x52 s ILE 112 Cb -0.03 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1x52 s ILE 112 CO 0.05 0.44 -0.21 -0.76 0.00 0.00 0.00 174.94 174.46 1x52 s LEU 113 N -1.37 2.40 0.17 2.97 1.43 -0.33 -1.57 118.68 122.37 1x52 s LEU 113 Ca 0.38 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.98 1x52 s LEU 113 Cb -0.22 -1.44 0.03 0.00 0.03 0.00 0.00 46.19 44.60 1x52 s LEU 113 CO 0.25 0.30 1.60 0.03 0.23 0.00 0.00 176.35 178.76 1x52 h ARG 114 N 5.10 1.01 -4.61 1.70 3.08 -1.20 -3.46 114.38 115.99 1x52 h ARG 114 Ca -0.46 -0.36 -0.24 0.00 0.07 0.00 0.00 59.98 59.00 1x52 h ARG 114 Cb 1.14 -0.07 -0.17 0.00 0.08 0.00 0.00 29.97 30.95 1x52 h ARG 114 CO 0.48 1.04 -0.71 -0.59 -1.07 0.00 0.00 179.97 179.12 1x52 s PHE 115 N -4.90 0.81 -0.25 3.04 -0.12 -1.26 -5.10 117.98 110.20 1x52 s PHE 115 Ca -0.12 -0.79 -0.29 0.00 -0.05 0.00 0.00 56.93 55.68 1x52 s PHE 115 Cb 0.13 -0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.02 1x52 s PHE 115 CO 0.86 -0.14 1.57 -1.25 -0.05 0.00 0.00 175.22 176.21 1x52 s PRO 116 N -3.12 3.78 0.22 1.99 0.04 -1.26 -4.78 135.00 131.87 1x52 s PRO 116 Ca 0.05 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 1x52 s PRO 116 Cb 0.00 -4.02 -0.10 0.00 0.04 0.00 0.00 34.50 30.43 1x52 s PRO 116 CO -0.03 -1.31 1.44 0.08 0.04 0.00 0.00 177.00 177.22 1x52 s VAL 117 N 5.17 2.79 -0.59 -0.36 1.01 -1.26 -4.94 120.40 122.22 1x52 s VAL 117 Ca 0.69 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.05 1x52 s VAL 117 Cb -0.23 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1x52 s VAL 117 CO 0.29 0.09 2.13 -2.16 0.00 0.00 0.00 175.10 175.45 1x52 s PRO 118 N 0.03 2.33 0.37 2.72 0.04 -1.26 -4.84 135.00 134.39 1x52 s PRO 118 Ca 0.61 0.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1x52 s PRO 118 Cb -0.41 -4.54 0.06 0.00 0.04 0.00 0.00 34.50 29.66 1x52 s PRO 118 CO 0.39 -3.11 0.84 0.43 0.04 0.00 0.00 177.00 175.59 1x52 n SER 119 N 14.53 -2.24 -3.92 6.66 7.64 -1.26 -5.13 113.62 129.90 1x52 n SER 119 Ca 0.30 -2.50 -0.10 0.00 1.01 0.00 0.00 58.87 57.58 1x52 n SER 119 Cb 0.53 3.72 -0.06 0.00 -1.01 0.00 0.00 64.21 67.38 1x52 n SER 119 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x52 s GLY 120 N -3.15 0.38 0.30 0.23 0.00 -1.26 -5.04 107.32 98.77 1x52 s GLY 120 Ca 0.17 -0.75 0.26 0.00 0.00 0.00 0.00 44.72 44.40 1x52 s GLY 120 CO 0.11 -0.68 1.76 -0.56 0.00 0.00 0.00 173.10 173.73 1x52 h PRO 121 N 2.42 0.00 0.00 2.90 0.13 -2.02 -2.98 132.00 132.44 1x52 h PRO 121 Ca -0.30 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1x52 h PRO 121 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1x52 h PRO 121 CO 0.44 0.00 -1.62 0.45 -0.23 0.00 0.00 178.00 177.04 1x52 n SER 122 N -2.43 2.09 -3.05 1.44 2.88 -1.26 -4.78 113.62 108.51 1x52 n SER 122 Ca 0.03 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.20 1x52 n SER 122 Cb 0.32 1.45 -0.00 0.00 -0.75 0.00 0.00 64.21 65.23 1x52 n SER 122 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x52 n SER 123 N -2.03 7.29 0.00 -3.46 3.41 -1.13 -5.28 113.62 112.43 1x52 n SER 123 Ca -0.05 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.05 1x52 n SER 123 Cb 0.42 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49