#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 -0.05 0.00 1.61 1.04 -1.26 -5.19 113.70 109.86 1x52 s SER 2 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1x52 s SER 2 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1x52 s SER 2 CO 0.00 -0.41 0.00 -0.24 0.98 0.00 0.00 173.24 173.57 1x52 n SER 3 N -0.69 0.00 0.00 7.02 2.88 -1.26 -5.16 113.62 116.42 1x52 n SER 3 Ca -0.05 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.79 1x52 n SER 3 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1x52 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x52 n GLY 4 N 0.00 0.51 2.98 0.46 0.00 -1.26 -5.15 105.19 102.72 1x52 n GLY 4 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 1x52 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x52 s SER 5 N 0.00 -0.18 -0.27 1.61 0.15 -1.26 -5.12 113.70 108.63 1x52 s SER 5 Ca 0.00 -0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.54 1x52 s SER 5 Cb 0.00 1.38 0.15 0.00 -1.71 0.00 0.00 66.02 65.84 1x52 s SER 5 CO 0.00 -0.33 0.51 -0.55 1.20 0.00 0.00 173.24 174.08 1x52 s SER 6 N 2.63 -0.70 -0.05 5.45 0.15 -1.26 -5.17 113.70 114.75 1x52 s SER 6 Ca 0.11 0.80 -0.29 0.00 0.70 0.00 0.00 55.95 57.27 1x52 s SER 6 Cb -0.13 1.75 0.11 0.00 -1.71 0.00 0.00 66.02 66.04 1x52 s SER 6 CO -0.26 -0.26 0.89 -0.83 1.20 0.00 0.00 173.24 173.97 1x52 s GLY 7 N 2.74 -0.42 -0.12 9.45 0.00 -1.26 -5.16 107.32 112.54 1x52 s GLY 7 Ca 0.11 1.37 -0.06 0.00 0.00 0.00 0.00 44.72 46.14 1x52 s GLY 7 CO -0.18 0.63 0.28 -1.59 0.00 0.00 0.00 173.10 172.25 1x52 s THR 8 N -2.25 -0.14 -0.34 0.90 2.01 -1.26 -5.12 115.64 109.45 1x52 s THR 8 Ca 0.01 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1x52 s THR 8 Cb -0.01 -0.44 0.15 0.00 0.01 0.00 0.00 72.50 72.21 1x52 s THR 8 CO -0.03 0.07 0.36 0.54 -0.69 0.00 0.00 174.62 174.87 1x52 s VAL 9 N 1.57 -0.41 -0.07 3.82 0.11 -1.26 -5.12 120.40 119.04 1x52 s VAL 9 Ca -0.07 -0.73 -0.06 0.00 -2.93 0.00 0.00 61.98 58.19 1x52 s VAL 9 Cb -0.10 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 1x52 s VAL 9 CO -0.09 -0.50 0.18 0.00 -3.33 0.00 0.00 175.10 171.36 1x52 s ALA 10 N 1.86 -0.45 0.25 1.54 0.00 -1.26 -5.16 121.76 118.55 1x52 s ALA 10 Ca 0.14 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 1x52 s ALA 10 Cb -0.14 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.75 1x52 s ALA 10 CO -0.16 -0.09 0.72 0.43 0.00 0.00 0.00 175.76 176.66 1x52 n SER 11 N 2.92 -1.69 -1.47 0.00 7.64 -1.26 -5.18 113.62 114.58 1x52 n SER 11 Ca -0.13 -2.07 0.20 0.00 1.01 0.00 0.00 58.87 57.88 1x52 n SER 11 Cb 0.59 2.79 -0.05 0.00 -1.01 0.00 0.00 64.21 66.53 1x52 n SER 11 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x52 n ARG 12 N -0.50 -2.96 -4.15 1.43 1.74 -1.26 -5.01 116.66 105.95 1x52 n ARG 12 Ca -0.05 1.96 -0.10 0.00 -0.77 0.00 0.00 57.85 58.89 1x52 n ARG 12 Cb 0.48 -3.61 -0.10 0.00 -1.02 0.00 0.00 32.46 28.21 1x52 n ARG 12 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1x52 s LEU 13 N -7.24 1.72 0.19 0.55 2.96 -1.26 -5.18 118.68 110.43 1x52 s LEU 13 Ca 0.00 -1.21 -0.08 0.00 -0.22 0.00 0.00 54.13 52.62 1x52 s LEU 13 Cb 0.00 0.33 -0.01 0.00 0.50 0.00 0.00 46.19 47.00 1x52 s LEU 13 CO 0.00 -0.74 0.30 -0.44 -1.32 0.00 0.00 176.35 174.15 1x52 s SER 14 N -3.05 0.03 0.85 3.68 0.01 -1.26 -5.01 113.70 108.94 1x52 s SER 14 Ca 0.25 -1.00 -0.10 0.00 1.31 0.00 0.00 55.95 56.40 1x52 s SER 14 Cb 0.07 0.46 0.10 0.00 0.21 0.00 0.00 66.02 66.87 1x52 s SER 14 CO 0.02 -0.95 1.11 -1.81 0.41 0.00 0.00 173.24 172.02 1x52 s ASP 15 N -3.02 3.74 0.22 2.44 1.11 -1.26 -4.50 116.67 115.40 1x52 s ASP 15 Ca 0.23 1.93 -0.08 0.00 0.18 0.00 0.00 52.55 54.81 1x52 s ASP 15 Cb 0.03 -2.51 0.33 0.00 1.07 0.00 0.00 42.92 41.84 1x52 s ASP 15 CO 0.05 -2.54 1.75 0.00 1.18 0.00 0.00 175.17 175.62 1x52 h THR 16 N -1.48 0.78 0.14 -1.27 1.03 -2.02 0.24 112.91 110.34 1x52 h THR 16 Ca -0.44 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 65.78 1x52 h THR 16 Cb 1.25 0.25 0.00 0.00 -1.07 0.00 0.00 68.15 68.58 1x52 h THR 16 CO 0.48 0.09 -0.07 0.50 -0.01 0.00 0.00 175.52 176.51 1x52 h LYS 17 N 0.49 -0.18 -0.85 0.00 1.63 -2.01 -3.29 116.57 112.34 1x52 h LYS 17 Ca 0.34 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.15 1x52 h LYS 17 Cb 0.42 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 1x52 h LYS 17 CO -0.31 0.26 0.50 0.00 -3.45 0.00 0.00 179.45 176.45 1x52 h ALA 18 N -0.05 1.08 0.00 5.00 0.00 -1.58 0.51 119.26 124.22 1x52 h ALA 18 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1x52 h ALA 18 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1x52 h ALA 18 CO 0.03 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1x52 h ALA 19 N 1.27 1.00 0.03 0.00 0.00 -0.71 0.06 119.26 120.90 1x52 h ALA 19 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x52 h ALA 19 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1x52 h ALA 19 CO -0.05 0.00 -0.01 0.78 0.00 0.00 0.00 179.25 179.96 1x52 h GLY 20 N 1.34 -0.04 0.97 0.00 0.00 -0.96 -1.88 103.07 102.50 1x52 h GLY 20 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1x52 h GLY 20 CO 0.00 -0.02 -0.03 0.83 0.00 0.00 0.00 176.54 177.32 1x52 h GLU 21 N -0.35 -0.09 -0.36 4.80 3.07 -1.30 -2.74 114.58 117.62 1x52 h GLU 21 Ca -0.00 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 1x52 h GLU 21 Cb 0.33 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.19 1x52 h GLU 21 CO 0.01 -0.03 -0.09 0.28 -1.40 0.00 0.00 179.01 177.77 1x52 h VAL 22 N -0.13 0.63 -0.37 3.13 2.07 -1.07 0.49 116.25 121.00 1x52 h VAL 22 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1x52 h VAL 22 Cb 0.10 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1x52 h VAL 22 CO 0.02 0.00 -0.03 0.50 0.02 0.00 0.00 177.57 178.07 1x52 h LYS 23 N -0.01 0.06 -0.68 1.57 3.11 -1.31 0.76 116.57 120.07 1x52 h LYS 23 Ca 0.17 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.98 1x52 h LYS 23 Cb 0.27 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.45 1x52 h LYS 23 CO -0.37 0.04 0.33 0.00 -2.81 0.00 0.00 179.45 176.64 1x52 h ALA 24 N 1.34 0.88 -0.49 5.00 0.00 -1.01 -0.93 119.26 124.06 1x52 h ALA 24 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x52 h ALA 24 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1x52 h ALA 24 CO -0.33 0.44 0.31 1.25 0.00 0.00 0.00 179.25 180.93 1x52 h LEU 25 N 0.95 0.53 -0.74 0.00 5.85 -0.19 -1.31 115.31 120.41 1x52 h LEU 25 Ca 0.23 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1x52 h LEU 25 Cb 0.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1x52 h LEU 25 CO -0.03 0.38 0.38 -0.78 -0.34 0.00 0.00 178.44 178.06 1x52 h ASP 26 N 0.64 0.95 -0.05 1.25 3.58 -0.53 0.52 116.42 122.77 1x52 h ASP 26 Ca 0.18 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1x52 h ASP 26 Cb -0.05 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 40.76 1x52 h ASP 26 CO -0.05 0.79 -0.35 -0.78 -2.88 0.00 0.00 179.24 175.97 1x52 h ASP 27 N 1.03 0.39 0.16 2.28 3.58 -1.10 -2.11 116.42 120.66 1x52 h ASP 27 Ca 0.26 -0.69 0.01 0.00 0.42 0.00 0.00 57.03 57.04 1x52 h ASP 27 Cb 0.08 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 1x52 h ASP 27 CO -0.04 1.02 -0.46 0.15 -2.88 0.00 0.00 179.24 177.03 1x52 h PHE 28 N -0.21 -1.29 -0.62 0.28 3.57 -1.04 -2.12 116.94 115.51 1x52 h PHE 28 Ca -0.03 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1x52 h PHE 28 Cb 1.03 0.54 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 1x52 h PHE 28 CO 0.14 -0.56 0.19 1.88 -2.23 0.00 0.00 178.31 177.73 1x52 h TYR 29 N -0.72 0.95 -0.19 0.41 0.05 -0.95 0.12 116.97 116.64 1x52 h TYR 29 Ca 0.01 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.76 1x52 h TYR 29 Cb 0.72 -0.28 -0.07 0.00 1.01 0.00 0.00 36.73 38.11 1x52 h TYR 29 CO -0.38 0.77 -0.37 -0.22 -1.05 0.00 0.00 178.16 176.91 1x52 h LYS 30 N 0.90 -0.40 -0.01 4.88 3.64 -1.15 0.16 116.57 124.60 1x52 h LYS 30 Ca 0.20 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1x52 h LYS 30 Cb 0.26 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1x52 h LYS 30 CO -0.01 -0.26 -0.43 1.98 -2.27 0.00 0.00 179.45 178.46 1x52 h MET 31 N -0.41 0.02 -0.55 1.90 4.05 -0.69 -2.52 114.93 116.73 1x52 h MET 31 Ca 0.10 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1x52 h MET 31 Cb 0.58 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.35 1x52 h MET 31 CO -0.42 0.45 0.35 1.25 0.23 0.00 0.00 176.91 178.77 1x52 h LEU 32 N 0.02 0.58 -1.91 3.39 5.85 0.12 0.20 115.31 123.57 1x52 h LEU 32 Ca -0.00 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1x52 h LEU 32 Cb 0.77 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1x52 h LEU 32 CO 0.06 0.41 -0.11 1.56 -0.34 0.00 0.00 178.44 180.02 1x52 h GLN 33 N 0.70 0.00 0.00 1.25 1.08 -0.29 -3.31 115.11 114.54 1x52 h GLN 33 Ca 0.21 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1x52 h GLN 33 Cb -0.02 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1x52 h GLN 33 CO -0.07 0.11 -1.15 0.72 -0.95 0.00 0.00 178.83 177.48 1x52 n HIS 34 N -3.56 0.00 -3.03 2.96 8.25 -0.94 -4.94 115.22 113.96 1x52 n HIS 34 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 1x52 n HIS 34 Cb 0.24 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1x52 n HIS 34 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1x52 s GLU 35 N -2.05 0.94 0.00 -0.41 -1.05 0.68 -5.04 118.70 111.76 1x52 s GLU 35 Ca -0.04 -0.99 0.06 0.00 -0.15 0.00 0.00 54.97 53.85 1x52 s GLU 35 Cb 0.01 -0.29 0.27 0.00 -0.44 0.00 0.00 34.13 33.69 1x52 s GLU 35 CO 0.06 -1.29 1.10 -0.35 0.95 0.00 0.00 175.26 175.73 1x52 n PRO 36 N 3.45 0.05 0.32 -4.83 -0.04 -1.16 -1.53 135.00 131.25 1x52 n PRO 36 Ca 0.17 0.30 0.20 0.00 -0.04 0.00 0.00 63.50 64.13 1x52 n PRO 36 Cb 0.54 -1.50 1.07 0.00 -0.04 0.00 0.00 33.50 33.57 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 -0.58 3.54 5.19 -1.93 -0.44 116.42 122.20 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 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 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 -3.25 2.70 -3.58 3.56 1.74 -0.58 -3.91 116.66 113.34 1x52 n ARG 38 Ca -0.02 -2.43 -0.29 0.00 -0.77 0.00 0.00 57.85 54.34 1x52 n ARG 38 Cb 0.15 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.99 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 -1.05 1.29 0.10 7.54 0.00 -0.18 -0.92 121.76 128.54 1x52 s ALA 39 Ca 0.40 -1.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 1x52 s ALA 39 Cb 0.21 -1.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 1x52 s ALA 39 CO 0.28 -1.97 0.44 -0.06 0.00 0.00 0.00 175.76 174.44 1x52 s PHE 40 N 1.10 3.57 0.11 0.00 0.40 -1.03 -4.84 117.98 117.29 1x52 s PHE 40 Ca 0.16 0.84 -0.02 0.00 -0.60 0.00 0.00 56.93 57.30 1x52 s PHE 40 Cb -0.22 -2.20 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1x52 s PHE 40 CO -0.08 0.48 0.05 1.52 0.70 0.00 0.00 175.22 177.89 1x52 s TYR 41 N -1.45 0.70 0.08 0.36 1.13 -1.26 -1.76 117.35 115.15 1x52 s TYR 41 Ca 0.35 -1.13 0.00 0.00 -1.41 0.00 0.00 57.07 54.88 1x52 s TYR 41 Cb -0.14 -0.41 0.00 0.00 -1.10 0.00 0.00 41.96 40.31 1x52 s TYR 41 CO 0.19 -0.49 0.00 0.41 -2.51 0.00 0.00 175.55 173.14 1x52 n GLY 42 N -0.04 -3.25 0.32 5.49 0.00 -0.60 -4.22 105.19 102.88 1x52 n GLY 42 Ca -0.08 -1.09 0.01 0.00 0.00 0.00 0.00 46.02 44.86 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 0.26 -0.90 -0.48 0.99 5.85 -1.93 -0.31 115.31 118.78 1x52 h LEU 43 Ca 0.00 0.25 0.10 0.00 0.84 0.00 0.00 57.88 59.07 1x52 h LEU 43 Cb 0.00 0.55 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1x52 h LEU 43 CO 0.00 -0.28 -0.26 0.50 -0.34 0.00 0.00 178.44 178.06 1x52 h LYS 44 N -0.02 -0.15 0.18 1.25 1.63 -1.99 0.85 116.57 118.32 1x52 h LYS 44 Ca 0.37 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.17 1x52 h LYS 44 Cb 0.60 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1x52 h LYS 44 CO -0.85 -0.10 -0.09 1.96 -3.45 0.00 0.00 179.45 176.92 1x52 h GLN 45 N -0.16 -0.24 -0.76 1.90 4.20 -1.23 -2.96 115.11 115.85 1x52 h GLN 45 Ca 0.22 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.10 1x52 h GLN 45 Cb 0.50 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.23 1x52 h GLN 45 CO -0.57 0.13 0.28 0.28 -0.67 0.00 0.00 178.83 178.28 1x52 h VAL 46 N -0.67 0.60 -0.95 -0.54 2.07 -1.28 0.13 116.25 115.60 1x52 h VAL 46 Ca -0.03 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1x52 h VAL 46 Cb 0.48 0.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1x52 h VAL 46 CO 0.04 0.07 0.60 -0.33 0.02 0.00 0.00 177.57 177.98 1x52 h GLU 47 N 0.39 0.74 0.11 1.57 5.08 -0.77 0.10 114.58 121.82 1x52 h GLU 47 Ca 0.43 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.54 1x52 h GLU 47 Cb 0.70 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.80 1x52 h GLU 47 CO -0.44 0.49 -0.89 -0.22 -1.00 0.00 0.00 179.01 176.95 1x52 h LYS 48 N 0.77 0.40 -0.04 2.33 1.63 -0.64 -2.90 116.57 118.11 1x52 h LYS 48 Ca 0.50 -0.59 -0.06 0.00 -0.85 0.00 0.00 60.65 59.65 1x52 h LYS 48 Cb 0.75 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1x52 h LYS 48 CO -0.26 1.25 -0.27 0.00 -3.45 0.00 0.00 179.45 176.72 1x52 h ALA 49 N 0.18 1.48 -0.37 5.00 0.00 -0.86 -2.91 119.26 121.77 1x52 h ALA 49 Ca -0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1x52 h ALA 49 Cb 1.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1x52 h ALA 49 CO 0.17 0.38 -0.20 -0.97 0.00 0.00 0.00 179.25 178.63 1x52 h ASN 50 N 0.07 0.70 -0.89 0.00 -1.24 -0.95 -0.83 115.58 112.44 1x52 h ASN 50 Ca 0.01 -0.24 0.19 0.00 0.71 0.00 0.00 56.30 56.97 1x52 h ASN 50 Cb 0.51 -0.19 -0.07 0.00 0.73 0.00 0.00 38.32 39.31 1x52 h ASN 50 CO 0.04 0.90 0.58 -0.33 -1.29 0.00 0.00 177.43 177.33 1x52 h GLU 51 N 0.62 0.44 -0.00 6.67 5.08 -1.32 -2.24 114.58 123.83 1x52 h GLU 51 Ca 0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1x52 h GLU 51 Cb 0.68 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1x52 h GLU 51 CO 0.05 0.29 -0.15 0.00 -1.00 0.00 0.00 179.01 178.21 1x52 n ALA 52 N -2.50 2.74 -3.66 3.43 0.00 -0.34 -4.94 120.51 115.24 1x52 n ALA 52 Ca 0.19 -0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 1x52 n ALA 52 Cb 0.64 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.37 -6.16 0.00 0.00 2.81 -0.84 -4.90 117.12 106.66 1x52 n MET 53 Ca 0.09 0.71 0.05 0.00 -1.81 0.00 0.00 57.70 56.73 1x52 n MET 53 Cb 0.32 -5.64 -0.03 0.00 -0.71 0.00 0.00 33.22 27.16 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 -4.59 3.03 -2.50 3.04 0.00 -1.17 -4.96 120.51 113.37 1x52 n ALA 54 Ca 0.01 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1x52 n ALA 54 Cb 0.55 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.62 3.89 -0.08 0.00 1.01 -1.26 -0.34 121.20 122.80 1x52 s ILE 55 Ca 0.06 0.77 -0.18 0.00 0.00 0.00 0.00 60.65 61.30 1x52 s ILE 55 Cb 0.08 -4.62 -0.14 0.00 0.01 0.00 0.00 42.46 37.78 1x52 s ILE 55 CO 0.32 -1.31 0.64 -0.78 0.00 0.00 0.00 174.94 173.81 1x52 h ASP 56 N 10.22 -0.11 -3.36 3.58 3.58 -1.61 -3.36 116.42 125.36 1x52 h ASP 56 Ca -0.26 -0.41 -0.41 0.00 0.42 0.00 0.00 57.03 56.38 1x52 h ASP 56 Cb 1.07 0.03 -0.36 0.00 1.72 0.00 0.00 39.33 41.79 1x52 h ASP 56 CO 1.19 0.53 -0.76 -0.89 -2.88 0.00 0.00 179.24 176.43 1x52 s THR 57 N -2.72 0.36 -0.14 2.25 2.01 -1.18 -0.17 115.64 116.05 1x52 s THR 57 Ca -0.11 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1x52 s THR 57 Cb -0.00 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1x52 s THR 57 CO 0.41 0.22 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.30 1x52 s LEU 58 N 1.49 3.27 -0.20 4.42 2.96 -0.28 -0.39 118.68 129.95 1x52 s LEU 58 Ca -0.02 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 1x52 s LEU 58 Cb -0.13 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1x52 s LEU 58 CO -0.03 0.22 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.33 1x52 s LEU 59 N 0.07 2.52 0.00 -0.68 1.43 0.26 -0.35 118.68 121.93 1x52 s LEU 59 Ca -0.00 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1x52 s LEU 59 Cb -0.13 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1x52 s LEU 59 CO 0.03 -0.02 -0.06 -0.51 0.23 0.00 0.00 176.35 176.01 1x52 s ILE 60 N 1.36 0.49 0.30 -0.59 2.07 -0.94 -1.01 121.20 122.88 1x52 s ILE 60 Ca 0.05 -0.36 -0.29 0.00 -1.41 0.00 0.00 60.65 58.63 1x52 s ILE 60 Cb -0.14 -0.43 -0.11 0.00 0.13 0.00 0.00 42.46 41.92 1x52 s ILE 60 CO -0.09 0.07 1.45 -0.55 -1.91 0.00 0.00 174.94 173.91 1x52 s SER 61 N -0.32 6.56 0.32 4.50 0.15 -0.18 -1.09 113.70 123.64 1x52 s SER 61 Ca 0.01 2.80 0.00 0.00 0.70 0.00 0.00 55.95 59.47 1x52 s SER 61 Cb -0.03 -2.64 0.53 0.00 -1.71 0.00 0.00 66.02 62.17 1x52 s SER 61 CO -0.00 -0.74 1.97 -2.24 1.20 0.00 0.00 173.24 173.42 1x52 h ASP 62 N 4.22 0.86 -0.47 5.45 2.03 -0.81 -1.36 116.42 126.34 1x52 h ASP 62 Ca -0.48 -0.01 0.12 0.00 -0.73 0.00 0.00 57.03 55.93 1x52 h ASP 62 Cb 1.22 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.50 1x52 h ASP 62 CO 0.73 0.60 0.33 -0.08 -1.03 0.00 0.00 179.24 179.79 1x52 h GLU 63 N 1.01 0.09 0.18 4.15 4.57 -1.91 0.32 114.58 122.99 1x52 h GLU 63 Ca 0.31 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.19 1x52 h GLU 63 Cb -0.01 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1x52 h GLU 63 CO -0.08 0.06 -1.37 -0.07 -1.18 0.00 0.00 179.01 176.37 1x52 h LEU 64 N 0.10 0.58 -2.22 1.64 3.38 -1.63 -1.05 115.31 116.10 1x52 h LEU 64 Ca 0.22 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1x52 h LEU 64 Cb 0.75 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1x52 h LEU 64 CO -0.02 1.63 0.15 0.15 0.09 0.00 0.00 178.44 180.44 1x52 h PHE 65 N -0.11 0.00 0.00 1.13 3.57 -0.48 -1.95 116.94 119.10 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 1.92 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.64 1x52 h PHE 65 CO 0.14 0.00 -0.27 0.54 -2.23 0.00 0.00 178.31 176.49 1x52 n ARG 66 N -2.81 1.19 -1.71 1.11 1.74 0.10 -4.83 116.66 111.45 1x52 n ARG 66 Ca -0.02 -2.64 -0.42 0.00 -0.77 0.00 0.00 57.85 53.99 1x52 n ARG 66 Cb 0.21 -1.36 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1x52 n ARG 66 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1x52 n HIS 67 N -1.09 2.36 -0.12 -1.55 -0.00 -0.40 -4.88 115.22 109.54 1x52 n HIS 67 Ca 0.15 0.53 0.03 0.00 0.46 0.00 0.00 57.72 58.89 1x52 n HIS 67 Cb 0.69 -2.43 0.34 0.00 -0.12 0.00 0.00 29.99 28.47 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 2.54 0.76 -6.25 1.57 3.07 -1.92 -3.40 115.11 111.48 1x52 h GLN 68 Ca -0.47 -0.05 -0.56 0.00 0.09 0.00 0.00 58.65 57.67 1x52 h GLN 68 Cb 1.28 -0.17 -0.04 0.00 0.08 0.00 0.00 27.48 28.63 1x52 h GLN 68 CO 0.62 0.50 0.59 0.34 0.09 0.00 0.00 178.83 180.98 1x52 s ASP 69 N -6.48 7.23 0.30 0.06 2.15 -1.26 -4.96 116.67 113.71 1x52 s ASP 69 Ca -0.10 1.54 -0.02 0.00 0.43 0.00 0.00 52.55 54.41 1x52 s ASP 69 Cb 0.18 -2.56 0.45 0.00 -0.30 0.00 0.00 42.92 40.70 1x52 s ASP 69 CO 0.76 -0.47 1.96 0.58 -0.17 0.00 0.00 175.17 177.83 1x52 h VAL 70 N 5.11 1.19 0.13 1.11 2.07 -1.98 0.72 116.25 124.60 1x52 h VAL 70 Ca -0.31 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1x52 h VAL 70 Cb 1.14 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1x52 h VAL 70 CO 0.86 0.20 -0.06 0.00 0.02 0.00 0.00 177.57 178.59 1x52 h ALA 71 N 1.49 -0.17 0.05 1.67 0.00 -1.94 0.36 119.26 120.72 1x52 h ALA 71 Ca 0.31 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1x52 h ALA 71 Cb -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1x52 h ALA 71 CO -0.07 -0.40 -0.15 1.15 0.00 0.00 0.00 179.25 179.77 1x52 h THR 72 N -0.56 0.64 -0.61 0.00 2.02 -1.94 -1.54 112.91 110.92 1x52 h THR 72 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1x52 h THR 72 Cb 0.44 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 1x52 h THR 72 CO 0.03 0.00 0.16 -0.09 0.37 0.00 0.00 175.52 175.98 1x52 h ARG 73 N -0.28 0.29 -0.72 6.66 2.43 -0.82 -2.74 114.38 119.20 1x52 h ARG 73 Ca 0.03 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.29 1x52 h ARG 73 Cb 0.32 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 1x52 h ARG 73 CO -0.11 0.19 0.34 0.66 -1.51 0.00 0.00 179.97 179.53 1x52 h SER 74 N 0.30 0.41 0.38 -3.80 4.64 0.74 -0.62 113.55 115.58 1x52 h SER 74 Ca 0.32 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1x52 h SER 74 Cb 0.46 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1x52 h SER 74 CO -0.38 0.22 -0.29 0.03 -0.87 0.00 0.00 176.83 175.54 1x52 h ARG 75 N 0.55 -0.64 0.00 4.77 3.08 -1.14 0.42 114.38 121.43 1x52 h ARG 75 Ca 0.36 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.47 1x52 h ARG 75 Cb 0.44 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1x52 h ARG 75 CO -0.30 -0.43 -0.10 1.88 -1.07 0.00 0.00 179.97 179.95 1x52 h TYR 76 N -0.66 -0.24 -0.47 3.04 0.05 -1.25 -0.73 116.97 116.71 1x52 h TYR 76 Ca -0.03 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.67 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 -0.15 -0.07 -0.39 -1.05 0.00 0.00 178.16 176.36 1x52 h VAL 77 N -0.17 1.26 0.11 -2.88 -1.51 -0.97 0.11 116.25 112.20 1x52 h VAL 77 Ca 0.04 -1.14 -0.01 0.00 -1.23 0.00 0.00 66.70 64.36 1x52 h VAL 77 Cb 0.21 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 1x52 h VAL 77 CO -0.09 0.40 -0.05 0.03 -1.23 0.00 0.00 177.57 176.62 1x52 h ARG 78 N 0.76 -0.14 -0.51 5.19 3.08 -0.77 0.14 114.38 122.13 1x52 h ARG 78 Ca 0.13 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1x52 h ARG 78 Cb 0.56 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1x52 h ARG 78 CO 0.03 -0.08 0.12 1.25 -1.07 0.00 0.00 179.97 180.22 1x52 h LEU 79 N -0.15 0.78 -0.46 3.04 5.85 -0.93 0.45 115.31 123.89 1x52 h LEU 79 Ca -0.01 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.55 1x52 h LEU 79 Cb 0.12 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 1x52 h LEU 79 CO 0.02 0.82 0.01 0.58 -0.34 0.00 0.00 178.44 179.53 1x52 h VAL 80 N 0.71 0.66 -0.09 1.05 2.07 -0.62 -0.13 116.25 119.90 1x52 h VAL 80 Ca 0.16 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1x52 h VAL 80 Cb 0.34 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1x52 h VAL 80 CO 0.00 0.02 0.06 -0.78 0.02 0.00 0.00 177.57 176.89 1x52 h ASP 81 N 0.13 0.10 0.97 0.57 3.58 -0.52 -3.12 116.42 118.13 1x52 h ASP 81 Ca 0.23 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 1x52 h ASP 81 Cb 0.33 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1x52 h ASP 81 CO -0.37 0.09 -0.21 -1.28 -2.88 0.00 0.00 179.24 174.59 1x52 h SER 82 N 0.10 0.00 -0.70 2.28 0.87 -0.49 -1.40 113.55 114.22 1x52 h SER 82 Ca 0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 1x52 h SER 82 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1x52 h SER 82 CO -0.01 0.21 0.31 0.58 -0.53 0.00 0.00 176.83 177.40 1x52 h VAL 83 N 0.00 1.24 -0.56 2.23 2.07 -0.98 -2.00 116.25 118.25 1x52 h VAL 83 Ca -0.00 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1x52 h VAL 83 Cb 0.75 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1x52 h VAL 83 CO 0.03 0.29 0.05 0.11 0.02 0.00 0.00 177.57 178.06 1x52 h LYS 84 N 0.98 0.93 -0.55 1.57 1.57 -1.24 0.13 116.57 119.96 1x52 h LYS 84 Ca 0.24 -0.25 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1x52 h LYS 84 Cb 0.15 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1x52 h LYS 84 CO -0.03 0.89 0.37 0.93 -0.57 0.00 0.00 179.45 181.05 1x52 h GLU 85 N 0.87 0.29 -0.77 3.15 4.39 -1.07 -1.38 114.58 120.05 1x52 h GLU 85 Ca 0.17 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.64 1x52 h GLU 85 Cb 0.44 -0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 28.90 1x52 h GLU 85 CO 0.02 0.19 0.27 0.09 -1.16 0.00 0.00 179.01 178.41 1x52 n ASN 86 N -4.46 4.75 -1.39 1.42 3.02 -0.64 -4.93 115.26 113.03 1x52 n ASN 86 Ca 0.09 -3.16 -0.18 0.00 -0.03 0.00 0.00 54.58 51.30 1x52 n ASN 86 Cb 0.41 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 1x52 n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x52 n ALA 87 N -0.11 -0.28 -2.32 5.41 0.00 -0.52 -4.89 120.51 117.80 1x52 n ALA 87 Ca 0.39 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.78 1x52 n ALA 87 Cb 1.35 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -2.75 2.42 0.54 0.00 0.00 0.37 -4.97 107.32 102.93 1x52 s GLY 88 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 44.72 44.40 1x52 s GLY 88 CO 0.00 0.13 1.14 -1.59 0.00 0.00 0.00 173.10 172.77 1x52 s THR 89 N -1.62 3.14 0.12 0.90 2.01 0.76 -3.79 115.64 117.16 1x52 s THR 89 Ca 0.42 0.72 0.10 0.00 0.31 0.00 0.00 61.69 63.25 1x52 s THR 89 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1x52 s THR 89 CO 0.20 -0.14 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.09 1x52 s VAL 90 N -1.74 2.68 -0.01 3.82 1.01 -1.26 -1.12 120.40 123.78 1x52 s VAL 90 Ca 0.72 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1x52 s VAL 90 Cb -0.25 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1x52 s VAL 90 CO 0.28 0.09 -0.01 -0.13 0.00 0.00 0.00 175.10 175.33 1x52 s ARG 91 N -2.13 0.16 -0.30 2.72 1.81 0.53 -4.86 118.95 116.88 1x52 s ARG 91 Ca 0.17 -0.03 0.02 0.00 -1.72 0.00 0.00 55.73 54.17 1x52 s ARG 91 Cb -0.10 -0.20 0.08 0.00 -0.45 0.00 0.00 34.95 34.28 1x52 s ARG 91 CO 0.09 0.00 -0.00 0.42 -0.68 0.00 0.00 175.30 175.13 1x52 s ILE 92 N 0.16 1.92 -0.18 1.52 -1.09 -1.26 -2.22 121.20 120.05 1x52 s ILE 92 Ca -0.01 -1.84 -0.20 0.00 -2.23 0.00 0.00 60.65 56.37 1x52 s ILE 92 Cb -0.03 -2.28 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1x52 s ILE 92 CO -0.00 -0.38 0.58 -0.36 -1.23 0.00 0.00 174.94 173.55 1x52 s PHE 93 N 1.14 3.40 0.07 3.97 0.40 -0.25 -4.86 117.98 121.86 1x52 s PHE 93 Ca 0.03 0.90 -0.31 0.00 -0.60 0.00 0.00 56.93 56.95 1x52 s PHE 93 Cb -0.19 -2.73 -0.07 0.00 0.51 0.00 0.00 43.02 40.54 1x52 s PHE 93 CO -0.09 -0.10 1.38 -1.12 0.70 0.00 0.00 175.22 175.99 1x52 s SER 94 N 1.09 6.86 0.00 1.36 0.01 -1.26 -0.07 113.70 121.69 1x52 s SER 94 Ca 0.28 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.77 1x52 s SER 94 Cb -0.16 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.50 1x52 s SER 94 CO 0.11 -0.65 0.04 -1.54 0.41 0.00 0.00 173.24 171.60 1x52 n SER 95 N 4.40 0.00 0.00 2.44 3.41 -1.26 -1.76 113.62 120.85 1x52 n SER 95 Ca 0.12 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1x52 n SER 95 Cb 0.43 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1x52 n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x52 n LEU 96 N -0.50 0.00 -4.77 1.04 4.77 -1.26 -4.79 117.00 111.49 1x52 n LEU 96 Ca 0.00 -0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.63 1x52 n LEU 96 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1x52 n LEU 96 CO 0.00 0.00 0.72 -2.28 -1.33 0.00 0.00 177.39 174.50 1x52 s HIS 97 N -1.02 2.59 0.27 -1.77 2.46 -0.73 -4.84 115.29 112.25 1x52 s HIS 97 Ca 0.00 1.55 -0.02 0.00 0.47 0.00 0.00 55.06 57.06 1x52 s HIS 97 Cb 0.00 -3.11 0.42 0.00 -0.13 0.00 0.00 32.58 29.76 1x52 s HIS 97 CO 0.00 -1.76 1.90 -0.24 -2.47 0.00 0.00 174.74 172.17 1x52 h VAL 98 N -0.57 1.11 -0.18 0.89 3.04 -1.98 0.42 116.25 118.98 1x52 h VAL 98 Ca -0.45 -0.40 -0.04 0.00 -1.01 0.00 0.00 66.70 64.79 1x52 h VAL 98 Cb 1.24 -0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 1x52 h VAL 98 CO 0.53 0.21 -0.09 0.28 -1.01 0.00 0.00 177.57 177.49 1x52 h SER 99 N 1.17 0.25 0.03 3.17 0.02 -1.92 0.89 113.55 117.17 1x52 h SER 99 Ca 0.41 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1x52 h SER 99 Cb 0.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1x52 h SER 99 CO -0.15 0.38 -0.01 1.23 -1.14 0.00 0.00 176.83 177.13 1x52 h GLY 100 N 0.70 -0.04 2.00 -3.77 0.00 -1.12 -0.94 103.07 99.90 1x52 h GLY 100 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1x52 h GLY 100 CO 0.02 -0.01 -0.31 1.05 0.00 0.00 0.00 176.54 177.29 1x52 h GLU 101 N -0.34 0.00 -0.32 4.80 4.11 -0.95 -2.01 114.58 119.88 1x52 h GLU 101 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1x52 h GLU 101 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x52 h GLU 101 CO 0.01 0.31 0.15 1.96 0.07 0.00 0.00 179.01 181.50 1x52 h GLN 102 N 0.00 0.46 0.00 1.06 4.20 -0.70 -2.88 115.11 117.25 1x52 h GLN 102 Ca -0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1x52 h GLN 102 Cb 0.69 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1x52 h GLN 102 CO 0.04 0.44 -0.02 1.25 -0.67 0.00 0.00 178.83 179.87 1x52 h LEU 103 N 0.37 0.00 -0.78 1.46 5.85 -0.47 -2.59 115.31 119.15 1x52 h LEU 103 Ca 0.11 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.98 1x52 h LEU 103 Cb 0.14 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 1x52 h LEU 103 CO -0.01 0.02 0.31 -1.28 -0.34 0.00 0.00 178.44 177.14 1x52 h SER 104 N 0.00 0.28 0.00 1.25 0.87 -1.19 0.27 113.55 115.03 1x52 h SER 104 Ca -0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1x52 h SER 104 Cb 0.04 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1x52 h SER 104 CO 0.00 0.08 0.00 0.00 -0.53 0.00 0.00 176.83 176.38 1x52 n GLN 105 N -5.01 0.21 -1.63 2.24 3.00 -0.98 -1.16 117.38 114.04 1x52 n GLN 105 Ca 0.16 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.16 1x52 n GLN 105 Cb 0.46 -1.47 0.06 0.00 0.00 0.00 0.00 30.24 29.29 1x52 n GLN 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1x52 n LEU 106 N -0.97 1.74 0.00 1.08 4.77 0.56 -4.98 117.00 119.19 1x52 n LEU 106 Ca 0.05 -2.78 0.00 0.00 -0.03 0.00 0.00 56.01 53.25 1x52 n LEU 106 Cb 0.02 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1x52 n LEU 106 CO 0.04 0.90 0.00 0.35 -1.33 0.00 0.00 177.39 177.35 1x52 n THR 107 N -0.12 0.00 -0.83 -5.08 -2.24 -0.31 -1.87 114.28 103.82 1x52 n THR 107 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1x52 n THR 107 Cb 0.98 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.00 0.50 2.87 3.38 0.00 0.63 -4.85 105.19 105.72 1x52 n GLY 108 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.06 0.28 1.61 0.11 -0.78 -1.01 120.40 118.55 1x52 s VAL 109 Ca 0.00 0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 1x52 s VAL 109 Cb 0.00 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.65 1x52 s VAL 109 CO 0.00 0.08 0.43 0.00 -3.33 0.00 0.00 175.10 172.28 1x52 s ALA 110 N 1.17 0.36 -0.03 1.54 0.00 -0.18 -1.56 121.76 123.07 1x52 s ALA 110 Ca -0.09 -1.25 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 1x52 s ALA 110 Cb -0.12 1.15 0.09 0.00 0.00 0.00 0.00 23.12 24.23 1x52 s ALA 110 CO -0.05 -0.79 0.77 0.00 0.00 0.00 0.00 175.76 175.69 1x52 s ALA 111 N -3.63 -1.79 -0.08 0.00 0.00 -0.72 -0.58 121.76 114.97 1x52 s ALA 111 Ca 0.28 1.20 -0.09 0.00 0.00 0.00 0.00 51.96 53.35 1x52 s ALA 111 Cb 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1x52 s ALA 111 CO 0.14 -0.47 0.21 0.42 0.00 0.00 0.00 175.76 176.06 1x52 s ILE 112 N -1.88 5.39 0.01 0.00 1.01 0.47 -2.47 121.20 123.72 1x52 s ILE 112 Ca -0.05 0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.96 1x52 s ILE 112 Cb -0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1x52 s ILE 112 CO 0.01 0.58 0.01 -0.76 0.00 0.00 0.00 174.94 174.79 1x52 s LEU 113 N -1.12 3.56 0.19 2.97 1.43 -0.10 -1.57 118.68 124.04 1x52 s LEU 113 Ca 0.18 -0.00 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1x52 s LEU 113 Cb -0.13 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.09 1x52 s LEU 113 CO 0.07 0.27 1.64 0.03 0.23 0.00 0.00 176.35 178.59 1x52 h ARG 114 N 4.20 1.07 -3.75 1.70 3.08 -1.01 -3.46 114.38 116.21 1x52 h ARG 114 Ca -0.49 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.10 1x52 h ARG 114 Cb 1.18 -0.09 -0.17 0.00 0.08 0.00 0.00 29.97 30.96 1x52 h ARG 114 CO 0.58 1.04 -0.49 -0.59 -1.07 0.00 0.00 179.97 179.45 1x52 s PHE 115 N -5.01 0.17 0.46 3.04 -0.12 -1.26 -5.12 117.98 110.14 1x52 s PHE 115 Ca -0.12 -0.46 -0.23 0.00 -0.05 0.00 0.00 56.93 56.08 1x52 s PHE 115 Cb 0.14 -0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 1x52 s PHE 115 CO 0.86 -0.39 1.17 -1.25 -0.05 0.00 0.00 175.22 175.56 1x52 s PRO 116 N -2.66 3.73 -0.14 1.99 0.04 -1.26 -4.82 135.00 131.88 1x52 s PRO 116 Ca -0.04 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 1x52 s PRO 116 Cb -0.01 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1x52 s PRO 116 CO -0.05 -0.58 -0.03 0.08 0.04 0.00 0.00 177.00 176.46 1x52 s VAL 117 N -1.54 4.01 -0.48 -0.36 1.01 -1.25 -5.04 120.40 116.74 1x52 s VAL 117 Ca 0.64 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.02 1x52 s VAL 117 Cb -0.29 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1x52 s VAL 117 CO 0.35 0.52 2.07 -2.16 0.00 0.00 0.00 175.10 175.87 1x52 s PRO 118 N 0.08 2.62 0.08 2.72 0.04 -1.26 -4.81 135.00 134.48 1x52 s PRO 118 Ca 0.00 1.15 -0.14 0.00 0.04 0.00 0.00 61.00 62.06 1x52 s PRO 118 Cb -0.13 -4.42 0.05 0.00 0.04 0.00 0.00 34.50 30.04 1x52 s PRO 118 CO 0.02 -2.70 0.64 0.45 0.04 0.00 0.00 177.00 175.45 1x52 n SER 119 N 13.28 -0.94 -4.44 6.66 2.88 -1.26 -5.16 113.62 124.64 1x52 n SER 119 Ca 0.27 -1.44 -0.22 0.00 -1.33 0.00 0.00 58.87 56.15 1x52 n SER 119 Cb 0.51 1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 65.39 1x52 n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x52 s GLY 120 N -2.94 1.87 1.19 0.46 0.00 -1.26 -5.15 107.32 101.49 1x52 s GLY 120 Ca 0.15 -1.92 -0.18 0.00 0.00 0.00 0.00 44.72 42.77 1x52 s GLY 120 CO 0.02 -1.87 1.07 2.56 0.00 0.00 0.00 173.10 174.88 1x52 s PRO 121 N -3.70 -1.10 -0.11 2.90 0.04 -1.26 -5.07 135.00 126.71 1x52 s PRO 121 Ca 0.30 0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.51 1x52 s PRO 121 Cb 0.03 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 33.00 1x52 s PRO 121 CO 0.12 -3.68 -0.13 0.45 0.04 0.00 0.00 177.00 173.81 1x52 s SER 122 N -3.57 2.35 0.77 6.66 0.15 -1.26 -4.93 113.70 113.86 1x52 s SER 122 Ca 0.69 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1x52 s SER 122 Cb -0.14 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 1x52 s SER 122 CO 0.57 -0.02 0.00 -0.24 1.20 0.00 0.00 173.24 174.75 1x52 n SER 123 N 4.40 0.00 -0.02 5.45 2.88 -1.26 -5.17 113.62 119.90 1x52 n SER 123 Ca -0.18 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.52 1x52 n SER 123 Cb 0.51 0.00 0.93 0.00 -0.75 0.00 0.00 64.21 64.90 1x52 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42