#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts h LEU 2 N 0.00 -0.12 0.00 4.03 7.12 -1.95 -3.49 115.31 120.90 1zts h LEU 2 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1zts h LEU 2 Cb 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1zts h LEU 2 CO 0.00 -0.04 0.00 0.18 -0.13 0.00 0.00 178.44 178.45 1zts n LEU 3 N -2.64 0.00 0.00 2.25 4.77 -1.26 -5.15 117.00 114.97 1zts n LEU 3 Ca -0.02 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.77 1zts n LEU 3 Cb 0.06 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1zts n LEU 3 CO 0.04 0.00 0.55 2.30 -1.33 0.00 0.00 177.39 178.95 1zts n ILE 4 N 0.00 0.00 -4.34 -0.08 -5.35 -1.26 -5.10 119.36 103.22 1zts n ILE 4 Ca 0.00 -0.58 -0.18 0.00 -0.27 0.00 0.00 62.75 61.72 1zts n ILE 4 Cb 0.00 -1.56 -0.10 0.00 -1.74 0.00 0.00 39.64 36.24 1zts n ILE 4 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zts s THR 5 N -2.81 1.69 0.12 7.28 -4.23 -1.26 -5.03 115.64 111.40 1zts s THR 5 Ca 0.50 -2.20 0.34 0.00 -1.18 0.00 0.00 61.69 59.15 1zts s THR 5 Cb -0.02 -2.06 0.39 0.00 1.34 0.00 0.00 72.50 72.15 1zts s THR 5 CO 0.36 -0.58 2.00 1.55 -0.54 0.00 0.00 174.62 177.40 1zts h PRO 6 N 2.55 0.00 0.02 3.99 0.13 -1.88 -2.80 132.00 134.01 1zts h PRO 6 Ca -0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.54 1zts h PRO 6 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1zts h PRO 6 CO 0.62 0.00 -1.00 0.22 -0.23 0.00 0.00 178.00 177.61 1zts h ASP 7 N 0.00 0.09 0.20 1.44 -0.00 -1.94 -3.28 116.42 112.93 1zts h ASP 7 Ca 0.00 -0.09 -0.20 0.00 -0.00 0.00 0.00 57.03 56.74 1zts h ASP 7 Cb 0.49 -0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 39.79 1zts h ASP 7 CO 0.00 1.03 -0.77 -0.08 -0.00 0.00 0.00 179.24 179.43 1zts h GLU 8 N 0.02 0.47 -0.20 0.28 4.22 -1.92 -2.84 114.58 114.61 1zts h GLU 8 Ca -0.03 -0.40 0.05 0.00 0.08 0.00 0.00 59.36 59.06 1zts h GLU 8 Cb 1.73 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.02 1zts h GLU 8 CO 0.14 1.03 -0.10 1.25 -2.18 0.00 0.00 179.01 179.15 1zts h LEU 9 N 0.31 -0.33 -0.95 1.64 5.85 -1.59 -1.29 115.31 118.95 1zts h LEU 9 Ca -0.04 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1zts h LEU 9 Cb 1.36 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 1zts h LEU 9 CO 0.14 -0.13 -0.15 0.07 -0.34 0.00 0.00 178.44 178.03 1zts h LYS 10 N -0.08 0.60 -0.76 1.25 2.10 -1.64 0.24 116.57 118.29 1zts h LYS 10 Ca 0.11 -0.19 0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1zts h LYS 10 Cb 0.24 -0.05 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 1zts h LYS 10 CO -0.25 0.73 0.50 1.03 -2.00 0.00 0.00 179.45 179.46 1zts h SER 11 N 0.54 0.84 0.02 7.07 0.87 -1.08 -3.14 113.55 118.67 1zts h SER 11 Ca 0.09 -0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 1zts h SER 11 Cb 0.57 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1zts h SER 11 CO 0.04 0.60 -1.09 0.22 -0.53 0.00 0.00 176.83 176.06 1zts h TYR 12 N 0.99 0.09 -3.02 2.24 5.03 -0.98 -3.48 116.97 117.85 1zts h TYR 12 Ca 0.29 -0.07 -0.51 0.00 2.58 0.00 0.00 58.73 61.02 1zts h TYR 12 Cb -0.04 -0.00 0.22 0.00 1.55 0.00 0.00 36.73 38.45 1zts h TYR 12 CO -0.00 1.43 -0.78 -1.13 -1.32 0.00 0.00 178.16 176.35 1zts n SER 13 N -4.34 -2.31 -0.00 -2.11 3.41 0.83 -4.96 113.62 104.15 1zts n SER 13 Ca -0.27 0.19 0.02 0.00 -0.26 0.00 0.00 58.87 58.54 1zts n SER 13 Cb 0.70 -1.11 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 1zts n SER 13 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1zts n VAL 14 N -3.81 0.03 -2.15 -3.33 0.24 -1.26 -4.89 118.33 103.16 1zts n VAL 14 Ca 0.05 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.34 61.83 1zts n VAL 14 Cb 0.56 0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 33.14 1zts n VAL 14 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1zts s PHE 15 N -2.25 3.22 -0.13 6.34 0.08 -1.26 -4.89 117.98 119.09 1zts s PHE 15 Ca -0.02 0.95 0.30 0.00 0.12 0.00 0.00 56.93 58.28 1zts s PHE 15 Cb 0.02 -3.70 1.26 0.00 -0.57 0.00 0.00 43.02 40.03 1zts s PHE 15 CO 0.16 -2.44 1.88 1.49 -0.10 0.00 0.00 175.22 176.21 1zts h GLU 16 N 6.63 0.00 -0.11 0.44 4.81 -1.99 -2.69 114.58 121.66 1zts h GLU 16 Ca -0.42 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.64 1zts h GLU 16 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1zts h GLU 16 CO 0.86 0.00 -0.64 0.77 -0.73 0.00 0.00 179.01 179.27 1zts h SER 17 N 0.00 0.49 0.55 1.04 0.02 -1.93 0.26 113.55 113.98 1zts h SER 17 Ca 0.00 -0.29 -0.19 0.00 -0.84 0.00 0.00 61.79 60.47 1zts h SER 17 Cb 0.40 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1zts h SER 17 CO 0.00 1.00 -0.84 0.58 -1.14 0.00 0.00 176.83 176.43 1zts h VAL 18 N 0.31 1.48 0.03 2.27 2.07 -1.73 -3.10 116.25 117.58 1zts h VAL 18 Ca -0.01 -2.53 -0.11 0.00 0.82 0.00 0.00 66.70 64.87 1zts h VAL 18 Cb 1.18 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1zts h VAL 18 CO 0.11 0.74 -0.54 0.11 0.02 0.00 0.00 177.57 178.01 1zts h LYS 19 N 0.12 0.07 -0.83 1.57 1.57 -1.50 -3.32 116.57 114.25 1zts h LYS 19 Ca -0.04 -0.12 0.24 0.00 -1.87 0.00 0.00 60.65 58.86 1zts h LYS 19 Cb 1.45 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.77 1zts h LYS 19 CO 0.13 1.06 0.60 0.00 -0.57 0.00 0.00 179.45 180.66 1zts h THR 20 N -0.83 0.58 -4.24 -0.16 1.03 -0.60 -3.41 112.91 105.27 1zts h THR 20 Ca -0.13 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 65.76 1zts h THR 20 Cb 1.24 0.58 0.10 0.00 -1.07 0.00 0.00 68.15 69.00 1zts h THR 20 CO -0.02 0.00 0.36 -0.13 -0.01 0.00 0.00 175.52 175.72 1zts s ARG 21 N -4.98 2.83 0.20 0.00 0.52 -1.17 -5.05 118.95 111.31 1zts s ARG 21 Ca -0.05 1.23 -0.03 0.00 -0.52 0.00 0.00 55.73 56.36 1zts s ARG 21 Cb 0.21 -1.97 0.05 0.00 0.52 0.00 0.00 34.95 33.77 1zts s ARG 21 CO 0.76 -1.20 0.18 -0.35 0.02 0.00 0.00 175.30 174.71 1zts n PRO 22 N -2.66 -1.37 -0.04 3.54 -0.04 -1.26 -4.89 135.00 128.28 1zts n PRO 22 Ca 0.09 -0.29 -0.14 0.00 -0.04 0.00 0.00 63.50 63.13 1zts n PRO 22 Cb 0.53 -0.27 -0.14 0.00 -0.04 0.00 0.00 33.50 33.58 1zts n PRO 22 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1zts n ASP 23 N -3.31 1.22 0.17 3.54 5.68 -1.26 -2.85 116.55 119.74 1zts n ASP 23 Ca 0.02 0.21 0.05 0.00 -0.50 0.00 0.00 54.79 54.57 1zts n ASP 23 Cb 0.10 -0.14 0.49 0.00 -1.14 0.00 0.00 41.12 40.42 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1zts h GLU 24 N 0.02 0.13 0.07 0.11 4.11 -1.98 -2.14 114.58 114.90 1zts h GLU 24 Ca -0.41 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 58.66 1zts h GLU 24 Cb 2.05 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 1zts h GLU 24 CO 0.05 0.23 -1.90 1.28 0.07 0.00 0.00 179.01 178.74 1zts n LEU 25 N -4.37 1.85 -0.28 3.06 4.77 -1.26 -3.85 117.00 116.93 1zts n LEU 25 Ca -0.01 0.28 0.03 0.00 -0.03 0.00 0.00 56.01 56.28 1zts n LEU 25 Cb 0.20 -0.54 0.24 0.00 -2.33 0.00 0.00 43.42 40.99 1zts n LEU 25 CO 0.36 0.65 1.25 -0.07 -1.33 0.00 0.00 177.39 178.26 1zts h LEU 26 N 0.04 0.91 -0.83 2.23 3.38 -1.35 -1.45 115.31 118.23 1zts h LEU 26 Ca -0.37 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 1zts h LEU 26 Cb 2.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1zts h LEU 26 CO 0.08 0.61 -0.35 0.07 0.09 0.00 0.00 178.44 178.94 1zts h LYS 27 N 1.04 0.45 -0.58 1.13 2.10 -1.55 -2.85 116.57 116.31 1zts h LYS 27 Ca 0.36 -0.20 0.02 0.00 -2.00 0.00 0.00 60.65 58.82 1zts h LYS 27 Cb 0.09 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.38 1zts h LYS 27 CO -0.12 0.74 0.39 1.96 -2.00 0.00 0.00 179.45 180.43 1zts h GLN 28 N 0.38 0.73 -0.01 0.07 4.20 -1.37 0.14 115.11 119.25 1zts h GLN 28 Ca 0.04 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1zts h GLN 28 Cb 0.80 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1zts h GLN 28 CO 0.06 0.48 -0.76 -0.44 -0.67 0.00 0.00 178.83 177.51 1zts h ASP 29 N 0.75 0.08 0.04 1.46 3.32 -1.30 -2.69 116.42 118.07 1zts h ASP 29 Ca 0.22 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1zts h ASP 29 Cb -0.02 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1zts h ASP 29 CO -0.05 0.80 -0.02 0.40 -1.72 0.00 0.00 179.24 178.65 1zts h ILE 30 N 0.04 1.37 0.00 0.35 2.04 -1.09 -2.30 117.51 117.91 1zts h ILE 30 Ca -0.02 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 1zts h ILE 30 Cb 1.33 2.32 -0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1zts h ILE 30 CO 0.10 0.37 -0.04 -0.07 0.00 0.00 0.00 178.15 178.51 1zts h LEU 31 N -0.73 0.00 -0.00 1.44 3.38 -1.10 -0.73 115.31 117.58 1zts h LEU 31 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zts h LEU 31 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1zts h LEU 31 CO 0.01 0.04 -0.45 -0.08 0.09 0.00 0.00 178.44 178.04 1zts h GLU 32 N 0.00 0.00 -0.11 1.13 4.81 -1.49 -3.30 114.58 115.62 1zts h GLU 32 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1zts h GLU 32 Cb 0.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.46 1zts h GLU 32 CO 0.00 0.45 -0.63 0.00 -0.73 0.00 0.00 179.01 178.11 1zts h ALA 33 N 1.55 0.23 -0.10 2.92 0.00 -0.55 -3.10 119.26 120.21 1zts h ALA 33 Ca -0.00 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1zts h ALA 33 Cb 1.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1zts h ALA 33 CO 0.06 0.50 0.20 0.00 0.00 0.00 0.00 179.25 180.01 1zts h THR 34 N 0.27 0.21 -0.02 0.00 1.03 -1.52 0.81 112.91 113.69 1zts h THR 34 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.28 1zts h THR 34 Cb 1.28 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.16 1zts h THR 34 CO 0.13 0.00 -0.33 0.00 -0.01 0.00 0.00 175.52 175.31 1zts h ALA 35 N 1.68 1.41 0.01 0.00 0.00 -1.66 -2.17 119.26 118.52 1zts h ALA 35 Ca 0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1zts h ALA 35 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1zts h ALA 35 CO -0.00 0.44 -0.12 0.22 0.00 0.00 0.00 179.25 179.79 1zts h ASP 36 N 0.04 0.09 -0.95 0.00 3.58 -0.98 -2.90 116.42 115.31 1zts h ASP 36 Ca 0.00 -0.85 0.07 0.00 0.42 0.00 0.00 57.03 56.68 1zts h ASP 36 Cb 0.61 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.57 1zts h ASP 36 CO 0.04 0.93 0.61 0.40 -2.88 0.00 0.00 179.24 178.35 1zts h ILE 37 N -0.73 1.05 -0.23 2.25 2.04 -1.49 -1.20 117.51 119.19 1zts h ILE 37 Ca -0.02 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 1zts h ILE 37 Cb 0.96 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1zts h ILE 37 CO 0.02 0.19 -0.30 0.40 0.00 0.00 0.00 178.15 178.46 1zts h ILE 38 N 1.06 1.28 0.00 -0.67 2.04 -1.48 -2.38 117.51 117.36 1zts h ILE 38 Ca 0.42 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1zts h ILE 38 Cb 0.24 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1zts h ILE 38 CO -0.17 0.43 -0.10 -0.07 0.00 0.00 0.00 178.15 178.24 1zts h LEU 39 N 0.41 0.00 0.06 1.44 3.38 -1.01 0.27 115.31 119.86 1zts h LEU 39 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1zts h LEU 39 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1zts h LEU 39 CO 0.06 0.10 -0.80 0.11 0.09 0.00 0.00 178.44 178.00 1zts h LYS 40 N 0.00 0.13 -0.10 1.13 1.57 -1.03 -3.36 116.57 114.92 1zts h LYS 40 Ca -0.00 -0.22 -0.16 0.00 -1.87 0.00 0.00 60.65 58.39 1zts h LYS 40 Cb 0.43 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1zts h LYS 40 CO 0.01 1.11 -0.64 -0.39 -0.57 0.00 0.00 179.45 178.97 1zts h VAL 41 N -0.68 1.37 -0.07 0.50 -1.51 -1.33 -3.47 116.25 111.07 1zts h VAL 41 Ca -0.18 -2.01 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 1zts h VAL 41 Cb 1.40 2.00 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1zts h VAL 41 CO 0.01 0.60 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 1zts n GLY 42 N 0.38 1.18 3.63 5.19 0.00 0.92 -2.62 105.19 113.87 1zts n GLY 42 Ca -0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 1zts n GLY 42 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zts s HIS 43 N -2.07 -0.14 0.13 1.61 -3.43 -1.08 -4.92 115.29 105.40 1zts s HIS 43 Ca 0.00 0.29 0.02 0.00 -0.80 0.00 0.00 55.06 54.57 1zts s HIS 43 Cb 0.00 0.47 0.02 0.00 -1.43 0.00 0.00 32.58 31.64 1zts s HIS 43 CO 0.00 -0.10 0.16 -0.40 -2.00 0.00 0.00 174.74 172.40 1zts n ASP 44 N 1.10 0.76 -2.42 7.38 5.68 -1.26 -4.65 116.55 123.14 1zts n ASP 44 Ca -0.06 -1.38 -0.19 0.00 -0.50 0.00 0.00 54.79 52.65 1zts n ASP 44 Cb 0.58 -0.07 0.02 0.00 -1.14 0.00 0.00 41.12 40.50 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1zts n PHE 45 N -1.15 2.50 -0.01 2.11 0.99 -1.26 -4.83 117.46 115.81 1zts n PHE 45 Ca 0.03 -2.64 -0.17 0.00 -0.00 0.00 0.00 57.45 54.68 1zts n PHE 45 Cb 0.14 -0.24 -0.12 0.00 -1.00 0.00 0.00 39.48 38.27 1zts n PHE 45 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1zts h SER 46 N 2.53 0.34 -1.67 4.37 0.02 -1.98 -3.43 113.55 113.74 1zts h SER 46 Ca 0.19 -0.81 -0.67 0.00 -0.84 0.00 0.00 61.79 59.66 1zts h SER 46 Cb 1.21 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.65 1zts h SER 46 CO 0.66 1.11 1.11 0.47 -1.14 0.00 0.00 176.83 179.05 1zts n ASP 47 N -4.37 2.83 0.33 3.07 9.92 -1.26 -4.80 116.55 122.28 1zts n ASP 47 Ca -0.11 0.87 0.22 0.00 -0.53 0.00 0.00 54.79 55.25 1zts n ASP 47 Cb 0.60 -1.28 1.20 0.00 -0.64 0.00 0.00 41.12 41.01 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1zts h ALA 48 N 9.35 1.00 -0.64 2.24 0.00 -2.02 -0.15 119.26 129.05 1zts h ALA 48 Ca -0.43 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 1zts h ALA 48 Cb 1.30 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.96 1zts h ALA 48 CO 0.97 0.00 0.27 -0.85 0.00 0.00 0.00 179.25 179.64 1zts n GLU 49 N -3.04 3.03 -2.68 0.00 0.00 -1.26 -4.42 120.64 112.27 1zts n GLU 49 Ca -0.03 -2.47 -0.04 0.00 0.00 0.00 0.00 57.16 54.62 1zts n GLU 49 Cb 0.07 -2.03 0.10 0.00 0.00 0.00 0.00 31.44 29.58 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1zts n TYR 50 N -0.18 -0.93 -3.33 -1.84 9.36 -0.07 -5.07 117.16 115.10 1zts n TYR 50 Ca 0.36 -0.96 -0.30 0.00 3.32 0.00 0.00 57.90 60.31 1zts n TYR 50 Cb 1.24 1.24 -0.06 0.00 -0.63 0.00 0.00 39.34 41.12 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1zts n ILE 51 N 0.80 3.00 -2.26 2.97 5.41 -1.23 -4.61 119.36 123.44 1zts n ILE 51 Ca -0.02 -5.38 -0.35 0.00 1.00 0.00 0.00 62.75 58.00 1zts n ILE 51 Cb 0.73 -2.08 -0.00 0.00 -0.71 0.00 0.00 39.64 37.58 1zts n ILE 51 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1zts s PRO 52 N -2.58 3.42 -0.47 0.38 0.04 -1.26 -5.03 135.00 129.50 1zts s PRO 52 Ca 0.38 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1zts s PRO 52 Cb 0.13 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.80 1zts s PRO 52 CO 0.01 -0.80 0.61 -0.11 0.04 0.00 0.00 177.00 176.76 1zts n LEU 53 N -1.17 -2.26 0.00 -3.56 7.94 -1.26 -5.04 117.00 111.64 1zts n LEU 53 Ca 0.11 -3.52 -0.01 0.00 -1.11 0.00 0.00 56.01 51.48 1zts n LEU 53 Cb 0.50 0.70 0.01 0.00 0.53 0.00 0.00 43.42 45.16 1zts n LEU 53 CO 0.43 1.93 0.02 -0.81 -1.11 0.00 0.00 177.39 177.85 1zts n PRO 54 N 2.69 -1.10 0.14 1.96 -0.04 -1.26 -4.90 135.00 132.48 1zts n PRO 54 Ca 0.21 -0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1zts n PRO 54 Cb 0.54 -0.07 0.04 0.00 -0.04 0.00 0.00 33.50 33.98 1zts n PRO 54 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1zts h GLU 55 N 0.00 0.00 0.01 0.54 4.81 -2.00 -3.25 114.58 114.68 1zts h GLU 55 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1zts h GLU 55 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1zts h GLU 55 CO 0.01 0.19 -0.00 1.79 -0.73 0.00 0.00 179.01 180.27 1zts h THR 56 N 0.00 1.57 -0.34 0.32 1.35 -1.93 -3.14 112.91 110.74 1zts h THR 56 Ca -0.03 -1.74 0.04 0.00 -0.55 0.00 0.00 66.41 64.13 1zts h THR 56 Cb 1.21 2.74 -0.04 0.00 -1.73 0.00 0.00 68.15 70.33 1zts h THR 56 CO 0.03 0.45 0.10 0.58 -0.25 0.00 0.00 175.52 176.42 1zts h VAL 57 N -0.76 0.88 -0.70 6.82 2.07 -1.81 0.25 116.25 123.00 1zts h VAL 57 Ca -0.00 -0.08 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1zts h VAL 57 Cb 0.74 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 1zts h VAL 57 CO 0.00 0.04 0.25 0.03 0.02 0.00 0.00 177.57 177.92 1zts h ARG 58 N 0.23 0.39 -0.16 1.57 3.08 -1.66 0.85 114.38 118.68 1zts h ARG 58 Ca 0.15 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.98 1zts h ARG 58 Cb 0.15 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1zts h ARG 58 CO -0.18 0.26 -0.68 1.25 -1.07 0.00 0.00 179.97 179.55 1zts h LEU 59 N 0.40 0.88 -0.66 3.04 5.85 -1.35 -2.42 115.31 121.05 1zts h LEU 59 Ca 0.38 -0.62 0.05 0.00 0.84 0.00 0.00 57.88 58.54 1zts h LEU 59 Cb 0.56 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 1zts h LEU 59 CO -0.39 1.35 0.37 0.00 -0.34 0.00 0.00 178.44 179.44 1zts h ALA 60 N 0.55 0.88 -0.29 1.25 0.00 0.50 -1.30 119.26 120.86 1zts h ALA 60 Ca -0.04 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1zts h ALA 60 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1zts h ALA 60 CO 0.14 0.06 -0.43 1.25 0.00 0.00 0.00 179.25 180.27 1zts h LEU 61 N 0.70 0.79 -1.38 0.00 7.12 -0.90 -2.49 115.31 119.16 1zts h LEU 61 Ca 0.29 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.92 1zts h LEU 61 Cb 0.16 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.04 1zts h LEU 61 CO -0.17 1.11 0.29 -0.07 -0.13 0.00 0.00 178.44 179.47 1zts h LEU 62 N 0.60 0.63 0.12 2.25 3.38 -0.87 0.27 115.31 121.69 1zts h LEU 62 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1zts h LEU 62 Cb 0.99 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1zts h LEU 62 CO 0.09 0.51 -0.06 0.11 0.09 0.00 0.00 178.44 179.18 1zts h LYS 63 N 0.72 -0.15 -0.22 1.13 1.57 -1.13 -3.19 116.57 115.30 1zts h LYS 63 Ca 0.19 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1zts h LYS 63 Cb 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1zts h LYS 63 CO -0.03 0.33 0.03 -0.07 -0.57 0.00 0.00 179.45 179.14 1zts h LEU 64 N -0.78 0.29 -0.88 2.94 3.38 -1.30 -2.33 115.31 116.63 1zts h LEU 64 Ca -0.02 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1zts h LEU 64 Cb 0.55 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1zts h LEU 64 CO 0.03 0.32 0.55 0.28 0.09 0.00 0.00 178.44 179.70 1zts h SER 65 N 0.32 0.84 0.69 -0.43 0.02 -0.50 -1.52 113.55 112.97 1zts h SER 65 Ca 0.08 0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 1zts h SER 65 Cb 0.16 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1zts h SER 65 CO -0.00 0.52 -0.85 -0.61 -1.14 0.00 0.00 176.83 174.76 1zts h GLN 66 N 0.97 0.11 0.16 3.45 -0.00 -1.42 -2.91 115.11 115.48 1zts h GLN 66 Ca 0.40 -0.12 0.01 0.00 -0.00 0.00 0.00 58.65 58.94 1zts h GLN 66 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.72 1zts h GLN 66 CO -0.19 0.89 -0.23 0.35 0.00 0.00 0.00 178.83 179.65 1zts h PHE 67 N 0.06 -0.60 -0.13 3.99 3.04 -0.85 0.18 116.94 122.64 1zts h PHE 67 Ca -0.03 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1zts h PHE 67 Cb 1.47 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 40.22 1zts h PHE 67 CO 0.02 -0.33 0.02 1.88 -2.02 0.00 0.00 178.31 177.88 1zts h TYR 68 N -0.45 0.22 -0.29 0.41 -1.99 -1.53 -2.61 116.97 110.74 1zts h TYR 68 Ca 0.01 -0.03 0.08 0.00 2.00 0.00 0.00 58.73 60.80 1zts h TYR 68 Cb 0.45 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 1zts h TYR 68 CO -0.19 0.38 0.27 0.00 -0.00 0.00 0.00 178.16 178.63 1zts h ALA 69 N 0.81 2.02 0.00 3.88 0.00 -1.36 0.36 119.26 124.96 1zts h ALA 69 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1zts h ALA 69 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1zts h ALA 69 CO 0.00 -0.42 -0.20 1.25 0.00 0.00 0.00 179.25 179.88 1zts h LEU 70 N 0.00 0.00 -1.66 0.00 5.85 -0.55 -2.98 115.31 115.97 1zts h LEU 70 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1zts h LEU 70 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1zts h LEU 70 CO -0.00 0.20 0.00 2.30 -0.34 0.00 0.00 178.44 180.60 1zts n ILE 71 N -3.39 0.24 0.32 4.05 -5.35 0.86 -4.58 119.36 111.51 1zts n ILE 71 Ca 0.00 -0.62 0.20 0.00 -0.27 0.00 0.00 62.75 62.06 1zts n ILE 71 Cb 0.41 0.98 1.08 0.00 -1.74 0.00 0.00 39.64 40.37 1zts n ILE 71 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 1zts h ASN 72 N 1.26 0.00 0.00 7.28 -0.26 -0.33 -3.43 115.58 120.10 1zts h ASN 72 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1zts h ASN 72 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1zts h ASN 72 CO 0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 1zts n GLY 73 N -1.18 -0.78 1.34 2.83 0.00 -1.26 -5.09 105.19 101.05 1zts n GLY 73 Ca -0.02 0.41 0.17 0.00 0.00 0.00 0.00 46.02 46.57 1zts n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 74 N -0.07 -7.62 -2.33 1.61 2.03 -1.26 -4.48 116.55 104.43 1zts n ASP 74 Ca 0.00 1.20 -0.30 0.00 0.52 0.00 0.00 54.79 56.21 1zts n ASP 74 Cb 0.00 -4.51 0.04 0.00 -0.72 0.00 0.00 41.12 35.92 1zts n ASP 74 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1zts n GLU 75 N -4.18 3.19 -1.76 -0.67 4.07 -1.26 -4.54 120.64 115.49 1zts n GLU 75 Ca -0.07 -3.89 -0.01 0.00 -0.06 0.00 0.00 57.16 53.13 1zts n GLU 75 Cb 0.63 -2.28 -0.00 0.00 -0.06 0.00 0.00 31.44 29.73 1zts n GLU 75 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1zts n SER 76 N -0.70 -0.24 -3.78 4.31 2.88 -1.26 -5.15 113.62 109.68 1zts n SER 76 Ca 0.50 -1.14 -0.15 0.00 -1.33 0.00 0.00 58.87 56.75 1zts n SER 76 Cb 0.71 0.22 -0.16 0.00 -0.75 0.00 0.00 64.21 64.23 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1zts s ILE 77 N 0.00 -0.00 -0.12 2.46 1.01 -1.26 -4.44 121.20 118.85 1zts s ILE 77 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 1zts s ILE 77 Cb 0.01 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.39 1zts s ILE 77 CO -0.00 0.10 -0.03 -0.63 0.00 0.00 0.00 174.94 174.38 1zts s ILE 78 N 1.05 0.74 -0.38 2.92 -1.09 -1.26 -4.97 121.20 118.20 1zts s ILE 78 Ca -0.09 -0.26 0.07 0.00 -2.23 0.00 0.00 60.65 58.14 1zts s ILE 78 Cb -0.13 -0.92 0.58 0.00 -1.58 0.00 0.00 42.46 40.41 1zts s ILE 78 CO -0.03 0.20 1.59 2.29 -1.23 0.00 0.00 174.94 177.75 1zts n LYS 79 N 5.02 3.00 -0.37 2.79 2.85 -1.26 -4.05 118.16 126.13 1zts n LYS 79 Ca -0.10 -2.38 0.00 0.00 -1.05 0.00 0.00 58.31 54.79 1zts n LYS 79 Cb 0.49 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1zts n GLY 80 N -0.14 -0.31 0.01 2.58 0.00 -1.26 -4.86 105.19 101.22 1zts n GLY 80 Ca 0.34 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.78 1zts n GLY 80 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1zts n TYR 81 N -0.06 -2.10 -2.67 1.61 9.36 -1.26 -4.22 117.16 117.82 1zts n TYR 81 Ca 0.00 -0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.05 1zts n TYR 81 Cb 0.00 -0.01 0.02 0.00 -0.63 0.00 0.00 39.34 38.72 1zts n TYR 81 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1zts n THR 82 N -2.96 -1.31 -1.57 2.97 -1.04 -1.26 -4.58 114.28 104.54 1zts n THR 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1zts n THR 82 Cb 0.00 -2.78 0.00 0.00 -1.82 0.00 0.00 70.33 65.73 1zts n THR 82 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1zts n THR 83 N -4.16 -6.45 -3.91 12.58 -2.24 -1.26 -5.10 114.28 103.73 1zts n THR 83 Ca -0.12 2.29 -0.02 0.00 -2.27 0.00 0.00 64.05 63.93 1zts n THR 83 Cb 0.61 -3.45 0.02 0.00 -2.10 0.00 0.00 70.33 65.41 1zts n THR 83 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zts n GLU 84 N 0.62 0.60 -1.87 -0.78 1.02 -1.26 -5.09 120.64 113.87 1zts n GLU 84 Ca 0.00 -1.40 -0.41 0.00 -0.02 0.00 0.00 57.16 55.33 1zts n GLU 84 Cb 0.00 1.92 -0.01 0.00 -0.02 0.00 0.00 31.44 33.33 1zts n GLU 84 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1zts s LYS 85 N -2.05 4.17 0.04 3.49 0.00 -1.26 -5.02 119.74 119.11 1zts s LYS 85 Ca 0.24 2.48 0.04 0.00 0.00 0.00 0.00 55.97 58.72 1zts s LYS 85 Cb -0.03 -3.03 -0.02 0.00 0.00 0.00 0.00 37.83 34.76 1zts s LYS 85 CO 0.05 -0.50 -0.11 0.42 0.00 0.00 0.00 175.35 175.21 1zts s ILE 86 N -0.54 0.84 0.00 3.79 1.01 -1.26 -4.80 121.20 120.24 1zts s ILE 86 Ca 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1zts s ILE 86 Cb -0.45 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1zts s ILE 86 CO 0.53 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1zts n GLY 87 N 1.87 2.64 0.00 6.18 0.00 -1.26 -5.05 105.19 109.57 1zts n GLY 87 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1zts n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zts n ASP 88 N 0.00 0.00 -4.58 1.61 9.92 -1.26 -5.01 116.55 117.22 1zts n ASP 88 Ca 0.00 -0.98 -0.43 0.00 -0.53 0.00 0.00 54.79 52.85 1zts n ASP 88 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1zts n ASP 88 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1zts s TYR 89 N 0.02 2.80 -0.30 1.24 6.14 -1.26 -4.82 117.35 121.17 1zts s TYR 89 Ca 0.00 0.54 -0.05 0.00 0.64 0.00 0.00 57.07 58.20 1zts s TYR 89 Cb 0.00 -4.33 0.27 0.00 0.42 0.00 0.00 41.96 38.32 1zts s TYR 89 CO 0.00 -1.30 1.27 0.43 0.64 0.00 0.00 175.55 176.60 1zts n SER 90 N 7.77 -1.04 -4.25 4.32 7.64 -1.26 -5.16 113.62 121.64 1zts n SER 90 Ca 0.09 -1.35 -0.19 0.00 1.01 0.00 0.00 58.87 58.44 1zts n SER 90 Cb 0.49 0.52 -0.10 0.00 -1.01 0.00 0.00 64.21 64.11 1zts n SER 90 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1zts s TYR 91 N 0.19 1.64 0.03 1.43 2.02 -1.26 -4.29 117.35 117.11 1zts s TYR 91 Ca 0.25 -1.19 -0.02 0.00 -0.37 0.00 0.00 57.07 55.73 1zts s TYR 91 Cb 0.19 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1zts s TYR 91 CO -0.07 -0.32 0.00 0.99 -1.57 0.00 0.00 175.55 174.59 1zts s THR 92 N -3.61 0.15 0.42 -0.71 2.01 -1.26 -4.18 115.64 108.47 1zts s THR 92 Ca 0.36 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1zts s THR 92 Cb 0.07 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1zts s THR 92 CO 0.15 -0.66 0.11 -0.76 -0.69 0.00 0.00 174.62 172.76 1zts s LEU 93 N -2.01 2.06 0.57 4.42 1.43 0.99 -4.38 118.68 121.76 1zts s LEU 93 Ca -0.07 -1.66 0.34 0.00 -1.03 0.00 0.00 54.13 51.71 1zts s LEU 93 Cb -0.03 -0.22 1.68 0.00 0.03 0.00 0.00 46.19 47.64 1zts s LEU 93 CO -0.04 -0.91 2.12 1.23 0.23 0.00 0.00 176.35 178.98 1zts h GLY 94 N 1.72 0.00 -3.20 -3.19 0.00 -1.88 -2.00 103.07 94.53 1zts h GLY 94 Ca -0.37 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 1zts h GLY 94 CO 0.60 0.00 0.20 1.22 0.00 0.00 0.00 176.54 178.56 1zts n ASP 95 N -3.28 4.24 -1.53 0.19 8.00 -1.26 -4.87 116.55 118.04 1zts n ASP 95 Ca -0.01 -2.92 -0.19 0.00 0.71 0.00 0.00 54.79 52.37 1zts n ASP 95 Cb 0.22 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zts n GLY 96 N -0.01 1.82 3.97 0.44 0.00 -0.75 -4.96 105.19 105.70 1zts n GLY 96 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 1zts n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zts s SER 97 N -2.64 6.32 -0.32 1.61 0.01 -1.26 -4.83 113.70 112.60 1zts s SER 97 Ca 0.00 0.09 0.10 0.00 1.31 0.00 0.00 55.95 57.46 1zts s SER 97 Cb 0.00 -1.87 0.76 0.00 0.21 0.00 0.00 66.02 65.12 1zts s SER 97 CO 0.00 -0.06 1.81 -1.20 0.41 0.00 0.00 173.24 174.20 1zts n SER 98 N -1.31 4.97 -2.77 2.44 7.64 -1.26 -0.01 113.62 123.32 1zts n SER 98 Ca -0.09 -3.20 -0.02 0.00 1.01 0.00 0.00 58.87 56.57 1zts n SER 98 Cb 0.57 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 1zts n SER 98 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1zts n LEU 99 N -0.07 -6.31 -4.74 -3.43 7.94 -1.26 -4.54 117.00 104.59 1zts n LEU 99 Ca 0.40 1.64 -0.41 0.00 -1.11 0.00 0.00 56.01 56.53 1zts n LEU 99 Cb 1.38 -2.89 -0.03 0.00 0.53 0.00 0.00 43.42 42.40 1zts n LEU 99 CO 0.43 -3.34 0.88 -1.58 -1.11 0.00 0.00 177.39 172.67 1zts s GLN 100 N -0.94 4.50 0.73 1.96 0.74 -1.26 -5.01 119.66 120.37 1zts s GLN 100 Ca -0.12 1.90 -0.12 0.00 0.05 0.00 0.00 55.36 57.07 1zts s GLN 100 Cb 0.01 -3.22 0.03 0.00 1.10 0.00 0.00 33.01 30.93 1zts s GLN 100 CO 0.60 -0.06 1.09 0.15 -0.55 0.00 0.00 175.29 176.52 1zts s LYS 101 N -0.51 2.53 0.51 1.67 1.02 -1.26 -5.01 119.74 118.69 1zts s LYS 101 Ca 0.52 1.20 -0.21 0.00 0.02 0.00 0.00 55.97 57.50 1zts s LYS 101 Cb -0.33 -1.93 -0.07 0.00 -0.52 0.00 0.00 37.83 34.98 1zts s LYS 101 CO 0.38 -1.44 1.14 -1.25 -0.92 0.00 0.00 175.35 173.27 1zts s PRO 102 N -4.68 3.52 -1.39 -1.68 0.04 -1.26 -4.93 135.00 124.63 1zts s PRO 102 Ca 0.62 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 63.21 1zts s PRO 102 Cb -0.18 -2.17 0.08 0.00 0.04 0.00 0.00 34.50 32.28 1zts s PRO 102 CO 0.51 -0.72 2.07 -0.25 0.04 0.00 0.00 177.00 178.65 1zts n ASP 103 N -0.96 4.34 -1.64 6.66 10.43 -1.26 -4.67 116.55 129.44 1zts n ASP 103 Ca 0.10 -2.93 -0.01 0.00 2.57 0.00 0.00 54.79 54.52 1zts n ASP 103 Cb 0.50 -1.61 0.26 0.00 1.84 0.00 0.00 41.12 42.10 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1zts n VAL 104 N 4.69 2.22 0.04 2.53 0.24 -1.26 -4.40 118.33 122.40 1zts n VAL 104 Ca 0.48 -1.15 -0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1zts n VAL 104 Cb 0.39 -0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 32.26 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 2.35 -0.15 -0.22 6.34 3.20 -1.98 -3.03 116.97 123.48 1zts h TYR 105 Ca 0.13 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1zts h TYR 105 Cb 1.83 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.14 1zts h TYR 105 CO 0.92 0.31 0.26 0.00 -1.64 0.00 0.00 178.16 178.01 1zts h ALA 106 N 0.02 1.83 0.06 1.82 0.00 -1.98 0.19 119.26 121.20 1zts h ALA 106 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zts h ALA 106 Cb 0.53 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zts h ALA 106 CO 0.03 -0.37 -0.03 -0.07 0.00 0.00 0.00 179.25 178.80 1zts h LEU 107 N 0.00 -0.07 -1.75 0.00 3.38 -1.83 -3.16 115.31 111.88 1zts h LEU 107 Ca 0.10 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1zts h LEU 107 Cb 0.62 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1zts h LEU 107 CO -0.00 0.43 0.00 2.30 0.09 0.00 0.00 178.44 181.26 1zts n ILE 108 N -4.89 0.81 0.37 1.22 -5.35 -0.71 -4.09 119.36 106.72 1zts n ILE 108 Ca -0.09 -0.61 0.10 0.00 -0.27 0.00 0.00 62.75 61.89 1zts n ILE 108 Cb 0.26 0.10 0.45 0.00 -1.74 0.00 0.00 39.64 38.71 1zts n ILE 108 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1zts n LYS 109 N 0.60 0.14 0.02 6.28 4.81 0.59 -2.01 118.16 128.60 1zts n LYS 109 Ca 0.14 0.42 -0.03 0.00 -0.87 0.00 0.00 58.31 57.97 1zts n LYS 109 Cb 0.46 -1.80 -0.10 0.00 0.02 0.00 0.00 35.03 33.61 1zts n LYS 109 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1zts h ASP 110 N 0.00 0.00 -1.49 3.14 3.45 -1.79 -3.36 116.42 116.37 1zts h ASP 110 Ca 0.00 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1zts h ASP 110 Cb 0.28 0.00 -0.34 0.00 -0.56 0.00 0.00 39.33 38.71 1zts h ASP 110 CO 0.00 0.74 0.23 -1.22 -1.57 0.00 0.00 179.24 177.42 1zts n TYR 111 N -2.98 3.12 -3.61 4.55 4.01 -0.85 -4.93 117.16 116.47 1zts n TYR 111 Ca -0.11 -2.67 -0.40 0.00 -0.16 0.00 0.00 57.90 54.56 1zts n TYR 111 Cb 0.91 -0.79 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1zts s VAL 112 N -5.10 3.99 -0.39 -0.72 1.01 -1.21 -4.71 120.40 113.27 1zts s VAL 112 Ca 0.53 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.41 1zts s VAL 112 Cb 0.44 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1zts s VAL 112 CO -0.21 -0.76 0.52 1.17 0.00 0.00 0.00 175.10 175.82 1zts n LYS 113 N 4.80 -2.18 -0.55 2.72 3.00 -1.08 -4.99 118.16 119.88 1zts n LYS 113 Ca -0.06 1.84 -0.16 0.00 -0.00 0.00 0.00 58.31 59.93 1zts n LYS 113 Cb 0.41 -3.99 0.13 0.00 0.00 0.00 0.00 35.03 31.58 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zts n PRO 114 N -0.04 -2.17 -2.73 1.64 -0.04 -1.26 -5.03 135.00 125.37 1zts n PRO 114 Ca 0.02 -0.93 -0.14 0.00 -0.04 0.00 0.00 63.50 62.41 1zts n PRO 114 Cb 0.50 -0.88 0.01 0.00 -0.04 0.00 0.00 33.50 33.10 1zts n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zts n ALA 115 N -4.01 3.47 -3.85 0.55 0.00 -1.26 -5.00 120.51 110.40 1zts n ALA 115 Ca -0.11 -3.40 -0.29 0.00 0.00 0.00 0.00 53.44 49.64 1zts n ALA 115 Cb 0.32 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 1zts n ALA 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1zts s ASP 116 N -3.08 4.18 0.31 0.00 2.15 -1.26 -5.10 116.67 113.87 1zts s ASP 116 Ca 0.33 -3.22 0.00 0.00 0.43 0.00 0.00 52.55 50.09 1zts s ASP 116 Cb 0.43 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 1zts s ASP 116 CO -0.02 -0.19 0.00 -0.81 -0.17 0.00 0.00 175.17 173.99 1zts n PRO 117 N 2.80 0.37 -0.89 4.34 -0.04 -1.26 -4.79 135.00 135.54 1zts n PRO 117 Ca 0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1zts n PRO 117 Cb 0.34 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.71 1zts n PRO 117 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1zts n ASP 118 N -0.93 5.26 -0.00 3.54 4.64 -1.26 -3.93 116.55 123.86 1zts n ASP 118 Ca 0.00 -2.34 0.07 0.00 -1.38 0.00 0.00 54.79 51.13 1zts n ASP 118 Cb 0.00 -1.21 -0.09 0.00 -1.04 0.00 0.00 41.12 38.78 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zts n LEU 119 N 3.11 0.46 0.00 -2.67 -0.00 -1.26 -5.00 117.00 111.64 1zts n LEU 119 Ca 0.45 -0.35 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1zts n LEU 119 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 1zts n LEU 119 CO 0.40 0.11 0.00 -1.84 -0.00 0.00 0.00 177.39 176.07 1zts n GLU 120 N -1.53 -1.04 0.00 1.47 0.28 -1.25 -4.91 120.64 113.66 1zts n GLU 120 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1zts n GLU 120 Cb 0.27 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.14 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1zts n GLY 121 N 0.11 -3.21 1.42 -1.84 0.00 -1.26 -4.98 105.19 95.44 1zts n GLY 121 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1zts n GLY 121 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1zts n ILE 122 N -1.84 -3.89 -1.11 -0.61 5.41 -1.26 -4.71 119.36 111.34 1zts n ILE 122 Ca 0.00 1.79 -0.04 0.00 1.00 0.00 0.00 62.75 65.51 1zts n ILE 122 Cb 0.00 -2.63 -0.02 0.00 -0.71 0.00 0.00 39.64 36.28 1zts n ILE 122 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1zts n GLU 123 N -1.60 -1.31 -0.11 0.38 1.02 -1.26 -4.82 120.64 112.95 1zts n GLU 123 Ca 0.00 0.52 -0.19 0.00 -0.02 0.00 0.00 57.16 57.47 1zts n GLU 123 Cb 0.19 -4.60 -0.12 0.00 -0.02 0.00 0.00 31.44 26.89 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1zts n ALA 124 N 1.07 1.35 0.09 0.62 0.00 -1.26 -4.01 120.51 118.38 1zts n ALA 124 Ca -0.04 -1.03 -0.05 0.00 0.00 0.00 0.00 53.44 52.32 1zts n ALA 124 Cb 0.39 -0.17 0.11 0.00 0.00 0.00 0.00 19.45 19.77 1zts n ALA 124 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1zts h LYS 125 N -0.04 0.18 0.54 0.00 1.57 -1.99 -3.14 116.57 113.70 1zts h LYS 125 Ca -0.56 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.06 1zts h LYS 125 Cb 1.90 0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.24 1zts h LYS 125 CO -0.08 0.77 -0.26 0.28 -0.57 0.00 0.00 179.45 179.59 1zts h VAL 126 N 0.13 0.35 -0.90 0.50 2.07 -1.97 0.19 116.25 116.63 1zts h VAL 126 Ca -0.01 -0.35 0.25 0.00 0.82 0.00 0.00 66.70 67.41 1zts h VAL 126 Cb 1.17 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1zts h VAL 126 CO 0.10 0.04 0.63 0.08 0.02 0.00 0.00 177.57 178.45 1zts h ARG 127 N -0.98 0.07 0.00 1.57 0.11 -1.69 0.19 114.38 113.65 1zts h ARG 127 Ca -0.07 -0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 1zts h ARG 127 Cb 0.63 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 1zts h ARG 127 CO 0.12 0.05 -0.02 1.98 0.10 0.00 0.00 179.97 182.20 1zts h MET 128 N 0.08 0.00 -0.47 0.08 4.05 -1.46 -3.31 114.93 113.89 1zts h MET 128 Ca 0.44 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.99 1zts h MET 128 Cb 1.61 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.39 1zts h MET 128 CO -0.04 0.25 0.41 0.00 0.23 0.00 0.00 176.91 177.76 1zts h ARG 129 N -1.00 0.00 -2.08 0.39 3.08 -0.03 -1.98 114.38 112.76 1zts h ARG 129 Ca -0.00 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.34 1zts h ARG 129 Cb 0.27 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 29.98 1zts h ARG 129 CO -0.00 0.00 0.33 0.43 -1.07 0.00 0.00 179.97 179.66 1zts n SER 130 N -4.03 6.24 -4.48 7.04 7.64 0.62 -5.01 113.62 121.64 1zts n SER 130 Ca 0.09 -3.73 -0.28 0.00 1.01 0.00 0.00 58.87 55.95 1zts n SER 130 Cb 0.61 -0.88 -0.11 0.00 -1.01 0.00 0.00 64.21 62.83 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1zts s ILE 131 N -4.74 2.76 0.00 0.44 2.07 -0.75 -4.85 121.20 116.13 1zts s ILE 131 Ca 0.46 -1.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.03 1zts s ILE 131 Cb 0.30 -2.30 0.00 0.00 0.13 0.00 0.00 42.46 40.60 1zts s ILE 131 CO -0.21 0.01 0.82 0.18 -1.91 0.00 0.00 174.94 173.83 1zts n LEU 132 N 0.54 0.00 0.00 8.50 4.77 -1.26 -4.96 117.00 124.59 1zts n LEU 132 Ca -0.14 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1zts n LEU 132 Cb 0.54 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1zts n LEU 132 CO 0.29 -0.32 0.00 -0.62 -1.33 0.00 0.00 177.39 175.42 1zts n GLU 133 N -1.79 0.00 -4.19 3.23 1.02 -1.26 -5.11 120.64 112.53 1zts n GLU 133 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1zts n GLU 133 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1zts n GLU 133 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1zts s HIS 134 N -0.55 1.48 -0.26 -0.32 3.76 -1.26 -5.06 115.29 113.08 1zts s HIS 134 Ca 0.00 -1.52 0.11 0.00 -0.15 0.00 0.00 55.06 53.50 1zts s HIS 134 Cb 0.00 -0.42 0.54 0.00 1.11 0.00 0.00 32.58 33.80 1zts s HIS 134 CO 0.00 -1.02 1.50 1.58 -0.85 0.00 0.00 174.74 175.95 1zts n HIS 135 N -0.62 1.24 0.00 1.40 -0.00 -1.26 -4.79 115.22 111.20 1zts n HIS 135 Ca 0.05 -1.35 0.00 0.00 0.46 0.00 0.00 57.72 56.88 1zts n HIS 135 Cb 0.62 -0.47 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 1zts n HIS 135 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1zts n HIS 136 N -0.88 -1.85 -2.90 1.57 -0.00 -1.26 -5.14 115.22 104.75 1zts n HIS 136 Ca 0.31 0.02 -0.24 0.00 -0.00 0.00 0.00 57.72 57.81 1zts n HIS 136 Cb 1.05 0.54 0.01 0.00 -0.00 0.00 0.00 29.99 31.59 1zts n HIS 136 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1zts s HIS 137 N -1.02 3.31 0.06 4.41 0.09 -1.26 -5.12 115.29 115.76 1zts s HIS 137 Ca 0.00 0.38 0.01 0.00 -0.00 0.00 0.00 55.06 55.45 1zts s HIS 137 Cb 0.00 -2.32 -0.03 0.00 -0.00 0.00 0.00 32.58 30.23 1zts s HIS 137 CO 0.00 -0.35 -0.05 -1.01 -0.00 0.00 0.00 174.74 173.33 1zts s HIS 138 N -2.61 0.60 -2.00 1.40 0.09 -1.26 -4.19 115.29 107.31 1zts s HIS 138 Ca 0.48 -0.80 0.06 0.00 -0.00 0.00 0.00 55.06 54.80 1zts s HIS 138 Cb -0.10 -0.39 0.35 0.00 -0.00 0.00 0.00 32.58 32.44 1zts s HIS 138 CO 0.40 -0.22 0.82 1.58 -0.00 0.00 0.00 174.74 177.32