#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts n LEU 2 N 0.00 0.00 0.00 -0.89 4.32 -1.26 -4.99 117.00 114.18 1zts n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1zts n LEU 2 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1zts n LEU 2 CO 0.00 -0.34 0.00 -0.11 -1.22 0.00 0.00 177.39 175.72 1zts n LEU 3 N -2.03 0.00 -4.73 2.23 7.94 -1.26 -5.11 117.00 114.03 1zts n LEU 3 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 1zts n LEU 3 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 1zts n LEU 3 CO 0.00 0.00 0.67 0.27 -1.11 0.00 0.00 177.39 177.22 1zts s ILE 4 N 0.00 2.80 0.25 1.96 -4.36 -1.26 -5.06 121.20 115.52 1zts s ILE 4 Ca 0.00 0.26 0.09 0.00 -0.26 0.00 0.00 60.65 60.74 1zts s ILE 4 Cb 0.00 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.92 1zts s ILE 4 CO 0.00 -0.34 0.03 0.42 0.24 0.00 0.00 174.94 175.29 1zts s THR 5 N -2.93 3.67 -0.64 8.37 -4.23 -1.26 -5.01 115.64 113.60 1zts s THR 5 Ca 0.63 -1.74 0.20 0.00 -1.18 0.00 0.00 61.69 59.61 1zts s THR 5 Cb -0.18 -2.94 0.21 0.00 1.34 0.00 0.00 72.50 70.93 1zts s THR 5 CO 0.57 -0.32 1.63 -0.81 -0.54 0.00 0.00 174.62 175.14 1zts n PRO 6 N -0.80 0.13 0.07 3.99 -0.04 -1.26 -2.45 135.00 134.64 1zts n PRO 6 Ca -0.07 0.37 -0.06 0.00 -0.04 0.00 0.00 63.50 63.70 1zts n PRO 6 Cb 0.58 -1.75 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 1zts n PRO 6 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zts h ASP 7 N 0.00 0.00 0.62 3.54 3.45 -1.95 -3.25 116.42 118.83 1zts h ASP 7 Ca 0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 1zts h ASP 7 Cb 0.32 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 1zts h ASP 7 CO 0.00 0.95 -0.69 -0.33 -1.57 0.00 0.00 179.24 177.60 1zts h GLU 8 N 0.00 0.06 0.11 3.56 4.39 -1.90 -2.30 114.58 118.50 1zts h GLU 8 Ca -0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1zts h GLU 8 Cb 1.69 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 1zts h GLU 8 CO 0.12 0.73 -0.05 1.25 -1.16 0.00 0.00 179.01 179.90 1zts h LEU 9 N 0.04 -0.13 -0.90 1.33 5.85 -1.61 0.26 115.31 120.16 1zts h LEU 9 Ca -0.01 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1zts h LEU 9 Cb 1.23 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1zts h LEU 9 CO 0.10 -0.05 -0.49 0.07 -0.34 0.00 0.00 178.44 177.73 1zts h LYS 10 N -0.20 0.00 -0.03 1.25 5.09 -1.63 0.32 116.57 121.37 1zts h LYS 10 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.55 1zts h LYS 10 Cb 0.16 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.48 1zts h LYS 10 CO 0.03 0.49 -0.75 1.03 -2.09 0.00 0.00 179.45 178.15 1zts h SER 11 N 0.00 0.28 0.01 7.07 0.87 -1.10 -3.34 113.55 117.34 1zts h SER 11 Ca -0.00 -0.19 -0.23 0.00 -1.23 0.00 0.00 61.79 60.14 1zts h SER 11 Cb 0.96 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.81 1zts h SER 11 CO 0.06 0.93 -1.24 0.22 -0.53 0.00 0.00 176.83 176.28 1zts h TYR 12 N 0.15 0.03 -4.24 2.24 5.03 -0.35 -3.48 116.97 116.36 1zts h TYR 12 Ca -0.03 -0.02 -0.52 0.00 2.58 0.00 0.00 58.73 60.74 1zts h TYR 12 Cb 1.33 -0.00 0.14 0.00 1.55 0.00 0.00 36.73 39.75 1zts h TYR 12 CO 0.03 1.48 0.33 0.45 -1.32 0.00 0.00 178.16 179.13 1zts s SER 13 N -6.84 4.26 -0.02 -2.11 0.15 0.11 -4.97 113.70 104.29 1zts s SER 13 Ca -0.28 2.09 0.13 0.00 0.70 0.00 0.00 55.95 58.59 1zts s SER 13 Cb 0.05 -2.56 -0.21 0.00 -1.71 0.00 0.00 66.02 61.60 1zts s SER 13 CO 0.61 -2.20 0.29 1.33 1.20 0.00 0.00 173.24 174.46 1zts n VAL 14 N -3.15 0.01 -1.65 4.45 0.24 -1.26 -4.79 118.33 112.18 1zts n VAL 14 Ca 0.11 -0.31 -0.50 0.00 -2.04 0.00 0.00 64.34 61.60 1zts n VAL 14 Cb 0.52 0.18 -0.05 0.00 -1.47 0.00 0.00 33.84 33.02 1zts n VAL 14 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1zts n PHE 15 N -1.97 2.01 0.20 6.34 3.01 -1.26 -4.85 117.46 120.95 1zts n PHE 15 Ca -0.03 0.37 0.06 0.00 1.01 0.00 0.00 57.45 58.86 1zts n PHE 15 Cb 0.36 -2.49 0.42 0.00 -0.01 0.00 0.00 39.48 37.76 1zts n PHE 15 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1zts h GLU 16 N 6.32 0.00 0.07 -1.08 4.11 -1.99 -2.87 114.58 119.14 1zts h GLU 16 Ca -0.47 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.96 1zts h GLU 16 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1zts h GLU 16 CO 0.88 0.33 -0.04 1.03 0.07 0.00 0.00 179.01 181.28 1zts h SER 17 N 0.00 -0.08 -0.68 3.06 0.87 -1.93 0.25 113.55 115.03 1zts h SER 17 Ca -0.00 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.27 1zts h SER 17 Cb 0.70 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1zts h SER 17 CO 0.04 0.26 0.45 0.58 -0.53 0.00 0.00 176.83 177.63 1zts h VAL 18 N -0.44 1.17 0.00 2.23 2.07 -1.74 -0.11 116.25 119.43 1zts h VAL 18 Ca -0.01 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 1zts h VAL 18 Cb 0.38 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1zts h VAL 18 CO 0.02 0.17 -0.00 0.11 0.02 0.00 0.00 177.57 177.88 1zts h LYS 19 N 0.92 -0.00 -0.73 1.57 1.57 -1.43 -3.30 116.57 115.17 1zts h LYS 19 Ca 0.25 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1zts h LYS 19 Cb -0.10 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.15 1zts h LYS 19 CO -0.06 0.70 0.41 1.79 -0.57 0.00 0.00 179.45 181.72 1zts h THR 20 N -0.71 0.97 -3.28 -0.16 1.35 -0.31 -3.43 112.91 107.33 1zts h THR 20 Ca -0.00 -0.26 -0.56 0.00 -0.55 0.00 0.00 66.41 65.05 1zts h THR 20 Cb 0.70 0.15 0.19 0.00 -1.73 0.00 0.00 68.15 67.46 1zts h THR 20 CO 0.00 0.14 -0.38 -2.11 -0.25 0.00 0.00 175.52 172.92 1zts n ARG 21 N -4.75 0.25 -1.99 4.72 1.85 -0.07 -4.94 116.66 111.73 1zts n ARG 21 Ca 0.10 0.13 -0.34 0.00 -1.00 0.00 0.00 57.85 56.74 1zts n ARG 21 Cb 0.19 -1.86 0.03 0.00 -1.05 0.00 0.00 32.46 29.77 1zts n ARG 21 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1zts s PRO 22 N -2.90 3.06 0.16 2.89 0.04 -1.26 -4.92 135.00 132.07 1zts s PRO 22 Ca 0.65 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 1zts s PRO 22 Cb -0.33 -1.98 0.04 0.00 0.04 0.00 0.00 34.50 32.27 1zts s PRO 22 CO 0.58 -1.06 1.64 -0.44 0.04 0.00 0.00 177.00 177.77 1zts h ASP 23 N 0.57 0.87 -0.61 6.66 3.32 -1.92 -2.22 116.42 123.08 1zts h ASP 23 Ca -0.48 -0.27 0.18 0.00 0.02 0.00 0.00 57.03 56.48 1zts h ASP 23 Cb 1.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 1zts h ASP 23 CO 0.55 0.92 0.50 1.05 -1.72 0.00 0.00 179.24 180.54 1zts h GLU 24 N 0.79 0.00 0.03 3.56 4.11 -1.99 0.14 114.58 121.21 1zts h GLU 24 Ca 0.16 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.30 1zts h GLU 24 Cb 0.42 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1zts h GLU 24 CO 0.01 0.00 -1.63 -0.07 0.07 0.00 0.00 179.01 177.39 1zts h LEU 25 N 0.00 0.09 -0.74 3.06 3.38 -1.84 -3.36 115.31 115.90 1zts h LEU 25 Ca 0.29 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1zts h LEU 25 Cb 1.29 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.93 1zts h LEU 25 CO -0.00 1.15 0.35 -0.07 0.09 0.00 0.00 178.44 179.96 1zts h LEU 26 N 0.02 0.43 0.09 1.67 3.38 -0.15 -2.05 115.31 118.71 1zts h LEU 26 Ca -0.26 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1zts h LEU 26 Cb 1.98 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1zts h LEU 26 CO 0.10 0.23 -0.15 0.11 0.09 0.00 0.00 178.44 178.81 1zts h LYS 27 N 0.57 -0.28 -0.52 1.13 1.57 -1.65 -1.03 116.57 116.36 1zts h LYS 27 Ca 0.38 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.33 1zts h LYS 27 Cb 0.46 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1zts h LYS 27 CO -0.31 -0.19 0.38 1.96 -0.57 0.00 0.00 179.45 180.72 1zts h GLN 28 N -0.30 0.00 0.01 3.15 4.20 -1.55 0.21 115.11 120.83 1zts h GLN 28 Ca 0.02 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.54 1zts h GLN 28 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1zts h GLN 28 CO -0.08 0.00 -0.89 -0.44 -0.67 0.00 0.00 178.83 176.75 1zts h ASP 29 N 0.00 0.11 0.01 1.46 3.32 -0.63 -2.42 116.42 118.27 1zts h ASP 29 Ca 0.25 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1zts h ASP 29 Cb 1.00 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1zts h ASP 29 CO -0.00 0.94 -0.01 0.40 -1.72 0.00 0.00 179.24 178.85 1zts h ILE 30 N 0.04 1.53 0.00 0.35 2.04 0.52 -2.66 117.51 119.33 1zts h ILE 30 Ca -0.03 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 63.83 1zts h ILE 30 Cb 1.54 2.80 -0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1zts h ILE 30 CO 0.12 0.49 -0.12 -0.07 0.00 0.00 0.00 178.15 178.57 1zts h LEU 31 N -0.92 0.00 -0.03 1.44 3.38 -0.99 -1.39 115.31 116.80 1zts h LEU 31 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zts h LEU 31 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1zts h LEU 31 CO 0.00 0.12 -0.46 -0.08 0.09 0.00 0.00 178.44 178.11 1zts h GLU 32 N 0.00 0.00 0.03 1.13 4.57 -1.51 -3.28 114.58 115.52 1zts h GLU 32 Ca -0.00 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.91 1zts h GLU 32 Cb 0.25 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1zts h GLU 32 CO 0.02 0.46 -1.08 0.00 -1.18 0.00 0.00 179.01 177.23 1zts h ALA 33 N 1.54 0.15 -0.09 2.92 0.00 -0.89 -3.17 119.26 119.72 1zts h ALA 33 Ca -0.00 -0.73 0.02 0.00 0.00 0.00 0.00 54.91 54.21 1zts h ALA 33 Cb 1.34 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1zts h ALA 33 CO 0.06 0.73 0.19 0.00 0.00 0.00 0.00 179.25 180.23 1zts h THR 34 N 0.32 0.20 0.00 0.00 1.03 -1.49 0.57 112.91 113.54 1zts h THR 34 Ca -0.13 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.22 1zts h THR 34 Cb 1.73 0.83 -0.01 0.00 -1.07 0.00 0.00 68.15 69.63 1zts h THR 34 CO 0.20 0.00 -0.24 0.00 -0.01 0.00 0.00 175.52 175.47 1zts h ALA 35 N 1.69 1.54 0.04 0.00 0.00 -1.67 -1.16 119.26 119.70 1zts h ALA 35 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zts h ALA 35 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1zts h ALA 35 CO -0.00 0.30 -0.02 0.22 0.00 0.00 0.00 179.25 179.76 1zts h ASP 36 N 0.00 -0.04 0.11 0.00 -0.00 -1.06 -2.85 116.42 112.57 1zts h ASP 36 Ca -0.00 -0.64 0.01 0.00 -0.00 0.00 0.00 57.03 56.39 1zts h ASP 36 Cb 0.45 0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.77 1zts h ASP 36 CO 0.03 0.72 -0.14 0.40 -0.00 0.00 0.00 179.24 180.26 1zts h ILE 37 N -0.90 0.69 -0.67 2.25 2.04 -1.53 -2.13 117.51 117.26 1zts h ILE 37 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1zts h ILE 37 Cb 0.68 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1zts h ILE 37 CO 0.01 0.00 0.44 0.40 0.00 0.00 0.00 178.15 179.00 1zts h ILE 38 N -0.28 0.92 0.00 -0.67 2.04 -1.36 0.14 117.51 118.30 1zts h ILE 38 Ca 0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1zts h ILE 38 Cb 0.28 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1zts h ILE 38 CO -0.06 0.10 -0.06 -0.07 0.00 0.00 0.00 178.15 178.06 1zts h LEU 39 N 0.54 0.00 0.06 1.44 3.38 -1.14 0.26 115.31 119.86 1zts h LEU 39 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1zts h LEU 39 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1zts h LEU 39 CO -0.10 0.06 -0.78 0.11 0.09 0.00 0.00 178.44 177.82 1zts h LYS 40 N 0.00 0.13 0.00 1.13 1.57 -0.50 -3.33 116.57 115.58 1zts h LYS 40 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1zts h LYS 40 Cb 0.25 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1zts h LYS 40 CO 0.01 1.11 0.00 -0.39 -0.57 0.00 0.00 179.45 179.60 1zts h VAL 41 N -0.68 0.00 -2.75 0.50 -1.51 -1.23 -3.46 116.25 107.13 1zts h VAL 41 Ca -0.17 -0.58 -0.23 0.00 -1.23 0.00 0.00 66.70 64.48 1zts h VAL 41 Cb 1.39 1.53 0.03 0.00 -2.13 0.00 0.00 31.29 32.12 1zts h VAL 41 CO 0.01 0.00 -0.35 0.61 -1.23 0.00 0.00 177.57 176.61 1zts n GLY 42 N 0.60 -0.01 3.64 5.19 0.00 0.91 -4.18 105.19 111.34 1zts n GLY 42 Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.89 -0.23 0.00 1.61 -3.43 -1.09 -5.05 115.29 104.20 1zts s HIS 43 Ca 0.17 0.54 0.00 0.00 -0.80 0.00 0.00 55.06 54.97 1zts s HIS 43 Cb -0.07 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.49 1zts s HIS 43 CO 0.21 -0.11 0.00 -0.40 -2.00 0.00 0.00 174.74 172.44 1zts n ASP 44 N 1.98 0.30 -2.90 7.38 3.85 -1.26 -4.71 116.55 121.19 1zts n ASP 44 Ca -0.12 -0.99 -0.22 0.00 -0.71 0.00 0.00 54.79 52.75 1zts n ASP 44 Cb 0.56 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.31 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1zts n PHE 45 N -0.84 2.40 0.04 2.11 3.01 -1.26 -4.86 117.46 118.05 1zts n PHE 45 Ca 0.00 -3.64 -0.21 0.00 1.01 0.00 0.00 57.45 54.61 1zts n PHE 45 Cb 0.00 -0.38 -0.14 0.00 -0.01 0.00 0.00 39.48 38.94 1zts n PHE 45 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1zts h SER 46 N 2.92 0.45 -1.53 4.37 0.02 -1.95 -3.44 113.55 114.40 1zts h SER 46 Ca 0.12 -0.91 -0.67 0.00 -0.84 0.00 0.00 61.79 59.49 1zts h SER 46 Cb 0.80 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1zts h SER 46 CO 0.69 1.50 1.19 0.47 -1.14 0.00 0.00 176.83 179.54 1zts n ASP 47 N -4.03 2.65 0.31 3.07 9.92 -1.26 -4.79 116.55 122.42 1zts n ASP 47 Ca -0.19 0.75 0.19 0.00 -0.53 0.00 0.00 54.79 55.02 1zts n ASP 47 Cb 0.87 -1.27 1.04 0.00 -0.64 0.00 0.00 41.12 41.11 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 10.16 1.28 -0.64 2.24 0.00 -2.02 0.52 119.26 130.81 1zts h ALA 48 Ca -0.39 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 1zts h ALA 48 Cb 1.30 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1zts h ALA 48 CO 0.98 -0.11 0.30 -0.85 0.00 0.00 0.00 179.25 179.57 1zts n GLU 49 N -3.29 2.84 -2.68 0.00 0.28 -1.26 -4.38 120.64 112.14 1zts n GLU 49 Ca -0.02 -2.39 -0.05 0.00 -0.16 0.00 0.00 57.16 54.55 1zts n GLU 49 Cb 0.17 -1.99 0.11 0.00 1.43 0.00 0.00 31.44 31.15 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1zts n TYR 50 N -0.25 -1.09 -3.35 -1.84 -0.00 0.17 -5.07 117.16 105.72 1zts n TYR 50 Ca 0.36 -1.10 -0.31 0.00 -0.00 0.00 0.00 57.90 56.85 1zts n TYR 50 Cb 1.24 1.29 -0.06 0.00 -0.00 0.00 0.00 39.34 41.81 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 1zts n ILE 51 N 0.55 3.07 -2.26 2.97 5.41 -1.22 -4.61 119.36 123.27 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 0.74 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 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 -2.47 3.41 -0.48 0.38 0.04 -1.26 -5.03 135.00 129.59 1zts s PRO 52 Ca 0.37 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.10 1zts s PRO 52 Cb 0.11 -2.06 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1zts s PRO 52 CO 0.00 -0.81 0.63 -0.11 0.04 0.00 0.00 177.00 176.76 1zts n LEU 53 N -1.20 -2.36 0.00 -3.56 7.94 -1.26 -5.06 117.00 111.51 1zts n LEU 53 Ca 0.11 -3.48 -0.01 0.00 -1.11 0.00 0.00 56.01 51.52 1zts n LEU 53 Cb 0.51 0.71 0.01 0.00 0.53 0.00 0.00 43.42 45.17 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 2.64 -1.09 0.13 1.96 -0.04 -1.26 -4.89 135.00 132.46 1zts n PRO 54 Ca 0.20 -0.05 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 1zts n PRO 54 Cb 0.55 -0.05 0.04 0.00 -0.04 0.00 0.00 33.50 34.00 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 -3.25 114.58 114.67 1zts h GLU 55 Ca -0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1zts h GLU 55 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1zts h GLU 55 CO 0.01 0.19 -0.15 1.79 -0.73 0.00 0.00 179.01 180.12 1zts h THR 56 N 0.00 1.55 -0.31 0.32 1.35 -1.93 -3.14 112.91 110.74 1zts h THR 56 Ca -0.03 -1.82 0.02 0.00 -0.55 0.00 0.00 66.41 64.03 1zts h THR 56 Cb 1.21 2.71 -0.03 0.00 -1.73 0.00 0.00 68.15 70.31 1zts h THR 56 CO 0.03 0.49 0.16 0.58 -0.25 0.00 0.00 175.52 176.52 1zts h VAL 57 N -0.56 0.99 -0.76 6.82 2.07 -1.82 0.16 116.25 123.15 1zts h VAL 57 Ca -0.02 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.53 1zts h VAL 57 Cb 0.88 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 1zts h VAL 57 CO 0.03 0.06 0.32 -0.09 0.02 0.00 0.00 177.57 177.91 1zts h ARG 58 N 0.33 0.47 -0.07 1.57 2.43 -1.66 -0.01 114.38 117.44 1zts h ARG 58 Ca 0.13 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1zts h ARG 58 Cb 0.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1zts h ARG 58 CO -0.09 0.31 -0.30 1.25 -1.51 0.00 0.00 179.97 179.63 1zts h LEU 59 N 0.48 0.39 -0.69 3.80 5.85 -1.39 -2.07 115.31 121.67 1zts h LEU 59 Ca 0.41 -0.64 0.13 0.00 0.84 0.00 0.00 57.88 58.62 1zts h LEU 59 Cb 0.60 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1zts h LEU 59 CO -0.38 0.96 0.23 0.00 -0.34 0.00 0.00 178.44 178.92 1zts h ALA 60 N 0.43 0.92 -0.29 1.25 0.00 0.03 -0.58 119.26 121.02 1zts h ALA 60 Ca -0.02 0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1zts h ALA 60 Cb 0.95 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1zts h ALA 60 CO 0.06 -0.24 -0.55 1.25 0.00 0.00 0.00 179.25 179.77 1zts h LEU 61 N 0.38 0.98 -1.41 0.00 7.12 -1.07 -2.75 115.31 118.56 1zts h LEU 61 Ca 0.37 -0.54 0.08 0.00 0.13 0.00 0.00 57.88 57.93 1zts h LEU 61 Cb 0.56 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.36 1zts h LEU 61 CO -0.40 1.33 0.48 -0.07 -0.13 0.00 0.00 178.44 179.65 1zts h LEU 62 N 0.67 0.61 -0.13 2.25 3.38 -0.50 0.26 115.31 121.85 1zts h LEU 62 Ca 0.01 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1zts h LEU 62 Cb 1.17 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1zts h LEU 62 CO 0.12 0.38 -0.52 0.11 0.09 0.00 0.00 178.44 178.62 1zts h LYS 63 N 0.69 0.59 -0.38 1.13 1.79 -1.08 -3.15 116.57 116.16 1zts h LYS 63 Ca 0.32 -0.46 -0.10 0.00 -2.18 0.00 0.00 60.65 58.23 1zts h LYS 63 Cb 0.36 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1zts h LYS 63 CO -0.11 1.08 -0.19 -0.07 -1.08 0.00 0.00 179.45 179.07 1zts h LEU 64 N 0.22 0.73 -1.03 2.94 3.38 -1.06 -2.81 115.31 117.68 1zts h LEU 64 Ca -0.03 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1zts h LEU 64 Cb 1.16 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1zts h LEU 64 CO 0.11 0.92 0.64 -1.28 0.09 0.00 0.00 178.44 178.91 1zts h SER 65 N 0.64 1.01 -0.36 -0.43 0.87 -0.53 -1.66 113.55 113.08 1zts h SER 65 Ca 0.10 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1zts h SER 65 Cb 0.68 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1zts h SER 65 CO 0.05 0.63 -0.32 -0.61 -0.53 0.00 0.00 176.83 176.05 1zts h GLN 66 N 1.13 0.85 -0.23 2.24 -0.00 -1.47 0.10 115.11 117.73 1zts h GLN 66 Ca 0.44 -0.43 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1zts h GLN 66 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.68 1zts h GLN 66 CO -0.18 1.07 0.06 0.35 0.00 0.00 0.00 178.83 180.13 1zts h PHE 67 N 0.64 0.10 0.05 3.99 3.57 -1.11 0.63 116.94 124.81 1zts h PHE 67 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1zts h PHE 67 Cb 0.90 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1zts h PHE 67 CO 0.07 0.04 -0.02 1.88 -2.23 0.00 0.00 178.31 178.04 1zts h TYR 68 N 0.15 -0.06 -0.53 0.41 0.05 -1.33 -2.88 116.97 112.77 1zts h TYR 68 Ca 0.10 -0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.03 1zts h TYR 68 Cb 0.09 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1zts h TYR 68 CO -0.14 0.51 0.45 0.00 -1.05 0.00 0.00 178.16 177.93 1zts h ALA 69 N 0.15 2.36 -0.01 3.88 0.00 -0.74 0.13 119.26 125.03 1zts h ALA 69 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1zts h ALA 69 Cb 0.61 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1zts h ALA 69 CO 0.01 -0.72 -0.11 1.25 0.00 0.00 0.00 179.25 179.68 1zts h LEU 70 N 0.00 0.12 -3.53 0.00 5.85 -0.84 -3.26 115.31 113.66 1zts h LEU 70 Ca 0.25 -0.71 -0.38 0.00 0.84 0.00 0.00 57.88 57.88 1zts h LEU 70 Cb 1.14 -0.04 -0.23 0.00 0.37 0.00 0.00 40.66 41.91 1zts h LEU 70 CO -0.00 0.81 0.49 2.30 -0.34 0.00 0.00 178.44 181.70 1zts n ILE 71 N -4.64 2.69 -0.02 4.05 -5.35 -0.46 -3.21 119.36 112.42 1zts n ILE 71 Ca -0.09 -1.47 -0.01 0.00 -0.27 0.00 0.00 62.75 60.90 1zts n ILE 71 Cb 0.41 -0.57 -0.05 0.00 -1.74 0.00 0.00 39.64 37.69 1zts n ILE 71 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1zts n ASN 72 N -0.72 3.43 0.00 7.28 4.13 0.33 -4.75 115.26 124.96 1zts n ASN 72 Ca 0.45 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.71 1zts n ASN 72 Cb 1.40 0.87 0.00 0.00 -1.54 0.00 0.00 39.78 40.51 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zts n GLY 73 N 2.44 0.07 3.63 7.41 0.00 -1.25 -5.04 105.19 112.45 1zts n GLY 73 Ca -0.07 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.43 2.37 -2.14 1.61 4.64 -1.20 -4.86 116.55 115.55 1zts n ASP 74 Ca 0.00 1.10 -0.25 0.00 -1.38 0.00 0.00 54.79 54.26 1zts n ASP 74 Cb 0.00 -1.31 0.05 0.00 -1.04 0.00 0.00 41.12 38.81 1zts n ASP 74 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 1zts n GLU 75 N 2.90 2.21 -0.88 -0.67 2.13 -1.26 -3.93 120.64 121.15 1zts n GLU 75 Ca 0.17 -2.34 -0.01 0.00 0.66 0.00 0.00 57.16 55.64 1zts n GLU 75 Cb 0.24 -1.93 -0.02 0.00 0.27 0.00 0.00 31.44 30.01 1zts n GLU 75 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1zts n SER 76 N -0.13 -0.06 -3.91 4.31 2.88 -1.26 -5.11 113.62 110.33 1zts n SER 76 Ca 0.45 -1.73 -0.11 0.00 -1.33 0.00 0.00 58.87 56.15 1zts n SER 76 Cb 0.59 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.05 -0.19 2.46 1.01 -1.25 -3.40 121.20 119.87 1zts s ILE 77 Ca 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 1zts s ILE 77 Cb 0.09 -0.15 0.05 0.00 0.01 0.00 0.00 42.46 42.46 1zts s ILE 77 CO -0.04 -0.23 -0.05 -0.63 0.00 0.00 0.00 174.94 173.99 1zts s ILE 78 N -0.68 1.27 -1.04 2.92 1.09 -1.26 -5.01 121.20 118.49 1zts s ILE 78 Ca -0.08 -0.86 -0.24 0.00 -1.10 0.00 0.00 60.65 58.38 1zts s ILE 78 Cb -0.05 -1.49 -0.07 0.00 -1.06 0.00 0.00 42.46 39.80 1zts s ILE 78 CO -0.00 0.04 1.95 -1.59 -0.10 0.00 0.00 174.94 175.24 1zts s LYS 79 N 1.54 2.49 1.78 2.79 -2.85 -1.26 -3.58 119.74 120.66 1zts s LYS 79 Ca -0.02 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1zts s LYS 79 Cb -0.17 -5.15 0.00 0.00 -2.06 0.00 0.00 37.83 30.46 1zts s LYS 79 CO -0.07 -3.73 0.00 0.41 0.10 0.00 0.00 175.35 172.06 1zts n GLY 80 N 6.32 0.92 1.36 0.59 0.00 -1.26 -3.64 105.19 109.47 1zts n GLY 80 Ca 0.43 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.91 1zts n GLY 80 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1zts n TYR 81 N 0.00 -0.88 -3.82 1.61 0.18 -1.26 -5.03 117.16 107.96 1zts n TYR 81 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 1zts n TYR 81 Cb 0.00 0.34 -0.01 0.00 -0.38 0.00 0.00 39.34 39.29 1zts n TYR 81 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 1zts n THR 82 N -2.18 0.00 -1.20 -3.48 5.66 -1.24 -5.14 114.28 106.70 1zts n THR 82 Ca 0.00 -0.64 0.11 0.00 -3.05 0.00 0.00 64.05 60.47 1zts n THR 82 Cb 0.00 0.37 -0.06 0.00 -1.55 0.00 0.00 70.33 69.09 1zts n THR 82 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1zts n THR 83 N -0.19 -1.19 -0.05 1.09 -1.04 -1.26 -4.93 114.28 106.71 1zts n THR 83 Ca 0.01 0.89 -0.01 0.00 -2.04 0.00 0.00 64.05 62.90 1zts n THR 83 Cb 0.19 -1.39 0.01 0.00 -1.82 0.00 0.00 70.33 67.32 1zts n THR 83 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1zts n GLU 84 N -3.53 -1.98 -2.24 -2.82 1.02 -1.26 -4.88 120.64 104.96 1zts n GLU 84 Ca -0.06 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1zts n GLU 84 Cb 0.52 -0.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 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 -3.05 4.26 0.04 3.49 0.00 -1.26 -5.01 119.74 118.21 1zts s LYS 85 Ca 0.01 1.93 0.05 0.00 0.00 0.00 0.00 55.97 57.96 1zts s LYS 85 Cb -0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 37.83 34.11 1zts s LYS 85 CO 0.01 -0.65 -0.15 0.42 0.00 0.00 0.00 175.35 174.99 1zts s ILE 86 N 2.93 1.16 -0.79 3.79 1.01 -1.26 -5.08 121.20 122.96 1zts s ILE 86 Ca 0.63 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 60.04 1zts s ILE 86 Cb -0.29 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 1zts s ILE 86 CO 0.24 0.04 1.89 -0.83 0.00 0.00 0.00 174.94 176.29 1zts s GLY 87 N -1.08 0.22 0.00 6.18 0.00 -1.26 -4.80 107.32 106.58 1zts s GLY 87 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1zts s GLY 87 CO 0.01 3.43 0.00 1.34 0.00 0.00 0.00 173.10 177.89 1zts n ASP 88 N 13.34 0.00 -4.54 1.64 2.03 -1.26 -5.08 116.55 122.67 1zts n ASP 88 Ca 0.32 -0.97 -0.35 0.00 0.52 0.00 0.00 54.79 54.31 1zts n ASP 88 Cb 0.49 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.84 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1zts n TYR 89 N 0.00 1.30 -3.64 -0.67 4.02 -1.26 -4.76 117.16 112.15 1zts n TYR 89 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1zts n TYR 89 Cb 0.00 -2.59 0.00 0.00 -0.02 0.00 0.00 39.34 36.73 1zts n TYR 89 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1zts n SER 90 N 15.51 0.00 -2.97 7.72 3.41 -1.26 -4.46 113.62 131.57 1zts n SER 90 Ca 0.41 -0.90 -0.13 0.00 -0.26 0.00 0.00 58.87 57.99 1zts n SER 90 Cb 0.48 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1zts n TYR 91 N 0.00 -1.89 -2.82 7.33 4.01 -1.23 -4.75 117.16 117.81 1zts n TYR 91 Ca 0.00 0.74 -0.43 0.00 -0.16 0.00 0.00 57.90 58.05 1zts n TYR 91 Cb 0.00 -4.24 -0.03 0.00 -0.31 0.00 0.00 39.34 34.76 1zts n TYR 91 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1zts s THR 92 N -3.31 4.36 0.99 -0.72 2.01 -1.25 -3.68 115.64 114.04 1zts s THR 92 Ca 0.16 -0.76 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 1zts s THR 92 Cb -0.02 -4.79 0.18 0.00 0.01 0.00 0.00 72.50 67.88 1zts s THR 92 CO 0.60 -1.57 1.08 0.18 -0.69 0.00 0.00 174.62 174.22 1zts n LEU 93 N 7.61 2.03 0.27 4.42 4.77 -1.15 -4.24 117.00 130.70 1zts n LEU 93 Ca 0.11 0.27 0.18 0.00 -0.03 0.00 0.00 56.01 56.54 1zts n LEU 93 Cb 0.48 -1.41 0.95 0.00 -2.33 0.00 0.00 43.42 41.10 1zts n LEU 93 CO 0.60 -2.49 1.04 1.23 -1.33 0.00 0.00 177.39 176.45 1zts h GLY 94 N -2.09 0.00 -3.15 -0.72 0.00 -1.91 -0.73 103.07 94.47 1zts h GLY 94 Ca -0.48 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 1zts h GLY 94 CO 0.43 0.00 0.17 1.22 0.00 0.00 0.00 176.54 178.35 1zts n ASP 95 N -2.78 4.28 -2.23 0.19 8.00 -1.26 -4.88 116.55 117.87 1zts n ASP 95 Ca -0.02 -2.88 -0.13 0.00 0.71 0.00 0.00 54.79 52.47 1zts n ASP 95 Cb 0.09 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 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 0.07 -0.16 3.70 0.44 0.00 -0.28 -4.92 105.19 104.03 1zts n GLY 96 Ca 0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.04 6.19 -1.27 1.61 0.01 -1.26 -4.92 113.70 112.03 1zts s SER 97 Ca 0.00 0.21 -0.17 0.00 1.31 0.00 0.00 55.95 57.29 1zts s SER 97 Cb 0.00 -2.10 0.09 0.00 0.21 0.00 0.00 66.02 64.21 1zts s SER 97 CO 0.00 0.13 1.67 -0.44 0.41 0.00 0.00 173.24 175.01 1zts s SER 98 N 0.64 6.86 -0.57 2.44 0.01 -1.26 -2.95 113.70 118.86 1zts s SER 98 Ca 0.09 -2.50 -0.30 0.00 1.31 0.00 0.00 55.95 54.55 1zts s SER 98 Cb -0.12 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.44 1zts s SER 98 CO 0.01 -1.11 2.42 -0.11 0.41 0.00 0.00 173.24 174.86 1zts n LEU 99 N 7.94 1.75 -4.90 2.44 7.94 -1.24 -4.92 117.00 126.02 1zts n LEU 99 Ca 0.46 -0.03 -0.29 0.00 -1.11 0.00 0.00 56.01 55.04 1zts n LEU 99 Cb 0.46 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.06 1zts n LEU 99 CO 0.74 -1.07 0.22 -1.58 -1.11 0.00 0.00 177.39 174.59 1zts s GLN 100 N 7.80 3.65 0.84 1.96 2.00 -1.26 -4.95 119.66 129.70 1zts s GLN 100 Ca 1.12 0.05 -0.10 0.00 -2.00 0.00 0.00 55.36 54.43 1zts s GLN 100 Cb -0.67 -2.63 0.10 0.00 0.80 0.00 0.00 33.01 30.60 1zts s GLN 100 CO 0.39 0.21 1.12 0.15 -0.50 0.00 0.00 175.29 176.66 1zts s LYS 101 N -3.50 1.66 0.65 1.67 1.02 -1.26 -4.99 119.74 114.98 1zts s LYS 101 Ca 0.45 1.35 -0.15 0.00 0.02 0.00 0.00 55.97 57.63 1zts s LYS 101 Cb -0.11 -1.82 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1zts s LYS 101 CO 0.29 -2.12 1.11 -1.25 -0.92 0.00 0.00 175.35 172.46 1zts s PRO 102 N -4.78 2.86 -1.25 -1.68 0.04 -1.26 -4.95 135.00 123.97 1zts s PRO 102 Ca 0.64 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.96 1zts s PRO 102 Cb -0.20 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.54 1zts s PRO 102 CO 0.57 -1.21 1.65 -3.47 0.04 0.00 0.00 177.00 174.58 1zts n ASP 103 N -2.31 5.10 -1.91 6.66 -0.08 -1.26 -4.72 116.55 118.03 1zts n ASP 103 Ca 0.10 -3.02 -0.01 0.00 -1.51 0.00 0.00 54.79 50.36 1zts n ASP 103 Cb 0.52 -1.55 0.33 0.00 2.34 0.00 0.00 41.12 42.76 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1zts n VAL 104 N 4.28 2.74 -0.06 5.18 0.24 -1.26 -4.43 118.33 125.02 1zts n VAL 104 Ca 0.39 -1.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.10 1zts n VAL 104 Cb 0.40 -0.35 -0.06 0.00 -1.47 0.00 0.00 33.84 32.36 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 3.06 0.69 0.00 6.34 5.03 -1.99 -2.85 116.97 127.26 1zts h TYR 105 Ca 0.15 -0.24 -0.06 0.00 2.58 0.00 0.00 58.73 61.16 1zts h TYR 105 Cb 2.13 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 40.27 1zts h TYR 105 CO 1.16 0.97 -0.28 0.00 -1.32 0.00 0.00 178.16 178.70 1zts h ALA 106 N 0.60 1.04 0.20 1.82 0.00 -1.99 -1.73 119.26 119.19 1zts h ALA 106 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1zts h ALA 106 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1zts h ALA 106 CO 0.07 0.35 -0.09 -0.07 0.00 0.00 0.00 179.25 179.51 1zts h LEU 107 N 0.00 -0.22 -0.19 0.00 3.38 -1.82 -3.05 115.31 113.41 1zts h LEU 107 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1zts h LEU 107 Cb 0.77 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1zts h LEU 107 CO 0.04 0.18 0.00 2.30 0.09 0.00 0.00 178.44 181.05 1zts n ILE 108 N -5.03 0.00 0.24 1.22 -5.35 -1.08 -3.79 119.36 105.58 1zts n ILE 108 Ca -0.09 -0.05 0.18 0.00 -0.27 0.00 0.00 62.75 62.52 1zts n ILE 108 Cb 0.25 -0.29 0.88 0.00 -1.74 0.00 0.00 39.64 38.73 1zts n ILE 108 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1zts h LYS 109 N 0.45 0.00 0.00 6.28 3.64 -1.19 0.29 116.57 126.04 1zts h LYS 109 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1zts h LYS 109 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1zts h LYS 109 CO 0.00 0.00 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.74 1zts h ASP 110 N 0.00 0.00 -0.72 4.20 3.32 -1.77 -3.11 116.42 118.35 1zts h ASP 110 Ca 0.07 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.72 1zts h ASP 110 Cb 0.54 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.67 1zts h ASP 110 CO -0.00 0.00 -1.00 -1.22 -1.72 0.00 0.00 179.24 175.30 1zts n TYR 111 N -3.09 1.94 -5.06 4.55 4.02 0.99 -5.06 117.16 115.44 1zts n TYR 111 Ca 0.00 -2.35 -0.32 0.00 -0.01 0.00 0.00 57.90 55.22 1zts n TYR 111 Cb 0.28 -0.27 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 1zts n TYR 111 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1zts s VAL 112 N -4.14 2.50 -0.83 -0.72 1.01 -1.08 -4.85 120.40 112.29 1zts s VAL 112 Ca 0.37 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1zts s VAL 112 Cb 0.38 -1.97 0.21 0.00 0.00 0.00 0.00 36.38 34.99 1zts s VAL 112 CO -0.02 0.56 0.71 -0.54 0.00 0.00 0.00 175.10 175.81 1zts s LYS 113 N -0.02 3.15 0.58 2.72 1.02 -1.26 -5.02 119.74 120.92 1zts s LYS 113 Ca -0.06 -3.05 -0.10 0.00 0.02 0.00 0.00 55.97 52.78 1zts s LYS 113 Cb -0.15 -3.94 0.15 0.00 -0.52 0.00 0.00 37.83 33.36 1zts s LYS 113 CO 0.05 -1.24 0.52 -0.35 -0.92 0.00 0.00 175.35 173.40 1zts n PRO 114 N 2.71 -2.03 -3.77 -1.68 -0.04 -1.26 -4.38 135.00 124.55 1zts n PRO 114 Ca 0.18 -0.83 -0.23 0.00 -0.04 0.00 0.00 63.50 62.58 1zts n PRO 114 Cb 0.38 -0.78 0.02 0.00 -0.04 0.00 0.00 33.50 33.08 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 -3.89 -1.93 -3.90 0.55 0.00 -1.26 -4.95 120.51 105.13 1zts n ALA 115 Ca -0.10 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 1zts n ALA 115 Cb 0.28 -2.14 -0.12 0.00 0.00 0.00 0.00 19.45 17.47 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 -4.25 4.69 0.35 0.00 2.15 -1.26 -5.09 116.67 113.26 1zts s ASP 116 Ca 0.08 -3.44 0.00 0.00 0.43 0.00 0.00 52.55 49.62 1zts s ASP 116 Cb -0.04 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.92 1zts s ASP 116 CO 0.83 -0.17 0.00 -0.81 -0.17 0.00 0.00 175.17 174.85 1zts n PRO 117 N 2.55 0.29 -0.92 4.34 -0.04 -1.26 -4.80 135.00 135.16 1zts n PRO 117 Ca 0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.41 1zts n PRO 117 Cb 0.34 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.70 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 -1.05 5.40 -0.03 3.54 -0.08 -1.26 -3.99 116.55 119.09 1zts n ASP 118 Ca 0.00 -2.37 0.04 0.00 -1.51 0.00 0.00 54.79 50.95 1zts n ASP 118 Cb 0.00 -1.25 -0.15 0.00 2.34 0.00 0.00 41.12 42.06 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zts n LEU 119 N 3.03 0.00 -4.77 -2.67 -0.00 -1.26 -4.94 117.00 106.38 1zts n LEU 119 Ca 0.46 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 56.25 1zts n LEU 119 Cb 0.56 0.14 -0.05 0.00 -0.00 0.00 0.00 43.42 44.06 1zts n LEU 119 CO 0.38 0.14 -0.18 -1.61 -0.00 0.00 0.00 177.39 176.11 1zts s GLU 120 N -3.06 2.53 0.00 1.47 2.02 -1.26 -4.59 118.70 115.81 1zts s GLU 120 Ca -0.08 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.51 1zts s GLU 120 Cb 0.10 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 32.03 1zts s GLU 120 CO 0.78 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.64 1zts n GLY 121 N -1.18 3.22 3.77 -1.39 0.00 -1.26 -5.03 105.19 103.32 1zts n GLY 121 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1zts n GLY 121 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zts s ILE 122 N -2.22 2.61 -1.26 -0.61 1.01 -1.26 -2.23 121.20 117.24 1zts s ILE 122 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1zts s ILE 122 Cb 0.00 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.18 1zts s ILE 122 CO 0.00 0.05 0.00 1.21 0.00 0.00 0.00 174.94 176.20 1zts n GLU 123 N -0.16 -1.38 -0.12 2.79 2.13 -1.26 -4.83 120.64 117.81 1zts n GLU 123 Ca 0.05 0.89 -0.26 0.00 0.66 0.00 0.00 57.16 58.50 1zts n GLU 123 Cb 0.44 -5.15 -0.11 0.00 0.27 0.00 0.00 31.44 26.90 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1zts n ALA 124 N 1.22 1.11 0.13 4.31 0.00 -0.95 -4.32 120.51 122.02 1zts n ALA 124 Ca -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 53.44 52.38 1zts n ALA 124 Cb 0.53 -0.10 0.14 0.00 0.00 0.00 0.00 19.45 20.02 1zts n ALA 124 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1zts h LYS 125 N -0.83 0.00 -0.53 0.00 3.64 -1.88 -3.23 116.57 113.74 1zts h LYS 125 Ca -0.59 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1zts h LYS 125 Cb 1.60 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.36 1zts h LYS 125 CO -0.31 0.63 0.22 0.28 -2.27 0.00 0.00 179.45 178.00 1zts h VAL 126 N 0.00 0.85 -0.26 2.00 2.07 -1.92 0.90 116.25 119.90 1zts h VAL 126 Ca -0.01 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1zts h VAL 126 Cb 1.20 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1zts h VAL 126 CO 0.08 0.08 -0.02 0.03 0.02 0.00 0.00 177.57 177.75 1zts h ARG 127 N 0.41 0.39 0.23 1.57 2.47 -1.74 0.42 114.38 118.13 1zts h ARG 127 Ca 0.25 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1zts h ARG 127 Cb 0.25 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1zts h ARG 127 CO -0.23 0.44 -0.11 1.98 0.56 0.00 0.00 179.97 182.61 1zts h MET 128 N 0.38 -0.30 -0.31 0.04 4.05 -1.27 -3.03 114.93 114.50 1zts h MET 128 Ca 0.08 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.61 1zts h MET 128 Cb 0.29 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1zts h MET 128 CO 0.01 -0.20 0.27 0.07 0.23 0.00 0.00 176.91 177.29 1zts h ARG 129 N -0.66 0.00 -2.01 0.39 0.11 -0.91 -2.20 114.38 109.10 1zts h ARG 129 Ca -0.03 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.35 1zts h ARG 129 Cb 0.24 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 30.98 1zts h ARG 129 CO 0.05 0.00 0.25 0.43 0.10 0.00 0.00 179.97 180.80 1zts n SER 130 N -4.08 6.14 -4.58 0.08 7.64 0.14 -5.01 113.62 113.95 1zts n SER 130 Ca 0.05 -3.74 -0.29 0.00 1.01 0.00 0.00 58.87 55.89 1zts n SER 130 Cb 0.43 -0.83 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 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 -4.88 3.35 0.12 0.44 2.07 -0.83 -4.76 121.20 116.71 1zts s ILE 131 Ca 0.47 -1.34 -0.17 0.00 -1.41 0.00 0.00 60.65 58.20 1zts s ILE 131 Cb 0.33 -2.59 -0.03 0.00 0.13 0.00 0.00 42.46 40.31 1zts s ILE 131 CO -0.23 0.07 1.68 -0.07 -1.91 0.00 0.00 174.94 174.48 1zts h LEU 132 N 3.47 0.44 2.29 8.50 3.38 -1.90 -3.46 115.31 128.03 1zts h LEU 132 Ca -0.49 -0.15 -0.33 0.00 0.09 0.00 0.00 57.88 57.01 1zts h LEU 132 Cb 1.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1zts h LEU 132 CO 0.52 0.47 -0.39 1.21 0.09 0.00 0.00 178.44 180.35 1zts n GLU 133 N -4.73 -1.81 -4.60 1.13 2.13 -1.26 -4.95 120.64 106.55 1zts n GLU 133 Ca -0.01 0.84 -0.24 0.00 0.66 0.00 0.00 57.16 58.41 1zts n GLU 133 Cb 0.12 -5.38 -0.16 0.00 0.27 0.00 0.00 31.44 26.29 1zts n GLU 133 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1zts s HIS 134 N -2.70 1.39 0.77 4.31 2.46 -1.26 -5.15 115.29 115.12 1zts s HIS 134 Ca 0.00 -0.44 -0.04 0.00 0.47 0.00 0.00 55.06 55.05 1zts s HIS 134 Cb 0.00 -0.99 0.14 0.00 -0.13 0.00 0.00 32.58 31.61 1zts s HIS 134 CO 0.00 -0.20 1.07 -1.01 -2.47 0.00 0.00 174.74 172.13 1zts s HIS 135 N 0.38 1.56 -0.72 3.88 3.76 -1.26 -4.97 115.29 117.92 1zts s HIS 135 Ca -0.09 -0.16 -0.26 0.00 -0.15 0.00 0.00 55.06 54.40 1zts s HIS 135 Cb -0.13 -3.23 -0.03 0.00 1.11 0.00 0.00 32.58 30.31 1zts s HIS 135 CO 0.02 -1.92 1.88 -1.58 -0.85 0.00 0.00 174.74 172.29 1zts s HIS 136 N -3.30 1.73 0.64 1.40 2.46 -1.26 -4.96 115.29 112.00 1zts s HIS 136 Ca 0.68 0.71 0.06 0.00 0.47 0.00 0.00 55.06 56.98 1zts s HIS 136 Cb -0.05 -4.09 0.11 0.00 -0.13 0.00 0.00 32.58 28.42 1zts s HIS 136 CO 0.46 -2.11 0.88 -1.01 -2.47 0.00 0.00 174.74 170.49 1zts s HIS 137 N 9.34 1.34 -0.12 3.88 3.76 -1.26 -5.14 115.29 127.09 1zts s HIS 137 Ca 0.67 -0.60 -0.28 0.00 -0.15 0.00 0.00 55.06 54.70 1zts s HIS 137 Cb -0.10 -2.48 0.07 0.00 1.11 0.00 0.00 32.58 31.18 1zts s HIS 137 CO 0.13 -1.42 0.67 -3.38 -0.85 0.00 0.00 174.74 169.89 1zts s HIS 138 N -2.86 -0.67 0.00 1.40 -3.43 -1.26 -5.31 115.29 103.16 1zts s HIS 138 Ca 0.64 1.33 0.00 0.00 -0.80 0.00 0.00 55.06 56.23 1zts s HIS 138 Cb -0.05 0.35 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 1zts s HIS 138 CO 0.41 -0.52 0.00 1.58 -2.00 0.00 0.00 174.74 174.21