#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 -0.65 -0.74 -0.89 4.77 -1.26 -4.82 117.00 113.40 1zts n LEU 2 Ca 0.00 1.43 -0.00 0.00 -0.03 0.00 0.00 56.01 57.41 1zts n LEU 2 Cb 0.00 -4.05 -0.01 0.00 -2.33 0.00 0.00 43.42 37.04 1zts n LEU 2 CO 0.00 -3.58 0.23 0.18 -1.33 0.00 0.00 177.39 172.89 1zts n LEU 3 N -3.92 0.06 -5.01 2.23 4.32 -1.26 -5.12 117.00 108.30 1zts n LEU 3 Ca 0.01 -1.30 -0.19 0.00 -0.02 0.00 0.00 56.01 54.51 1zts n LEU 3 Cb 0.65 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.48 1zts n LEU 3 CO 0.01 0.66 0.25 0.27 -1.22 0.00 0.00 177.39 177.36 1zts s ILE 4 N 0.00 2.74 -0.02 -0.08 -4.36 -1.26 -5.12 121.20 113.10 1zts s ILE 4 Ca 0.06 -0.91 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1zts s ILE 4 Cb 0.07 -2.84 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 1zts s ILE 4 CO -0.03 0.00 -0.03 0.28 0.24 0.00 0.00 174.94 175.40 1zts s THR 5 N -2.53 3.93 -0.78 8.37 -1.32 -1.26 -5.00 115.64 117.05 1zts s THR 5 Ca 0.57 -0.59 0.18 0.00 -1.21 0.00 0.00 61.69 60.64 1zts s THR 5 Cb -0.09 -2.70 0.17 0.00 -1.51 0.00 0.00 72.50 68.37 1zts s THR 5 CO 0.36 0.45 1.56 -0.81 -2.21 0.00 0.00 174.62 173.97 1zts n PRO 6 N 1.70 0.08 0.07 7.08 -0.04 -1.26 -2.46 135.00 140.17 1zts n PRO 6 Ca -0.16 0.33 -0.07 0.00 -0.04 0.00 0.00 63.50 63.56 1zts n PRO 6 Cb 0.53 -1.66 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 1zts n PRO 6 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zts h ASP 7 N 0.00 0.03 0.64 3.54 1.82 -1.97 -3.25 116.42 117.24 1zts h ASP 7 Ca 0.00 -0.03 -0.15 0.00 -0.39 0.00 0.00 57.03 56.45 1zts h ASP 7 Cb 0.29 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 1zts h ASP 7 CO 0.00 0.97 -0.71 -0.33 -1.61 0.00 0.00 179.24 177.55 1zts h GLU 8 N 0.01 0.06 -0.41 0.28 4.39 -1.91 -2.82 114.58 114.17 1zts h GLU 8 Ca -0.02 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1zts h GLU 8 Cb 1.68 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.31 1zts h GLU 8 CO 0.13 0.75 0.21 1.25 -1.16 0.00 0.00 179.01 180.19 1zts h LEU 9 N 0.04 0.31 -0.43 1.33 5.85 -1.62 0.25 115.31 121.05 1zts h LEU 9 Ca -0.01 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1zts h LEU 9 Cb 1.26 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1zts h LEU 9 CO 0.10 0.23 -0.58 0.07 -0.34 0.00 0.00 178.44 177.92 1zts h LYS 10 N 0.43 0.64 -0.22 1.25 2.10 -1.65 0.31 116.57 119.42 1zts h LYS 10 Ca 0.17 -0.42 -0.09 0.00 -2.00 0.00 0.00 60.65 58.32 1zts h LYS 10 Cb 0.07 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1zts h LYS 10 CO -0.12 1.04 -0.24 1.03 -2.00 0.00 0.00 179.45 179.16 1zts h SER 11 N 0.48 0.41 0.01 7.07 0.87 -1.19 -3.26 113.55 117.95 1zts h SER 11 Ca 0.00 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.28 1zts h SER 11 Cb 1.14 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.98 1zts h SER 11 CO 0.11 0.65 -0.83 0.22 -0.53 0.00 0.00 176.83 176.46 1zts h TYR 12 N 0.37 0.06 -3.81 2.24 5.03 -0.43 -3.46 116.97 116.95 1zts h TYR 12 Ca 0.06 -0.04 -0.50 0.00 2.58 0.00 0.00 58.73 60.82 1zts h TYR 12 Cb 0.62 -0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.91 1zts h TYR 12 CO 0.02 1.32 0.46 0.45 -1.32 0.00 0.00 178.16 179.09 1zts s SER 13 N -6.65 7.27 -0.14 -2.11 0.15 0.11 -4.94 113.70 107.39 1zts s SER 13 Ca -0.24 2.22 0.11 0.00 0.70 0.00 0.00 55.95 58.73 1zts s SER 13 Cb 0.02 -2.62 0.55 0.00 -1.71 0.00 0.00 66.02 62.26 1zts s SER 13 CO 0.65 -0.14 1.36 1.33 1.20 0.00 0.00 173.24 177.64 1zts n VAL 14 N 1.11 1.70 -2.73 4.45 0.24 -1.26 -4.68 118.33 117.17 1zts n VAL 14 Ca -0.01 -0.92 -0.43 0.00 -2.04 0.00 0.00 64.34 60.95 1zts n VAL 14 Cb 0.45 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.07 2.86 0.60 6.34 0.08 -1.26 -4.89 117.98 119.65 1zts s PHE 15 Ca 0.37 0.49 0.31 0.00 0.12 0.00 0.00 56.93 58.23 1zts s PHE 15 Cb 0.27 -4.18 1.88 0.00 -0.57 0.00 0.00 43.02 40.42 1zts s PHE 15 CO 0.13 -1.20 2.25 1.05 -0.10 0.00 0.00 175.22 177.36 1zts h GLU 16 N 9.17 0.00 0.02 0.44 4.11 -1.97 -1.17 114.58 125.17 1zts h GLU 16 Ca -0.24 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.94 1zts h GLU 16 Cb 1.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1zts h GLU 16 CO 1.07 0.00 -1.02 0.77 0.07 0.00 0.00 179.01 179.90 1zts h SER 17 N 0.00 0.71 0.53 3.06 0.02 -1.98 -2.87 113.55 113.02 1zts h SER 17 Ca 0.01 -0.59 -0.17 0.00 -0.84 0.00 0.00 61.79 60.21 1zts h SER 17 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1zts h SER 17 CO -0.00 1.39 -0.73 0.58 -1.14 0.00 0.00 176.83 176.93 1zts h VAL 18 N 0.30 1.46 -0.00 2.27 2.07 -1.58 -2.88 116.25 117.88 1zts h VAL 18 Ca -0.11 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1zts h VAL 18 Cb 1.67 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1zts h VAL 18 CO 0.19 0.68 -0.01 2.29 0.02 0.00 0.00 177.57 180.74 1zts n LYS 19 N -3.75 1.14 0.00 1.57 2.85 -0.57 -3.11 118.16 116.29 1zts n LYS 19 Ca -0.02 -0.27 0.07 0.00 -1.05 0.00 0.00 58.31 57.03 1zts n LYS 19 Cb 0.70 -1.49 0.03 0.00 -0.65 0.00 0.00 35.03 33.63 1zts n LYS 19 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1zts n THR 20 N -0.69 0.00 -2.99 0.58 -2.24 -1.09 -4.99 114.28 102.86 1zts n THR 20 Ca 0.22 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1zts n THR 20 Cb 0.19 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 1zts n THR 20 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1zts s ARG 21 N -1.42 3.78 0.04 -0.78 0.52 -1.18 -5.08 118.95 114.84 1zts s ARG 21 Ca 0.15 0.41 -0.01 0.00 -0.52 0.00 0.00 55.73 55.76 1zts s ARG 21 Cb 0.12 -2.45 0.01 0.00 0.52 0.00 0.00 34.95 33.15 1zts s ARG 21 CO 0.25 0.04 0.04 -0.35 0.02 0.00 0.00 175.30 175.30 1zts n PRO 22 N -1.08 -1.10 0.04 3.54 -0.04 -1.26 -4.83 135.00 130.27 1zts n PRO 22 Ca 0.02 -0.06 -0.05 0.00 -0.04 0.00 0.00 63.50 63.37 1zts n PRO 22 Cb 0.54 -0.05 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 1zts n PRO 22 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zts h ASP 23 N -1.08 0.00 -0.12 3.54 3.45 -1.98 -3.07 116.42 117.15 1zts h ASP 23 Ca -0.01 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.29 1zts h ASP 23 Cb 0.04 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1zts h ASP 23 CO 0.01 0.84 -0.53 1.05 -1.57 0.00 0.00 179.24 179.03 1zts h GLU 24 N 0.00 0.58 0.34 3.56 4.11 -2.00 -2.84 114.58 118.33 1zts h GLU 24 Ca -0.13 -0.46 -0.02 0.00 0.07 0.00 0.00 59.36 58.83 1zts h GLU 24 Cb 1.75 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1zts h GLU 24 CO 0.09 1.08 -0.16 -0.07 0.07 0.00 0.00 179.01 180.02 1zts h LEU 25 N 0.21 -0.38 -1.29 3.06 3.38 -1.94 -2.91 115.31 115.43 1zts h LEU 25 Ca -0.03 -0.16 0.24 0.00 0.09 0.00 0.00 57.88 58.01 1zts h LEU 25 Cb 1.17 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 1zts h LEU 25 CO 0.11 -0.00 0.64 -0.07 0.09 0.00 0.00 178.44 179.21 1zts h LEU 26 N -0.83 0.52 -0.11 1.67 3.38 -1.65 -0.02 115.31 118.27 1zts h LEU 26 Ca -0.05 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1zts h LEU 26 Cb 0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1zts h LEU 26 CO 0.08 0.14 0.06 0.11 0.09 0.00 0.00 178.44 178.92 1zts h LYS 27 N 0.48 0.16 -0.63 1.13 1.57 -1.42 -1.62 116.57 116.24 1zts h LYS 27 Ca 0.57 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.42 1zts h LYS 27 Cb 1.31 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 1zts h LYS 27 CO -0.31 0.17 0.28 1.96 -0.57 0.00 0.00 179.45 180.99 1zts h GLN 28 N 0.10 0.48 -0.33 3.15 4.20 -0.81 0.97 115.11 122.87 1zts h GLN 28 Ca 0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1zts h GLN 28 Cb 0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1zts h GLN 28 CO -0.01 0.32 0.00 -0.44 -0.67 0.00 0.00 178.83 178.04 1zts h ASP 29 N 0.50 0.48 -0.20 1.46 3.32 -1.22 0.18 116.42 120.94 1zts h ASP 29 Ca 0.31 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 1zts h ASP 29 Cb 0.33 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1zts h ASP 29 CO -0.26 0.55 -0.40 0.40 -1.72 0.00 0.00 179.24 177.81 1zts h ILE 30 N 0.49 1.33 0.00 0.35 2.04 -0.14 -1.25 117.51 120.33 1zts h ILE 30 Ca 0.11 -1.63 -0.12 0.00 1.00 0.00 0.00 64.86 64.22 1zts h ILE 30 Cb 0.32 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1zts h ILE 30 CO 0.01 0.51 -0.57 -0.07 0.00 0.00 0.00 178.15 178.02 1zts h LEU 31 N 0.31 0.00 -0.03 1.44 3.38 -0.64 -2.95 115.31 116.82 1zts h LEU 31 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1zts h LEU 31 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1zts h LEU 31 CO 0.09 0.57 -0.44 -0.08 0.09 0.00 0.00 178.44 178.67 1zts h GLU 32 N 0.00 0.00 -0.09 1.13 4.81 -0.60 -3.30 114.58 116.53 1zts h GLU 32 Ca -0.01 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1zts h GLU 32 Cb 1.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1zts h GLU 32 CO 0.07 0.44 -0.64 0.00 -0.73 0.00 0.00 179.01 178.16 1zts h ALA 33 N 1.56 0.19 -0.09 2.92 0.00 -1.09 -3.12 119.26 119.63 1zts h ALA 33 Ca -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1zts h ALA 33 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1zts h ALA 33 CO 0.06 0.48 0.20 0.00 0.00 0.00 0.00 179.25 179.98 1zts h THR 34 N 0.21 0.20 0.00 0.00 1.03 -1.59 0.92 112.91 113.67 1zts h THR 34 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.28 1zts h THR 34 Cb 1.29 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.18 1zts h THR 34 CO 0.13 0.00 -0.31 0.00 -0.01 0.00 0.00 175.52 175.34 1zts h ALA 35 N 1.69 1.38 0.05 0.00 0.00 -1.65 -1.82 119.26 118.91 1zts h ALA 35 Ca 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1zts h ALA 35 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1zts h ALA 35 CO -0.00 0.38 -0.03 0.22 0.00 0.00 0.00 179.25 179.83 1zts h ASP 36 N 0.00 -0.06 0.27 0.00 3.58 -0.96 -2.79 116.42 116.46 1zts h ASP 36 Ca -0.00 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1zts h ASP 36 Cb 0.58 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1zts h ASP 36 CO 0.04 0.66 -0.27 0.40 -2.88 0.00 0.00 179.24 177.19 1zts h ILE 37 N -0.88 0.43 -0.74 2.25 2.04 -1.52 -2.02 117.51 117.07 1zts h ILE 37 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 1zts h ILE 37 Cb 0.64 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1zts h ILE 37 CO 0.01 0.00 0.49 0.40 0.00 0.00 0.00 178.15 179.05 1zts h ILE 38 N -0.57 0.85 0.00 -0.67 2.04 -1.48 0.24 117.51 117.92 1zts h ILE 38 Ca -0.01 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1zts h ILE 38 Cb 0.52 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1zts h ILE 38 CO -0.06 0.09 -0.13 -0.07 0.00 0.00 0.00 178.15 177.98 1zts h LEU 39 N 0.49 0.00 0.06 1.44 3.38 -1.09 0.25 115.31 119.84 1zts h LEU 39 Ca 0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.16 1zts h LEU 39 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1zts h LEU 39 CO -0.12 0.13 -0.81 0.11 0.09 0.00 0.00 178.44 177.84 1zts h LYS 40 N 0.00 0.13 0.00 1.13 1.57 -0.08 -3.34 116.57 115.98 1zts h LYS 40 Ca -0.00 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1zts h LYS 40 Cb 0.42 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1zts h LYS 40 CO 0.02 1.11 -0.49 -0.39 -0.57 0.00 0.00 179.45 179.12 1zts h VAL 41 N -0.67 1.19 -0.47 0.50 -1.51 -1.23 -3.47 116.25 110.58 1zts h VAL 41 Ca -0.18 -1.80 -0.00 0.00 -1.23 0.00 0.00 66.70 63.49 1zts h VAL 41 Cb 1.41 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.59 1zts h VAL 41 CO 0.01 0.49 -0.00 0.61 -1.23 0.00 0.00 177.57 177.44 1zts n GLY 42 N 0.19 0.62 3.65 5.19 0.00 0.86 -2.94 105.19 112.76 1zts n GLY 42 Ca -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.45 -0.26 0.32 1.61 -3.43 -1.11 -4.94 115.29 105.04 1zts s HIS 43 Ca 0.00 0.57 0.04 0.00 -0.80 0.00 0.00 55.06 54.87 1zts s HIS 43 Cb -0.00 0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 31.43 1zts s HIS 43 CO 0.00 -0.13 0.48 0.16 -2.00 0.00 0.00 174.74 173.25 1zts s ASP 44 N 0.65 6.16 -1.05 7.38 -4.77 -1.26 -4.72 116.67 119.07 1zts s ASP 44 Ca -0.02 0.13 -0.02 0.00 -3.30 0.00 0.00 52.55 49.34 1zts s ASP 44 Cb -0.04 -1.70 0.31 0.00 -1.09 0.00 0.00 42.92 40.40 1zts s ASP 44 CO -0.12 -0.30 1.62 0.49 0.70 0.00 0.00 175.17 177.55 1zts n PHE 45 N -1.65 2.49 0.05 2.11 3.72 -1.26 -4.78 117.46 118.15 1zts n PHE 45 Ca -0.04 -2.60 -0.12 0.00 -0.05 0.00 0.00 57.45 54.64 1zts n PHE 45 Cb 0.57 -1.21 -0.08 0.00 -0.94 0.00 0.00 39.48 37.82 1zts n PHE 45 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1zts h SER 46 N 4.86 -0.17 -1.55 4.37 0.02 -1.96 -3.44 113.55 115.68 1zts h SER 46 Ca 0.34 -0.37 -0.67 0.00 -0.84 0.00 0.00 61.79 60.25 1zts h SER 46 Cb 0.49 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1zts h SER 46 CO 1.26 0.36 1.19 0.47 -1.14 0.00 0.00 176.83 178.97 1zts n ASP 47 N -4.93 2.68 0.33 3.07 8.00 -1.26 -4.79 116.55 119.65 1zts n ASP 47 Ca -0.08 0.76 0.22 0.00 0.71 0.00 0.00 54.79 56.40 1zts n ASP 47 Cb 0.27 -1.28 1.17 0.00 -0.02 0.00 0.00 41.12 41.26 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zts h ALA 48 N 10.13 1.02 -0.60 2.24 0.00 -2.02 -0.07 119.26 129.96 1zts h ALA 48 Ca -0.40 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 1zts h ALA 48 Cb 1.30 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 1zts h ALA 48 CO 0.98 -0.02 0.25 -0.85 0.00 0.00 0.00 179.25 179.62 1zts n GLU 49 N -3.01 2.96 -2.71 0.00 0.28 -1.26 -4.27 120.64 112.63 1zts n GLU 49 Ca -0.03 -2.34 -0.07 0.00 -0.16 0.00 0.00 57.16 54.56 1zts n GLU 49 Cb 0.08 -1.99 0.10 0.00 1.43 0.00 0.00 31.44 31.06 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 -0.14 -2.35 -3.30 -1.84 4.19 -0.04 -5.04 117.16 108.64 1zts n TYR 50 Ca 0.33 -1.84 -0.26 0.00 3.31 0.00 0.00 57.90 59.44 1zts n TYR 50 Cb 1.19 1.56 -0.07 0.00 0.49 0.00 0.00 39.34 42.51 1zts n TYR 50 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1zts n ILE 51 N -0.20 1.89 -2.24 2.97 5.41 -1.25 -4.76 119.36 121.18 1zts n ILE 51 Ca -0.02 -5.06 -0.41 0.00 1.00 0.00 0.00 62.75 58.26 1zts n ILE 51 Cb 0.78 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.77 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 -2.42 4.43 -0.56 0.38 0.04 -1.26 -4.99 135.00 130.61 1zts s PRO 52 Ca 0.41 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1zts s PRO 52 Cb 0.18 -3.16 0.27 0.00 0.04 0.00 0.00 34.50 31.83 1zts s PRO 52 CO -0.05 -0.14 0.73 1.28 0.04 0.00 0.00 177.00 178.86 1zts n LEU 53 N 1.77 2.95 -4.65 -3.56 4.32 -1.26 -4.95 117.00 111.63 1zts n LEU 53 Ca 0.03 -5.30 -0.29 0.00 -0.02 0.00 0.00 56.01 50.43 1zts n LEU 53 Cb 0.43 -0.30 0.20 0.00 -1.62 0.00 0.00 43.42 42.12 1zts n LEU 53 CO 0.57 2.11 0.63 -2.16 -1.22 0.00 0.00 177.39 177.33 1zts s PRO 54 N -2.33 -0.18 0.58 3.23 0.04 -1.26 -4.56 135.00 130.52 1zts s PRO 54 Ca 0.40 0.31 0.28 0.00 0.04 0.00 0.00 61.00 62.03 1zts s PRO 54 Cb 0.18 -1.68 1.72 0.00 0.04 0.00 0.00 34.50 34.76 1zts s PRO 54 CO -0.05 -3.09 2.19 1.49 0.04 0.00 0.00 177.00 177.58 1zts h GLU 55 N -2.15 0.00 0.01 4.56 4.81 -1.99 0.46 114.58 120.28 1zts h GLU 55 Ca -0.52 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1zts h GLU 55 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1zts h GLU 55 CO 0.50 0.00 -0.00 1.79 -0.73 0.00 0.00 179.01 180.57 1zts h THR 56 N 0.00 1.55 0.34 0.32 1.35 -1.90 -2.74 112.91 111.82 1zts h THR 56 Ca 0.03 -1.75 -0.02 0.00 -0.55 0.00 0.00 66.41 64.12 1zts h THR 56 Cb 0.18 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1zts h THR 56 CO -0.00 0.45 -0.16 0.58 -0.25 0.00 0.00 175.52 176.14 1zts h VAL 57 N -0.77 0.64 -1.00 6.82 2.07 -1.73 0.92 116.25 123.20 1zts h VAL 57 Ca -0.00 -0.56 0.20 0.00 0.82 0.00 0.00 66.70 67.15 1zts h VAL 57 Cb 0.74 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 31.32 1zts h VAL 57 CO 0.00 0.10 0.61 0.03 0.02 0.00 0.00 177.57 178.34 1zts h ARG 58 N -0.79 0.72 0.03 1.57 3.08 -1.08 0.50 114.38 118.42 1zts h ARG 58 Ca -0.05 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1zts h ARG 58 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1zts h ARG 58 CO 0.08 0.48 -0.01 1.25 -1.07 0.00 0.00 179.97 180.69 1zts h LEU 59 N 0.75 -0.03 -0.80 3.04 5.85 -1.42 -1.27 115.31 121.42 1zts h LEU 59 Ca 0.58 -0.60 0.15 0.00 0.84 0.00 0.00 57.88 58.85 1zts h LEU 59 Cb 0.93 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 1zts h LEU 59 CO -0.39 0.61 0.36 0.00 -0.34 0.00 0.00 178.44 178.68 1zts h ALA 60 N 0.21 1.16 -0.18 1.25 0.00 -0.02 0.17 119.26 121.85 1zts h ALA 60 Ca -0.00 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1zts h ALA 60 Cb 0.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1zts h ALA 60 CO 0.01 -0.17 -0.50 1.25 0.00 0.00 0.00 179.25 179.84 1zts h LEU 61 N 0.51 0.74 -1.19 0.00 7.12 -0.98 -2.40 115.31 119.11 1zts h LEU 61 Ca 0.44 -0.58 0.08 0.00 0.13 0.00 0.00 57.88 57.94 1zts h LEU 61 Cb 0.66 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.51 1zts h LEU 61 CO -0.39 1.20 0.57 -0.07 -0.13 0.00 0.00 178.44 179.61 1zts h LEU 62 N 0.33 0.84 -0.18 2.25 3.38 -0.15 0.27 115.31 122.05 1zts h LEU 62 Ca -0.01 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1zts h LEU 62 Cb 1.12 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1zts h LEU 62 CO 0.11 0.53 -0.74 0.11 0.09 0.00 0.00 178.44 178.54 1zts h LYS 63 N 0.95 0.82 -0.21 1.13 1.79 -0.98 -3.19 116.57 116.87 1zts h LYS 63 Ca 0.39 -0.64 -0.11 0.00 -2.18 0.00 0.00 60.65 58.10 1zts h LYS 63 Cb 0.27 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1zts h LYS 63 CO -0.15 1.25 -0.35 -0.07 -1.08 0.00 0.00 179.45 179.05 1zts h LEU 64 N 0.57 0.47 -0.70 2.94 3.38 -0.81 -2.94 115.31 118.22 1zts h LEU 64 Ca -0.04 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1zts h LEU 64 Cb 1.37 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 1zts h LEU 64 CO 0.15 0.79 0.40 0.28 0.09 0.00 0.00 178.44 180.15 1zts h SER 65 N 0.39 0.60 -0.51 -0.43 0.02 -0.49 -2.05 113.55 111.08 1zts h SER 65 Ca 0.04 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1zts h SER 65 Cb 0.79 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1zts h SER 65 CO 0.06 0.39 -0.03 -0.61 -1.14 0.00 0.00 176.83 175.50 1zts h GLN 66 N 0.73 0.92 0.24 3.45 -0.00 -1.53 -0.51 115.11 118.42 1zts h GLN 66 Ca 0.31 -0.31 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1zts h GLN 66 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.55 1zts h GLN 66 CO -0.18 0.96 -0.39 0.35 0.00 0.00 0.00 178.83 179.58 1zts h PHE 67 N 0.79 -1.07 -0.04 3.99 3.04 -1.23 0.24 116.94 122.66 1zts h PHE 67 Ca 0.14 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1zts h PHE 67 Cb 0.57 0.44 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 1zts h PHE 67 CO 0.04 -0.51 0.01 1.88 -2.02 0.00 0.00 178.31 177.71 1zts h TYR 68 N -0.70 0.06 -0.92 0.41 -1.99 -1.41 -2.67 116.97 109.77 1zts h TYR 68 Ca 0.00 -0.01 0.17 0.00 2.00 0.00 0.00 58.73 60.89 1zts h TYR 68 Cb 0.68 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.31 1zts h TYR 68 CO -0.29 0.26 0.59 0.00 -0.00 0.00 0.00 178.16 178.72 1zts h ALA 69 N 0.80 1.90 -0.16 3.88 0.00 -0.93 0.23 119.26 124.98 1zts h ALA 69 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1zts h ALA 69 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1zts h ALA 69 CO -0.00 -0.18 0.03 1.25 0.00 0.00 0.00 179.25 180.35 1zts h LEU 70 N 0.63 0.25 -3.27 0.00 5.85 -0.28 -2.84 115.31 115.65 1zts h LEU 70 Ca 0.48 -0.25 -0.23 0.00 0.84 0.00 0.00 57.88 58.73 1zts h LEU 70 Cb 0.87 -0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.70 1zts h LEU 70 CO -0.23 0.44 0.29 2.30 -0.34 0.00 0.00 178.44 180.89 1zts n ILE 71 N -4.79 2.43 -0.05 4.05 -5.35 -0.52 -3.68 119.36 111.44 1zts n ILE 71 Ca -0.05 -1.29 -0.01 0.00 -0.27 0.00 0.00 62.75 61.14 1zts n ILE 71 Cb 0.17 -0.49 -0.16 0.00 -1.74 0.00 0.00 39.64 37.43 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 -0.23 0.08 -2.68 7.28 3.02 0.70 -4.80 115.26 118.63 1zts n ASN 72 Ca 0.35 0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.88 1zts n ASN 72 Cb 1.22 1.32 0.07 0.00 -0.61 0.00 0.00 39.78 41.77 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zts n GLY 73 N 1.52 -0.13 3.91 7.41 0.00 -1.25 -5.07 105.19 111.58 1zts n GLY 73 Ca -0.19 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1zts n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zts s ASP 74 N -0.64 6.43 -0.47 1.61 3.68 -1.24 -4.99 116.67 121.05 1zts s ASP 74 Ca 0.15 0.63 -0.02 0.00 2.13 0.00 0.00 52.55 55.45 1zts s ASP 74 Cb 0.24 -2.11 0.22 0.00 -1.45 0.00 0.00 42.92 39.82 1zts s ASP 74 CO -0.08 -0.15 2.27 1.21 0.13 0.00 0.00 175.17 178.55 1zts n GLU 75 N -0.82 2.23 -0.76 4.34 4.07 -1.26 -3.85 120.64 124.58 1zts n GLU 75 Ca -0.02 -2.28 -0.04 0.00 -0.06 0.00 0.00 57.16 54.75 1zts n GLU 75 Cb 0.54 -1.96 -0.04 0.00 -0.06 0.00 0.00 31.44 29.92 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 0.22 -0.56 -3.87 4.31 2.88 -1.26 -5.14 113.62 110.20 1zts n SER 76 Ca 0.44 -1.20 -0.11 0.00 -1.33 0.00 0.00 58.87 56.67 1zts n SER 76 Cb 0.55 0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.09 -0.11 2.46 1.01 -1.25 -2.52 121.20 120.88 1zts s ILE 77 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1zts s ILE 77 Cb 0.00 -0.48 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1zts s ILE 77 CO 0.00 -0.39 -0.15 -0.63 0.00 0.00 0.00 174.94 173.77 1zts s ILE 78 N -1.50 1.47 -1.16 2.92 -1.09 -1.24 -4.90 121.20 115.69 1zts s ILE 78 Ca -0.14 -0.63 -0.21 0.00 -2.23 0.00 0.00 60.65 57.45 1zts s ILE 78 Cb -0.07 -1.35 0.06 0.00 -1.58 0.00 0.00 42.46 39.52 1zts s ILE 78 CO 0.01 0.43 1.61 -0.54 -1.23 0.00 0.00 174.94 175.23 1zts s LYS 79 N 0.98 3.75 2.00 2.79 3.01 -1.26 -2.88 119.74 128.13 1zts s LYS 79 Ca -0.07 -1.54 0.00 0.00 -1.01 0.00 0.00 55.97 53.35 1zts s LYS 79 Cb -0.15 -5.44 0.00 0.00 -1.01 0.00 0.00 37.83 31.23 1zts s LYS 79 CO -0.01 -2.29 0.00 0.41 0.51 0.00 0.00 175.35 173.97 1zts n GLY 80 N 6.13 0.82 1.69 -3.33 0.00 -1.22 -3.92 105.19 105.36 1zts n GLY 80 Ca 0.41 0.48 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 -1.96 -1.83 1.61 0.18 -1.26 -4.99 117.16 108.91 1zts n TYR 81 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 1zts n TYR 81 Cb 0.00 0.42 -0.04 0.00 -0.38 0.00 0.00 39.34 39.34 1zts n TYR 81 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1zts n THR 82 N -2.34 0.00 -4.03 -3.48 -1.04 -1.25 -5.14 114.28 96.99 1zts n THR 82 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1zts n THR 82 Cb 0.00 0.27 -0.06 0.00 -1.82 0.00 0.00 70.33 68.72 1zts n THR 82 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1zts s THR 83 N 0.00 4.73 0.00 12.58 -4.23 -1.26 -5.11 115.64 122.35 1zts s THR 83 Ca 0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1zts s THR 83 Cb 0.00 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.57 1zts s THR 83 CO 0.00 0.16 0.00 -0.62 -0.54 0.00 0.00 174.62 173.62 1zts n GLU 84 N 0.54 -1.00 -2.28 3.99 1.02 -1.26 -4.82 120.64 116.83 1zts n GLU 84 Ca -0.09 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 1zts n GLU 84 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.91 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 -2.09 3.12 -0.00 3.49 0.00 -1.26 -4.76 119.74 118.24 1zts s LYS 85 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 55.97 56.56 1zts s LYS 85 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 37.83 33.52 1zts s LYS 85 CO 0.00 -2.16 0.32 -0.89 0.00 0.00 0.00 175.35 172.62 1zts n ILE 86 N 6.94 0.00 -1.31 3.79 2.08 -1.26 -4.99 119.36 124.61 1zts n ILE 86 Ca 0.14 -0.27 -0.11 0.00 0.56 0.00 0.00 62.75 63.08 1zts n ILE 86 Cb 0.50 0.80 -0.05 0.00 -0.75 0.00 0.00 39.64 40.14 1zts n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1zts n GLY 87 N 1.43 1.14 3.31 7.39 0.00 -1.26 -4.96 105.19 112.25 1zts n GLY 87 Ca 0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 1zts n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zts s ASP 88 N -2.64 -0.32 -2.00 1.61 2.15 -1.26 -4.87 116.67 109.34 1zts s ASP 88 Ca 0.00 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.25 1zts s ASP 88 Cb 0.00 0.39 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 1zts s ASP 88 CO 0.00 -0.48 0.00 0.00 -0.17 0.00 0.00 175.17 174.52 1zts n TYR 89 N 1.24 0.00 -3.92 -5.34 4.19 -1.26 -4.89 117.16 107.18 1zts n TYR 89 Ca -0.21 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.00 1zts n TYR 89 Cb 0.56 -3.31 0.00 0.00 0.49 0.00 0.00 39.34 37.08 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1zts n SER 90 N -1.29 0.47 -1.91 2.98 7.64 -1.26 -3.41 113.62 116.83 1zts n SER 90 Ca -0.19 -0.92 -0.19 0.00 1.01 0.00 0.00 58.87 58.58 1zts n SER 90 Cb 0.66 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.82 1zts n SER 90 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1zts n TYR 91 N 0.00 -0.57 -2.16 1.43 0.53 -1.14 -4.79 117.16 110.46 1zts n TYR 91 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.53 1zts n TYR 91 Cb 0.00 -3.54 -0.04 0.00 -1.03 0.00 0.00 39.34 34.74 1zts n TYR 91 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 1zts s THR 92 N -2.86 3.50 0.83 -0.72 2.01 -1.15 -4.44 115.64 112.81 1zts s THR 92 Ca 0.00 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.75 1zts s THR 92 Cb 0.00 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 1zts s THR 92 CO 0.00 -1.16 0.49 0.18 -0.69 0.00 0.00 174.62 173.45 1zts n LEU 93 N 12.37 0.49 0.19 4.42 4.77 -1.24 -3.59 117.00 134.40 1zts n LEU 93 Ca 0.27 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.86 1zts n LEU 93 Cb 0.50 -1.22 0.66 0.00 -2.33 0.00 0.00 43.42 41.03 1zts n LEU 93 CO 0.66 -3.30 0.89 1.23 -1.33 0.00 0.00 177.39 175.55 1zts h GLY 94 N -0.91 0.00 -2.87 -0.72 0.00 -1.85 -0.90 103.07 95.82 1zts h GLY 94 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1zts h GLY 94 CO 0.39 0.00 0.02 1.22 0.00 0.00 0.00 176.54 178.16 1zts n ASP 95 N -2.41 4.41 -2.21 0.19 8.00 -1.26 -4.89 116.55 118.38 1zts n ASP 95 Ca -0.01 -2.69 -0.13 0.00 0.71 0.00 0.00 54.79 52.67 1zts n ASP 95 Cb 0.09 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 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 0.41 -0.14 3.49 0.44 0.00 -0.34 -4.92 105.19 104.13 1zts n GLY 96 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 5.63 -1.06 1.61 0.01 -1.26 -4.96 113.70 111.64 1zts s SER 97 Ca 0.00 -0.30 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1zts s SER 97 Cb 0.00 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 1zts s SER 97 CO 0.00 -0.12 1.88 -0.55 0.41 0.00 0.00 173.24 174.86 1zts s SER 98 N 1.67 5.36 -0.58 2.44 0.15 -1.26 -3.71 113.70 117.76 1zts s SER 98 Ca 0.06 -1.28 -0.30 0.00 0.70 0.00 0.00 55.95 55.13 1zts s SER 98 Cb -0.16 -2.57 -0.12 0.00 -1.71 0.00 0.00 66.02 61.45 1zts s SER 98 CO 0.07 -2.64 2.42 -0.11 1.20 0.00 0.00 173.24 174.19 1zts n LEU 99 N 13.23 1.73 -4.86 3.45 7.94 -1.26 -4.91 117.00 132.31 1zts n LEU 99 Ca 0.42 -0.03 -0.34 0.00 -1.11 0.00 0.00 56.01 54.95 1zts n LEU 99 Cb 0.47 -1.31 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 1zts n LEU 99 CO 0.65 -1.07 0.19 -1.10 -1.11 0.00 0.00 177.39 174.95 1zts s GLN 100 N 7.82 3.85 0.95 1.96 -1.52 -1.26 -5.06 119.66 126.40 1zts s GLN 100 Ca 1.12 0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 54.73 1zts s GLN 100 Cb -0.68 -2.84 0.08 0.00 -0.22 0.00 0.00 33.01 29.36 1zts s GLN 100 CO 0.39 0.44 0.68 1.63 -0.25 0.00 0.00 175.29 178.18 1zts n LYS 101 N 0.44 -0.44 -1.21 2.91 4.01 -1.26 -4.97 118.16 117.65 1zts n LYS 101 Ca -0.04 -0.08 -0.30 0.00 -0.51 0.00 0.00 58.31 57.39 1zts n LYS 101 Cb 0.52 -2.05 0.14 0.00 -0.51 0.00 0.00 35.03 33.13 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1zts s PRO 102 N -4.02 1.24 -0.94 1.97 0.04 -1.26 -4.97 135.00 127.07 1zts s PRO 102 Ca 0.61 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 1zts s PRO 102 Cb -0.22 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.69 1zts s PRO 102 CO 0.64 -2.25 1.04 0.34 0.04 0.00 0.00 177.00 176.81 1zts s ASP 103 N -3.42 6.76 -0.22 6.66 3.68 -1.26 -4.79 116.67 124.08 1zts s ASP 103 Ca 0.63 -2.43 0.14 0.00 2.13 0.00 0.00 52.55 53.02 1zts s ASP 103 Cb -0.18 -2.33 0.49 0.00 -1.45 0.00 0.00 42.92 39.45 1zts s ASP 103 CO 0.57 -0.83 1.40 1.33 0.13 0.00 0.00 175.17 177.77 1zts n VAL 104 N 4.77 2.34 -0.04 1.11 0.24 -1.26 -4.66 118.33 120.82 1zts n VAL 104 Ca 0.22 -2.27 -0.14 0.00 -2.04 0.00 0.00 64.34 60.11 1zts n VAL 104 Cb 0.47 -0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 32.48 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 1.25 0.32 0.00 6.34 5.03 -1.98 -3.06 116.97 124.86 1zts h TYR 105 Ca 0.08 -0.11 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 1zts h TYR 105 Cb 1.46 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.68 1zts h TYR 105 CO 0.64 0.74 -0.09 0.00 -1.32 0.00 0.00 178.16 178.13 1zts h ALA 106 N 0.52 1.36 0.19 1.82 0.00 -1.99 -0.60 119.26 120.55 1zts h ALA 106 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1zts h ALA 106 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1zts h ALA 106 CO 0.03 0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 179.24 1zts h LEU 107 N 0.00 -0.22 -1.15 0.00 3.38 -1.85 -3.00 115.31 112.47 1zts h LEU 107 Ca -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1zts h LEU 107 Cb 0.26 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1zts h LEU 107 CO 0.01 0.13 0.00 2.30 0.09 0.00 0.00 178.44 180.97 1zts n ILE 108 N -5.06 0.39 0.24 1.22 -5.35 -1.10 -4.13 119.36 105.56 1zts n ILE 108 Ca -0.09 -0.41 0.18 0.00 -0.27 0.00 0.00 62.75 62.16 1zts n ILE 108 Cb 0.23 0.23 0.88 0.00 -1.74 0.00 0.00 39.64 39.23 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 1.89 0.00 0.00 6.28 3.11 -0.96 0.21 116.57 127.10 1zts h LYS 109 Ca 0.00 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.68 1zts h LYS 109 Cb 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.63 1zts h LYS 109 CO 0.00 0.00 -0.93 -0.44 -2.81 0.00 0.00 179.45 175.27 1zts h ASP 110 N 0.00 0.00 -1.28 4.20 3.32 -1.79 -3.33 116.42 117.54 1zts h ASP 110 Ca 0.07 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.48 1zts h ASP 110 Cb 0.50 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.69 1zts h ASP 110 CO -0.00 0.69 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.95 1zts n TYR 111 N -3.17 3.09 -3.72 4.55 4.01 0.71 -4.92 117.16 117.71 1zts n TYR 111 Ca -0.03 -2.67 -0.37 0.00 -0.16 0.00 0.00 57.90 54.67 1zts n TYR 111 Cb 0.84 -0.68 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 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 -5.01 3.51 -0.39 -0.72 1.01 -0.99 -4.76 120.40 113.05 1zts s VAL 112 Ca 0.53 -2.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.28 1zts s VAL 112 Cb 0.44 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 33.46 1zts s VAL 112 CO -0.13 -0.72 0.51 1.17 0.00 0.00 0.00 175.10 175.94 1zts n LYS 113 N 4.63 -2.18 -0.42 2.72 3.00 -1.15 -4.99 118.16 119.78 1zts n LYS 113 Ca -0.03 1.84 -0.12 0.00 -0.00 0.00 0.00 58.31 60.00 1zts n LYS 113 Cb 0.41 -3.98 0.10 0.00 0.00 0.00 0.00 35.03 31.56 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 -0.02 -1.89 -1.13 1.64 -0.04 -1.26 -4.84 135.00 127.46 1zts n PRO 114 Ca 0.02 -0.71 -0.33 0.00 -0.04 0.00 0.00 63.50 62.45 1zts n PRO 114 Cb 0.50 -0.66 -0.03 0.00 -0.04 0.00 0.00 33.50 33.26 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 -3.76 6.70 -3.76 0.55 0.00 -1.26 -4.71 120.51 114.27 1zts n ALA 115 Ca -0.08 -3.02 -0.29 0.00 0.00 0.00 0.00 53.44 50.05 1zts n ALA 115 Cb 0.24 -3.23 -0.13 0.00 0.00 0.00 0.00 19.45 16.33 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 2.52 3.78 0.33 0.00 3.68 -1.26 -5.11 116.67 120.61 1zts s ASP 116 Ca 0.61 -3.04 0.00 0.00 2.13 0.00 0.00 52.55 52.25 1zts s ASP 116 Cb 0.16 -1.22 0.00 0.00 -1.45 0.00 0.00 42.92 40.41 1zts s ASP 116 CO -0.05 -0.21 0.00 -0.81 0.13 0.00 0.00 175.17 174.23 1zts n PRO 117 N 3.01 0.34 -0.91 4.34 -0.04 -1.26 -4.79 135.00 135.68 1zts n PRO 117 Ca 0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 1zts n PRO 117 Cb 0.36 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.73 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 -0.99 5.42 -0.01 3.54 -0.08 -1.26 -3.93 116.55 119.24 1zts n ASP 118 Ca 0.00 -2.36 0.07 0.00 -1.51 0.00 0.00 54.79 51.00 1zts n ASP 118 Cb 0.00 -1.23 -0.11 0.00 2.34 0.00 0.00 41.12 42.12 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 3.14 0.15 0.00 -2.67 -0.00 -1.26 -4.89 117.00 111.47 1zts n LEU 119 Ca 0.47 -0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1zts n LEU 119 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1zts n LEU 119 CO 0.42 0.04 0.00 1.21 -0.00 0.00 0.00 177.39 179.06 1zts n GLU 120 N -1.88 -1.62 -1.09 1.47 2.13 -1.25 -4.75 120.64 113.65 1zts n GLU 120 Ca -0.02 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.49 1zts n GLU 120 Cb 0.36 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.03 1zts n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1zts n GLY 121 N 0.32 3.76 3.78 8.31 0.00 -1.26 -4.92 105.19 115.18 1zts n GLY 121 Ca 0.00 -1.25 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 2.48 4.10 -1.24 -0.61 1.09 -1.26 -3.31 121.20 122.45 1zts s ILE 122 Ca 0.59 1.76 0.00 0.00 -1.10 0.00 0.00 60.65 61.90 1zts s ILE 122 Cb 0.16 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1zts s ILE 122 CO -0.05 0.16 0.00 1.21 -0.10 0.00 0.00 174.94 176.16 1zts n GLU 123 N 0.57 -1.37 -0.13 2.79 2.13 -1.26 -4.83 120.64 118.54 1zts n GLU 123 Ca 0.02 0.88 -0.27 0.00 0.66 0.00 0.00 57.16 58.46 1zts n GLU 123 Cb 0.50 -5.13 -0.11 0.00 0.27 0.00 0.00 31.44 26.97 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 0.09 4.31 0.00 -1.21 -4.33 120.51 121.69 1zts n ALA 124 Ca -0.12 -0.94 -0.06 0.00 0.00 0.00 0.00 53.44 52.32 1zts n ALA 124 Cb 0.52 -0.09 0.07 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.87 0.20 -0.80 0.00 1.63 -1.88 -3.21 116.57 111.63 1zts h LYS 125 Ca -0.60 -0.17 0.14 0.00 -0.85 0.00 0.00 60.65 59.17 1zts h LYS 125 Cb 1.58 0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 33.16 1zts h LYS 125 CO -0.33 0.84 0.39 0.28 -3.45 0.00 0.00 179.45 177.18 1zts h VAL 126 N 0.13 0.73 0.00 2.00 2.07 -1.93 0.28 116.25 119.54 1zts h VAL 126 Ca -0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1zts h VAL 126 Cb 1.28 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1zts h VAL 126 CO 0.11 0.11 -0.24 0.03 0.02 0.00 0.00 177.57 177.59 1zts h ARG 127 N 0.58 0.00 0.03 1.57 3.08 -1.75 0.24 114.38 118.12 1zts h ARG 127 Ca 0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.48 1zts h ARG 127 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1zts h ARG 127 CO -0.36 0.24 -0.01 1.98 -1.07 0.00 0.00 179.97 180.75 1zts h MET 128 N 0.00 -0.04 0.00 0.04 4.05 -0.77 -3.25 114.93 114.97 1zts h MET 128 Ca -0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1zts h MET 128 Cb 0.45 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1zts h MET 128 CO 0.03 0.35 -0.03 0.07 0.23 0.00 0.00 176.91 177.56 1zts h ARG 129 N -0.99 0.00 -1.93 0.39 -0.00 -0.60 -2.69 114.38 108.56 1zts h ARG 129 Ca -0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 59.98 59.28 1zts h ARG 129 Cb 0.40 0.00 -0.34 0.00 -0.00 0.00 0.00 29.97 30.03 1zts h ARG 129 CO 0.01 0.03 0.27 0.45 -0.00 0.00 0.00 179.97 180.72 1zts n SER 130 N -3.92 6.21 -4.57 0.08 2.88 0.07 -5.01 113.62 109.36 1zts n SER 130 Ca -0.03 -3.76 -0.29 0.00 -1.33 0.00 0.00 58.87 53.46 1zts n SER 130 Cb 0.11 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 62.65 1zts n SER 130 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1zts s ILE 131 N -5.02 3.27 0.00 2.46 2.07 -1.02 -4.82 121.20 118.14 1zts s ILE 131 Ca 0.48 -1.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 1zts s ILE 131 Cb 0.36 -2.55 0.00 0.00 0.13 0.00 0.00 42.46 40.41 1zts s ILE 131 CO -0.26 0.06 0.77 0.18 -1.91 0.00 0.00 174.94 173.78 1zts n LEU 132 N 0.56 0.00 -3.88 8.50 4.77 -1.26 -4.86 117.00 120.83 1zts n LEU 132 Ca -0.13 0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 56.35 1zts n LEU 132 Cb 0.53 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1zts n LEU 132 CO 0.33 -0.27 -0.02 1.21 -1.33 0.00 0.00 177.39 177.31 1zts n GLU 133 N -1.62 -4.74 -1.65 3.23 2.13 -1.26 -4.83 120.64 111.90 1zts n GLU 133 Ca 0.00 0.55 -0.49 0.00 0.66 0.00 0.00 57.16 57.88 1zts n GLU 133 Cb 0.00 -5.19 -0.05 0.00 0.27 0.00 0.00 31.44 26.47 1zts n GLU 133 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1zts n HIS 134 N -4.47 2.04 0.06 4.31 -0.00 -1.26 -4.61 115.22 111.29 1zts n HIS 134 Ca -0.13 0.36 0.00 0.00 0.46 0.00 0.00 57.72 58.41 1zts n HIS 134 Cb 0.60 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 1zts n HIS 134 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1zts n HIS 135 N 3.72 -2.47 -2.30 1.57 -0.00 -1.26 -5.08 115.22 109.39 1zts n HIS 135 Ca 0.19 0.43 -0.41 0.00 -0.00 0.00 0.00 57.72 57.93 1zts n HIS 135 Cb 0.25 1.31 -0.03 0.00 -0.00 0.00 0.00 29.99 31.53 1zts n HIS 135 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1zts s HIS 136 N -2.00 2.15 -0.36 1.57 3.76 -1.26 -4.81 115.29 114.34 1zts s HIS 136 Ca 0.00 0.53 -0.06 0.00 -0.15 0.00 0.00 55.06 55.39 1zts s HIS 136 Cb 0.00 -4.32 0.21 0.00 1.11 0.00 0.00 32.58 29.58 1zts s HIS 136 CO 0.00 -2.12 1.07 -1.58 -0.85 0.00 0.00 174.74 171.25 1zts s HIS 137 N 6.52 -0.43 0.23 1.40 5.04 -1.26 -5.17 115.29 121.62 1zts s HIS 137 Ca 0.57 -0.13 -0.03 0.00 -1.54 0.00 0.00 55.06 53.93 1zts s HIS 137 Cb -0.12 0.08 0.01 0.00 0.04 0.00 0.00 32.58 32.59 1zts s HIS 137 CO 0.26 -0.34 0.35 -2.39 -2.34 0.00 0.00 174.74 170.28 1zts n HIS 138 N 2.70 -1.26 0.07 3.88 1.44 -1.26 -5.29 115.22 115.51 1zts n HIS 138 Ca 0.12 -1.44 0.01 0.00 -2.01 0.00 0.00 57.72 54.39 1zts n HIS 138 Cb 0.64 0.41 0.03 0.00 0.12 0.00 0.00 29.99 31.19 1zts n HIS 138 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25