#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 -1.62 4.03 4.77 -1.26 -4.83 117.00 118.09 1zts n LEU 2 Ca 0.00 -2.72 0.02 0.00 -0.03 0.00 0.00 56.01 53.28 1zts n LEU 2 Cb 0.00 2.43 0.01 0.00 -2.33 0.00 0.00 43.42 43.53 1zts n LEU 2 CO 0.00 -0.62 0.10 0.00 -1.33 0.00 0.00 177.39 175.54 1zts n LEU 3 N 0.00 0.77 -4.90 2.23 -0.00 -1.26 -5.11 117.00 108.73 1zts n LEU 3 Ca 0.01 -2.14 -0.23 0.00 -0.00 0.00 0.00 56.01 53.64 1zts n LEU 3 Cb 0.56 0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 44.03 1zts n LEU 3 CO 0.28 0.71 0.05 0.27 -0.00 0.00 0.00 177.39 178.70 1zts s ILE 4 N -0.44 2.14 0.01 1.47 -4.36 -1.26 -5.14 121.20 113.62 1zts s ILE 4 Ca 0.28 -1.39 0.04 0.00 -0.26 0.00 0.00 60.65 59.33 1zts s ILE 4 Cb 0.33 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 41.48 1zts s ILE 4 CO -0.13 0.00 -0.12 0.28 0.24 0.00 0.00 174.94 175.21 1zts s THR 5 N -2.63 3.28 -1.01 8.37 -1.32 -1.26 -5.00 115.64 116.06 1zts s THR 5 Ca 0.43 -0.89 0.14 0.00 -1.21 0.00 0.00 61.69 60.16 1zts s THR 5 Cb -0.03 -2.39 0.12 0.00 -1.51 0.00 0.00 72.50 68.70 1zts s THR 5 CO 0.26 0.41 1.45 -0.81 -2.21 0.00 0.00 174.62 173.72 1zts n PRO 6 N 1.69 0.00 0.07 7.08 -0.04 -1.26 -2.44 135.00 140.10 1zts n PRO 6 Ca -0.16 0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1zts n PRO 6 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.00 0.27 3.54 -0.00 -1.94 -3.29 116.42 114.99 1zts h ASP 7 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.03 56.79 1zts h ASP 7 Cb 0.24 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.58 1zts h ASP 7 CO 0.00 0.97 -0.97 -0.33 -0.00 0.00 0.00 179.24 178.91 1zts h GLU 8 N 0.00 0.47 -0.53 0.28 4.39 -1.91 -2.86 114.58 114.43 1zts h GLU 8 Ca -0.01 -0.51 0.09 0.00 0.34 0.00 0.00 59.36 59.27 1zts h GLU 8 Cb 1.72 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 30.44 1zts h GLU 8 CO 0.13 1.16 0.11 1.25 -1.16 0.00 0.00 179.01 180.49 1zts h LEU 9 N 0.27 -0.01 -0.47 1.33 5.85 -1.63 0.25 115.31 120.91 1zts h LEU 9 Ca -0.09 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 1zts h LEU 9 Cb 1.61 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 1zts h LEU 9 CO 0.17 0.02 -0.55 0.07 -0.34 0.00 0.00 178.44 177.81 1zts h LYS 10 N 0.24 0.62 -0.39 1.25 2.10 -1.65 0.27 116.57 119.01 1zts h LYS 10 Ca 0.27 -0.39 -0.06 0.00 -2.00 0.00 0.00 60.65 58.47 1zts h LYS 10 Cb 0.38 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.74 1zts h LYS 10 CO -0.35 1.01 0.00 1.03 -2.00 0.00 0.00 179.45 179.14 1zts h SER 11 N 0.48 0.58 0.02 7.07 0.87 -1.03 -3.23 113.55 118.30 1zts h SER 11 Ca 0.01 -0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.29 1zts h SER 11 Cb 1.11 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 1zts h SER 11 CO 0.11 0.65 -0.86 0.22 -0.53 0.00 0.00 176.83 176.41 1zts h TYR 12 N 0.58 0.06 -4.07 2.24 3.20 -0.45 -3.47 116.97 115.05 1zts h TYR 12 Ca 0.12 -0.05 -0.50 0.00 3.14 0.00 0.00 58.73 61.44 1zts h TYR 12 Cb 0.37 -0.00 0.19 0.00 1.54 0.00 0.00 36.73 38.83 1zts h TYR 12 CO 0.01 1.34 0.19 0.45 -1.64 0.00 0.00 178.16 178.52 1zts s SER 13 N -6.67 2.72 -0.03 -2.11 0.15 0.93 -4.98 113.70 103.72 1zts s SER 13 Ca -0.24 2.00 0.09 0.00 0.70 0.00 0.00 55.95 58.49 1zts s SER 13 Cb 0.03 -2.50 -0.14 0.00 -1.71 0.00 0.00 66.02 61.70 1zts s SER 13 CO 0.65 -3.20 0.17 1.33 1.20 0.00 0.00 173.24 173.39 1zts n VAL 14 N -4.28 0.13 -1.68 4.45 0.24 -1.26 -4.84 118.33 111.09 1zts n VAL 14 Ca 0.10 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1zts n VAL 14 Cb 0.53 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.92 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 -2.56 1.29 0.62 6.34 0.08 -1.26 -4.83 117.98 117.67 1zts s PHE 15 Ca -0.04 0.02 0.35 0.00 0.12 0.00 0.00 56.93 57.38 1zts s PHE 15 Cb 0.05 -4.10 2.04 0.00 -0.57 0.00 0.00 43.02 40.44 1zts s PHE 15 CO 0.38 -4.78 2.28 1.05 -0.10 0.00 0.00 175.22 174.05 1zts h GLU 16 N 12.41 0.00 -0.58 0.44 4.11 -1.98 -1.43 114.58 127.55 1zts h GLU 16 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.90 1zts h GLU 16 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1zts h GLU 16 CO 0.95 0.00 0.03 0.77 0.07 0.00 0.00 179.01 180.83 1zts h SER 17 N 0.00 0.95 0.51 3.06 0.02 -1.93 0.25 113.55 116.41 1zts h SER 17 Ca 0.01 -0.24 -0.18 0.00 -0.84 0.00 0.00 61.79 60.53 1zts h SER 17 Cb 0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1zts h SER 17 CO -0.00 0.99 -0.81 0.58 -1.14 0.00 0.00 176.83 176.45 1zts h VAL 18 N 0.91 1.46 0.00 2.27 2.07 -1.51 -2.72 116.25 118.73 1zts h VAL 18 Ca 0.17 -2.44 -0.11 0.00 0.82 0.00 0.00 66.70 65.14 1zts h VAL 18 Cb 0.49 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1zts h VAL 18 CO 0.02 0.71 -0.52 0.11 0.02 0.00 0.00 177.57 177.91 1zts h LYS 19 N 0.13 0.00 -0.04 1.57 1.57 -1.28 -3.30 116.57 115.22 1zts h LYS 19 Ca -0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1zts h LYS 19 Cb 1.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.72 1zts h LYS 19 CO 0.12 0.52 -0.57 1.79 -0.57 0.00 0.00 179.45 180.75 1zts h THR 20 N 0.00 1.40 -3.71 -0.16 1.35 -0.47 -3.46 112.91 107.86 1zts h THR 20 Ca -0.01 -1.97 -0.54 0.00 -0.55 0.00 0.00 66.41 63.35 1zts h THR 20 Cb 1.40 2.42 0.20 0.00 -1.73 0.00 0.00 68.15 70.43 1zts h THR 20 CO 0.07 0.58 -0.19 0.54 -0.25 0.00 0.00 175.52 176.27 1zts n ARG 21 N -4.22 -0.11 -0.02 4.72 1.74 -1.03 -5.00 116.66 112.75 1zts n ARG 21 Ca -0.09 0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 1zts n ARG 21 Cb 0.65 -2.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1zts n ARG 21 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1zts n PRO 22 N -2.35 -1.07 -0.02 5.56 -0.04 -1.26 -4.91 135.00 130.92 1zts n PRO 22 Ca 0.10 -0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1zts n PRO 22 Cb 0.52 -0.03 -0.13 0.00 -0.04 0.00 0.00 33.50 33.82 1zts n PRO 22 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1zts n ASP 23 N -3.03 0.28 0.10 3.54 8.00 -1.26 -3.20 116.55 120.98 1zts n ASP 23 Ca 0.00 0.12 -0.04 0.00 0.71 0.00 0.00 54.79 55.58 1zts n ASP 23 Cb 0.01 1.13 0.11 0.00 -0.02 0.00 0.00 41.12 42.35 1zts n ASP 23 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1zts h GLU 24 N 0.00 0.14 0.08 -1.24 4.57 -1.99 -3.03 114.58 113.10 1zts h GLU 24 Ca -0.20 -0.11 -0.32 0.00 -1.18 0.00 0.00 59.36 57.55 1zts h GLU 24 Cb 1.50 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.09 1zts h GLU 24 CO 0.02 0.75 -1.77 -0.07 -1.18 0.00 0.00 179.01 176.76 1zts h LEU 25 N 0.10 0.28 -0.87 1.64 3.38 -1.96 -3.30 115.31 114.57 1zts h LEU 25 Ca -0.01 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.50 1zts h LEU 25 Cb 1.19 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 1zts h LEU 25 CO 0.10 1.47 0.53 -0.07 0.09 0.00 0.00 178.44 180.56 1zts h LEU 26 N 0.05 0.81 -0.84 1.67 3.38 -1.59 -1.25 115.31 117.55 1zts h LEU 26 Ca -0.33 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1zts h LEU 26 Cb 2.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1zts h LEU 26 CO 0.11 0.50 -0.29 0.07 0.09 0.00 0.00 178.44 178.91 1zts h LYS 27 N 0.93 0.53 0.03 1.13 2.10 -1.68 -2.81 116.57 116.81 1zts h LYS 27 Ca 0.39 -0.22 0.01 0.00 -2.00 0.00 0.00 60.65 58.83 1zts h LYS 27 Cb 0.25 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.54 1zts h LYS 27 CO -0.20 0.77 -0.07 1.96 -2.00 0.00 0.00 179.45 179.91 1zts h GLN 28 N 0.46 -0.13 -0.08 0.07 4.20 -1.32 -1.10 115.11 117.21 1zts h GLN 28 Ca 0.06 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1zts h GLN 28 Cb 0.74 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1zts h GLN 28 CO 0.06 -0.09 -0.05 -0.44 -0.67 0.00 0.00 178.83 177.64 1zts h ASP 29 N -0.14 0.10 -0.17 1.46 3.32 -1.40 -2.65 116.42 116.94 1zts h ASP 29 Ca 0.02 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1zts h ASP 29 Cb 0.16 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1zts h ASP 29 CO -0.06 0.17 -0.06 0.40 -1.72 0.00 0.00 179.24 177.97 1zts h ILE 30 N 0.11 1.30 -0.28 0.35 2.04 -1.10 -2.75 117.51 117.17 1zts h ILE 30 Ca 0.03 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.91 1zts h ILE 30 Cb 0.16 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1zts h ILE 30 CO 0.01 0.32 0.24 -0.07 0.00 0.00 0.00 178.15 178.64 1zts h LEU 31 N 0.03 0.00 -0.06 1.44 3.38 -0.87 0.19 115.31 119.43 1zts h LEU 31 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1zts h LEU 31 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1zts h LEU 31 CO 0.02 0.00 -0.42 -0.08 0.09 0.00 0.00 178.44 178.05 1zts h GLU 32 N 0.00 0.00 -0.15 1.13 4.57 -1.37 -3.29 114.58 115.47 1zts h GLU 32 Ca 0.13 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.15 1zts h GLU 32 Cb 0.61 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1zts h GLU 32 CO -0.00 0.42 -0.54 0.00 -1.18 0.00 0.00 179.01 177.71 1zts h ALA 33 N 1.58 0.26 -0.10 2.92 0.00 -0.34 -3.07 119.26 120.51 1zts h ALA 33 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.42 1zts h ALA 33 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1zts h ALA 33 CO 0.06 0.47 0.21 0.00 0.00 0.00 0.00 179.25 179.98 1zts h THR 34 N 0.28 0.22 0.00 0.00 1.03 -1.53 0.88 112.91 113.80 1zts h THR 34 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.32 1zts h THR 34 Cb 1.17 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.06 1zts h THR 34 CO 0.11 0.00 -0.27 0.00 -0.01 0.00 0.00 175.52 175.35 1zts h ALA 35 N 1.68 1.42 0.09 0.00 0.00 -1.65 -1.13 119.26 119.67 1zts h ALA 35 Ca 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1zts h ALA 35 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1zts h ALA 35 CO -0.00 0.34 -0.04 0.22 0.00 0.00 0.00 179.25 179.77 1zts h ASP 36 N 0.00 -0.10 0.07 0.00 3.58 -0.97 -2.88 116.42 116.12 1zts h ASP 36 Ca -0.00 -0.35 0.02 0.00 0.42 0.00 0.00 57.03 57.12 1zts h ASP 36 Cb 0.52 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1zts h ASP 36 CO 0.04 0.53 -0.16 0.40 -2.88 0.00 0.00 179.24 177.17 1zts h ILE 37 N -0.97 0.63 -0.95 2.25 2.04 -1.54 -2.08 117.51 116.88 1zts h ILE 37 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1zts h ILE 37 Cb 0.44 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 1zts h ILE 37 CO 0.02 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.17 1zts h ILE 38 N -0.30 0.87 0.00 -0.67 2.04 -1.36 0.26 117.51 118.35 1zts h ILE 38 Ca 0.03 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1zts h ILE 38 Cb 0.33 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1zts h ILE 38 CO -0.10 0.15 -0.10 -0.07 0.00 0.00 0.00 178.15 178.03 1zts h LEU 39 N 0.84 0.00 -0.02 1.44 3.38 -1.16 0.23 115.31 120.03 1zts h LEU 39 Ca 0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.38 1zts h LEU 39 Cb 0.62 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.38 1zts h LEU 39 CO -0.24 0.10 -0.27 0.11 0.09 0.00 0.00 178.44 178.22 1zts h LYS 40 N 0.00 0.21 0.00 1.13 1.57 0.03 -3.28 116.57 116.23 1zts h LYS 40 Ca -0.00 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 1zts h LYS 40 Cb 0.36 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1zts h LYS 40 CO 0.01 0.91 -0.23 -0.39 -0.57 0.00 0.00 179.45 179.18 1zts h VAL 41 N -0.41 0.41 -0.52 0.50 -1.51 -1.25 -3.45 116.25 110.03 1zts h VAL 41 Ca -0.03 -1.52 -0.02 0.00 -1.23 0.00 0.00 66.70 63.90 1zts h VAL 41 Cb 1.00 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1zts h VAL 41 CO 0.05 0.23 -0.03 0.61 -1.23 0.00 0.00 177.57 177.20 1zts n GLY 42 N 1.06 0.51 3.64 5.19 0.00 0.78 -4.39 105.19 111.97 1zts n GLY 42 Ca 0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.37 -0.21 0.45 1.61 -3.43 -1.00 -5.04 115.29 105.31 1zts s HIS 43 Ca 0.01 0.51 0.08 0.00 -0.80 0.00 0.00 55.06 54.85 1zts s HIS 43 Cb -0.00 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.61 1zts s HIS 43 CO 0.01 -0.11 0.62 0.16 -2.00 0.00 0.00 174.74 173.42 1zts s ASP 44 N -0.03 5.54 -0.82 7.38 -4.77 -1.26 -4.70 116.67 118.01 1zts s ASP 44 Ca 0.06 -0.44 -0.01 0.00 -3.30 0.00 0.00 52.55 48.86 1zts s ASP 44 Cb -0.04 -0.55 0.35 0.00 -1.09 0.00 0.00 42.92 41.59 1zts s ASP 44 CO -0.11 -0.88 1.87 0.49 0.70 0.00 0.00 175.17 177.24 1zts n PHE 45 N -1.95 3.03 -0.05 2.11 3.72 -1.26 -4.69 117.46 118.36 1zts n PHE 45 Ca 0.09 -2.49 -0.14 0.00 -0.05 0.00 0.00 57.45 54.87 1zts n PHE 45 Cb 0.59 -1.04 -0.07 0.00 -0.94 0.00 0.00 39.48 38.02 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1zts h SER 46 N 3.11 0.42 -1.79 4.37 0.87 -1.96 -3.44 113.55 115.13 1zts h SER 46 Ca 0.52 -0.52 -0.68 0.00 -1.23 0.00 0.00 61.79 59.89 1zts h SER 46 Cb 0.18 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1zts h SER 46 CO 1.32 0.86 0.96 0.47 -0.53 0.00 0.00 176.83 179.91 1zts n ASP 47 N -4.49 2.84 0.24 6.23 10.43 -1.26 -4.83 116.55 125.71 1zts n ASP 47 Ca -0.06 1.03 0.10 0.00 2.57 0.00 0.00 54.79 58.43 1zts n ASP 47 Cb 0.41 -1.26 0.59 0.00 1.84 0.00 0.00 41.12 42.70 1zts n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zts h ALA 48 N 7.89 1.24 -0.31 2.24 0.00 -2.02 -1.72 119.26 126.57 1zts h ALA 48 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1zts h ALA 48 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1zts h ALA 48 CO 0.94 0.24 0.00 -1.91 0.00 0.00 0.00 179.25 178.52 1zts n GLU 49 N -3.66 1.88 -3.05 0.00 2.13 -1.26 -4.25 120.64 112.43 1zts n GLU 49 Ca -0.01 -1.35 -0.15 0.00 0.66 0.00 0.00 57.16 56.30 1zts n GLU 49 Cb 0.32 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 30.68 1zts n GLU 49 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1zts n TYR 50 N 0.58 -0.76 -3.30 4.31 9.36 -0.65 -5.01 117.16 121.68 1zts n TYR 50 Ca 0.15 -3.30 -0.31 0.00 3.32 0.00 0.00 57.90 57.75 1zts n TYR 50 Cb 0.35 0.21 -0.06 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.32 3.20 -2.23 2.97 5.41 -1.22 -4.63 119.36 123.17 1zts n ILE 51 Ca 0.19 -5.43 -0.41 0.00 1.00 0.00 0.00 62.75 58.10 1zts n ILE 51 Cb 0.67 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.48 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 4.40 -0.44 0.38 0.04 -1.26 -5.00 135.00 130.54 1zts s PRO 52 Ca 0.38 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1zts s PRO 52 Cb 0.12 -3.18 0.20 0.00 0.04 0.00 0.00 34.50 31.68 1zts s PRO 52 CO 0.02 -0.21 0.44 -0.11 0.04 0.00 0.00 177.00 177.18 1zts n LEU 53 N 2.38 0.30 0.00 -3.56 7.94 -1.26 -5.07 117.00 117.72 1zts n LEU 53 Ca 0.05 -4.62 0.00 0.00 -1.11 0.00 0.00 56.01 50.33 1zts n LEU 53 Cb 0.43 0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1zts n LEU 53 CO 0.58 1.93 0.00 -0.81 -1.11 0.00 0.00 177.39 177.98 1zts n PRO 54 N 2.16 -0.88 0.11 1.96 -0.04 -1.26 -4.88 135.00 132.17 1zts n PRO 54 Ca 0.26 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1zts n PRO 54 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.00 0.54 4.81 -2.00 -3.23 114.58 114.70 1zts h GLU 55 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1zts h GLU 55 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1zts h GLU 55 CO 0.00 0.31 -0.02 1.79 -0.73 0.00 0.00 179.01 180.36 1zts h THR 56 N 0.00 1.61 -0.37 0.32 1.35 -1.93 -3.16 112.91 110.73 1zts h THR 56 Ca -0.06 -1.80 0.03 0.00 -0.55 0.00 0.00 66.41 64.04 1zts h THR 56 Cb 1.36 2.82 -0.03 0.00 -1.73 0.00 0.00 68.15 70.57 1zts h THR 56 CO 0.04 0.47 0.16 0.58 -0.25 0.00 0.00 175.52 176.53 1zts h VAL 57 N -0.74 0.95 -0.70 6.82 2.07 -1.82 0.22 116.25 123.04 1zts h VAL 57 Ca -0.00 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1zts h VAL 57 Cb 0.78 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1zts h VAL 57 CO 0.00 0.06 0.24 -0.09 0.02 0.00 0.00 177.57 177.81 1zts h ARG 58 N 0.34 0.37 -0.07 1.57 2.43 -1.66 0.32 114.38 117.68 1zts h ARG 58 Ca 0.16 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1zts h ARG 58 Cb 0.09 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1zts h ARG 58 CO -0.13 0.24 -0.32 1.25 -1.51 0.00 0.00 179.97 179.50 1zts h LEU 59 N 0.38 0.41 -0.66 3.80 5.85 -1.39 -1.52 115.31 122.18 1zts h LEU 59 Ca 0.38 -0.65 0.13 0.00 0.84 0.00 0.00 57.88 58.58 1zts h LEU 59 Cb 0.57 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 1zts h LEU 59 CO -0.40 0.99 0.19 0.00 -0.34 0.00 0.00 178.44 178.87 1zts h ALA 60 N 0.43 0.84 -0.13 1.25 0.00 0.12 0.29 119.26 122.06 1zts h ALA 60 Ca -0.02 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1zts h ALA 60 Cb 0.98 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1zts h ALA 60 CO 0.07 -0.27 -0.62 1.25 0.00 0.00 0.00 179.25 179.68 1zts h LEU 61 N 0.32 0.78 -1.86 0.00 7.12 -1.01 -2.99 115.31 117.67 1zts h LEU 61 Ca 0.35 -0.63 0.09 0.00 0.13 0.00 0.00 57.88 57.82 1zts h LEU 61 Cb 0.53 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.42 1zts h LEU 61 CO -0.41 1.28 0.28 -0.07 -0.13 0.00 0.00 178.44 179.39 1zts h LEU 62 N 0.32 0.14 -0.08 2.25 3.38 -0.41 0.29 115.31 121.21 1zts h LEU 62 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1zts h LEU 62 Cb 1.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1zts h LEU 62 CO 0.13 0.09 -0.32 0.11 0.09 0.00 0.00 178.44 178.54 1zts h LYS 63 N 0.16 0.35 -0.11 1.13 1.57 -0.92 -3.18 116.57 115.58 1zts h LYS 63 Ca 0.19 -0.28 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1zts h LYS 63 Cb 0.54 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1zts h LYS 63 CO -0.03 0.91 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.24 1zts h LEU 64 N -0.13 0.28 -0.88 2.94 3.38 -1.20 -2.68 115.31 117.02 1zts h LEU 64 Ca -0.02 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1zts h LEU 64 Cb 0.96 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 1zts h LEU 64 CO 0.07 0.70 0.54 0.28 0.09 0.00 0.00 178.44 180.11 1zts h SER 65 N 0.21 0.83 0.78 -0.43 0.02 -0.48 -1.49 113.55 112.99 1zts h SER 65 Ca 0.01 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.80 1zts h SER 65 Cb 0.89 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1zts h SER 65 CO 0.07 0.51 -0.88 -0.61 -1.14 0.00 0.00 176.83 174.78 1zts h GLN 66 N 0.95 0.06 0.03 3.45 -0.00 -1.51 -2.54 115.11 115.55 1zts h GLN 66 Ca 0.40 -0.08 0.02 0.00 -0.00 0.00 0.00 58.65 58.99 1zts h GLN 66 Cb 0.25 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 1zts h GLN 66 CO -0.20 0.90 -0.15 0.35 0.00 0.00 0.00 178.83 179.73 1zts h PHE 67 N 0.03 -0.39 -0.01 3.99 3.04 -0.95 0.72 116.94 123.37 1zts h PHE 67 Ca -0.02 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1zts h PHE 67 Cb 1.54 0.17 0.00 0.00 2.56 0.00 0.00 35.95 40.22 1zts h PHE 67 CO 0.01 -0.23 -0.02 1.88 -2.02 0.00 0.00 178.31 177.94 1zts h TYR 68 N -0.27 0.03 -0.60 0.41 0.05 -1.52 -3.04 116.97 112.03 1zts h TYR 68 Ca 0.04 -0.01 0.17 0.00 0.05 0.00 0.00 58.73 58.98 1zts h TYR 68 Cb 0.32 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 1zts h TYR 68 CO -0.19 0.62 0.48 0.00 -1.05 0.00 0.00 178.16 178.02 1zts h ALA 69 N 0.41 2.47 -0.09 3.88 0.00 -1.40 0.13 119.26 124.66 1zts h ALA 69 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1zts h ALA 69 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1zts h ALA 69 CO 0.00 -0.79 -0.26 1.25 0.00 0.00 0.00 179.25 179.45 1zts h LEU 70 N 0.00 0.39 -3.48 0.00 5.85 -0.79 -3.19 115.31 114.09 1zts h LEU 70 Ca 0.28 -0.60 -0.26 0.00 0.84 0.00 0.00 57.88 58.15 1zts h LEU 70 Cb 1.25 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 42.01 1zts h LEU 70 CO -0.00 0.92 0.33 2.30 -0.34 0.00 0.00 178.44 181.64 1zts n ILE 71 N -4.47 2.66 -0.03 4.05 -5.35 -0.21 -3.81 119.36 112.20 1zts n ILE 71 Ca -0.08 -1.45 -0.19 0.00 -0.27 0.00 0.00 62.75 60.77 1zts n ILE 71 Cb 0.46 -0.45 -0.14 0.00 -1.74 0.00 0.00 39.64 37.77 1zts n ILE 71 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1zts n ASN 72 N -0.31 1.89 -2.19 7.28 2.85 0.29 -4.64 115.26 120.43 1zts n ASN 72 Ca 0.40 0.16 0.01 0.00 -0.11 0.00 0.00 54.58 55.03 1zts n ASN 72 Cb 1.32 -0.62 0.04 0.00 1.24 0.00 0.00 39.78 41.75 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1zts n GLY 73 N 1.99 1.41 0.28 8.20 0.00 -1.26 -4.87 105.19 110.94 1zts n GLY 73 Ca -0.33 -0.89 0.19 0.00 0.00 0.00 0.00 46.02 44.99 1zts n GLY 73 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1zts h ASP 74 N 1.76 0.00 -5.90 1.61 1.82 -1.82 -3.46 116.42 110.42 1zts h ASP 74 Ca -0.21 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.08 1zts h ASP 74 Cb 1.54 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.69 1zts h ASP 74 CO 0.11 0.00 -0.90 1.21 -1.61 0.00 0.00 179.24 178.05 1zts n GLU 75 N -2.83 -1.88 0.00 0.28 2.13 -1.26 -4.73 120.64 112.35 1zts n GLU 75 Ca -0.02 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1zts n GLU 75 Cb 0.09 -4.89 0.00 0.00 0.27 0.00 0.00 31.44 26.91 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 -2.92 0.00 -4.78 4.31 2.88 -1.26 -5.14 113.62 106.71 1zts n SER 76 Ca -0.10 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.03 1zts n SER 76 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 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 -0.51 2.23 -0.58 2.46 1.01 -1.26 -4.98 121.20 119.58 1zts s ILE 77 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.85 1zts s ILE 77 Cb 0.00 -3.15 0.15 0.00 0.01 0.00 0.00 42.46 39.47 1zts s ILE 77 CO 0.00 0.05 0.39 -0.63 0.00 0.00 0.00 174.94 174.76 1zts s ILE 78 N -1.07 3.64 0.00 2.92 1.09 -1.26 -4.98 121.20 121.54 1zts s ILE 78 Ca 0.52 -2.74 0.00 0.00 -1.10 0.00 0.00 60.65 57.33 1zts s ILE 78 Cb -0.45 -3.40 0.00 0.00 -1.06 0.00 0.00 42.46 37.55 1zts s ILE 78 CO 0.60 -0.84 0.00 2.29 -0.10 0.00 0.00 174.94 176.89 1zts n LYS 79 N 3.75 0.45 0.00 2.79 2.85 -1.26 -4.16 118.16 122.57 1zts n LYS 79 Ca 0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1zts n LYS 79 Cb 0.39 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 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 5.00 -1.57 0.00 2.58 0.00 -1.26 -5.05 105.19 104.89 1zts n GLY 80 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -0.01 -1.01 1.61 9.36 -1.26 -4.99 117.16 120.86 1zts n TYR 81 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 1zts n TYR 81 Cb 0.00 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 0.00 0.00 -2.55 2.97 -1.04 -1.26 -4.80 114.28 107.60 1zts n THR 82 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1zts n THR 82 Cb 0.00 -0.49 -0.01 0.00 -1.82 0.00 0.00 70.33 68.01 1zts n THR 82 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1zts n THR 83 N -2.54 0.00 -1.15 12.58 -1.04 -1.26 -4.80 114.28 116.07 1zts n THR 83 Ca -0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.95 1zts n THR 83 Cb 0.23 -0.07 -0.02 0.00 -1.82 0.00 0.00 70.33 68.65 1zts n THR 83 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1zts n GLU 84 N -1.57 -1.36 -3.78 -2.82 2.13 -1.26 -4.92 120.64 107.06 1zts n GLU 84 Ca 0.00 0.60 -0.29 0.00 0.66 0.00 0.00 57.16 58.13 1zts n GLU 84 Cb 0.09 -4.73 -0.12 0.00 0.27 0.00 0.00 31.44 26.95 1zts n GLU 84 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1zts s LYS 85 N -2.10 1.82 -0.06 5.31 1.02 -1.26 -5.09 119.74 119.38 1zts s LYS 85 Ca 0.00 -2.66 0.01 0.00 0.02 0.00 0.00 55.97 53.33 1zts s LYS 85 Cb 0.00 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 1zts s LYS 85 CO 0.00 -1.23 -0.06 0.42 -0.92 0.00 0.00 175.35 173.55 1zts s ILE 86 N -0.52 3.74 -1.13 2.17 -1.09 -1.26 -4.55 121.20 118.56 1zts s ILE 86 Ca 0.23 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 58.14 1zts s ILE 86 Cb -0.13 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1zts s ILE 86 CO -0.09 0.58 0.08 0.61 -1.23 0.00 0.00 174.94 174.88 1zts n GLY 87 N 2.14 -0.50 1.61 6.18 0.00 -1.26 -4.94 105.19 108.42 1zts n GLY 87 Ca -0.18 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1zts n GLY 87 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zts n ASP 88 N -1.89 -1.11 -2.08 1.61 -0.08 -1.26 -4.95 116.55 106.78 1zts n ASP 88 Ca -0.13 -0.90 -0.12 0.00 -1.51 0.00 0.00 54.79 52.13 1zts n ASP 88 Cb 0.61 -0.45 0.27 0.00 2.34 0.00 0.00 41.12 43.88 1zts n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zts n TYR 89 N -3.38 2.67 -3.55 -0.67 -0.00 -1.26 -4.66 117.16 106.31 1zts n TYR 89 Ca 0.07 -1.42 -0.27 0.00 -0.00 0.00 0.00 57.90 56.28 1zts n TYR 89 Cb 0.26 -0.78 -0.10 0.00 -0.00 0.00 0.00 39.34 38.73 1zts n TYR 89 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1zts n SER 90 N -0.48 2.03 -3.64 2.98 7.64 -1.26 -4.91 113.62 115.97 1zts n SER 90 Ca 0.47 -3.02 -0.29 0.00 1.01 0.00 0.00 58.87 57.05 1zts n SER 90 Cb 1.49 -0.67 -0.12 0.00 -1.01 0.00 0.00 64.21 63.89 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 -1.39 1.77 0.85 1.43 1.51 -1.25 -4.17 117.35 116.11 1zts s TYR 91 Ca 0.32 -2.35 -0.14 0.00 -1.01 0.00 0.00 57.07 53.89 1zts s TYR 91 Cb 0.06 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1zts s TYR 91 CO -0.12 -0.78 0.40 2.41 -1.11 0.00 0.00 175.55 176.35 1zts n THR 92 N 3.40 0.79 0.02 -0.71 -1.04 -1.26 -3.55 114.28 111.94 1zts n THR 92 Ca 0.13 -0.30 0.01 0.00 -2.04 0.00 0.00 64.05 61.85 1zts n THR 92 Cb 0.37 -0.64 -0.01 0.00 -1.82 0.00 0.00 70.33 68.23 1zts n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1zts n LEU 93 N -0.62 0.02 0.00 -4.42 4.77 0.11 -4.44 117.00 112.42 1zts n LEU 93 Ca 0.08 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1zts n LEU 93 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1zts n LEU 93 CO 0.51 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1zts n GLY 94 N 1.99 1.76 0.77 -0.72 0.00 -1.26 -4.91 105.19 102.81 1zts n GLY 94 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1zts n GLY 94 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1zts n ASP 95 N 0.00 2.82 0.00 1.61 9.92 -1.26 -4.93 116.55 124.70 1zts n ASP 95 Ca 0.00 -1.83 0.00 0.00 -0.53 0.00 0.00 54.79 52.43 1zts n ASP 95 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zts n GLY 96 N 0.91 0.93 3.76 0.44 0.00 -1.26 -5.09 105.19 104.88 1zts n GLY 96 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.15 5.74 -0.18 1.61 0.01 -1.26 -4.94 113.70 112.53 1zts s SER 97 Ca 0.00 0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.62 1zts s SER 97 Cb 0.00 -1.76 0.56 0.00 0.21 0.00 0.00 66.02 65.03 1zts s SER 97 CO 0.00 0.37 1.41 -1.20 0.41 0.00 0.00 173.24 174.23 1zts n SER 98 N 2.21 4.23 -2.81 2.44 7.64 -1.26 0.09 113.62 126.16 1zts n SER 98 Ca -0.19 -2.71 -0.02 0.00 1.01 0.00 0.00 58.87 56.96 1zts n SER 98 Cb 0.54 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.31 -6.24 -4.77 -3.43 7.94 -1.23 -3.84 117.00 105.74 1zts n LEU 99 Ca 0.22 1.49 -0.38 0.00 -1.11 0.00 0.00 56.01 56.23 1zts n LEU 99 Cb 0.96 -2.80 -0.00 0.00 0.53 0.00 0.00 43.42 42.11 1zts n LEU 99 CO 0.25 -3.16 0.89 0.00 -1.11 0.00 0.00 177.39 174.27 1zts s GLN 100 N -1.00 3.79 0.80 1.96 -2.07 -1.26 -4.93 119.66 116.96 1zts s GLN 100 Ca -0.09 1.97 -0.11 0.00 -1.82 0.00 0.00 55.36 55.31 1zts s GLN 100 Cb 0.01 -2.54 0.07 0.00 -1.09 0.00 0.00 33.01 29.46 1zts s GLN 100 CO 0.55 -0.58 1.10 0.15 -1.32 0.00 0.00 175.29 175.19 1zts s LYS 101 N -2.51 2.02 0.35 9.60 3.01 -1.26 -4.99 119.74 125.96 1zts s LYS 101 Ca 0.61 1.19 -0.27 0.00 -1.01 0.00 0.00 55.97 56.49 1zts s LYS 101 Cb -0.34 -1.87 -0.09 0.00 -1.01 0.00 0.00 37.83 34.52 1zts s LYS 101 CO 0.42 -1.82 1.21 -1.25 0.51 0.00 0.00 175.35 174.42 1zts s PRO 102 N -4.87 4.28 -1.14 -1.68 0.04 -1.26 -4.91 135.00 125.46 1zts s PRO 102 Ca 0.62 1.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.47 1zts s PRO 102 Cb -0.18 -2.93 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 1zts s PRO 102 CO 0.56 -0.17 2.05 -3.47 0.04 0.00 0.00 177.00 176.02 1zts n ASP 103 N 0.58 3.33 -1.62 6.66 4.64 -1.26 -4.60 116.55 124.28 1zts n ASP 103 Ca 0.02 -2.77 0.06 0.00 -1.38 0.00 0.00 54.79 50.72 1zts n ASP 103 Cb 0.44 -1.44 0.33 0.00 -1.04 0.00 0.00 41.12 39.41 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1zts n VAL 104 N 5.72 2.18 -0.00 5.18 0.24 -1.26 -4.39 118.33 125.99 1zts n VAL 104 Ca 0.50 -1.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.55 1zts n VAL 104 Cb 0.40 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.41 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 3.31 -0.05 -0.03 6.34 3.20 -1.98 -2.91 116.97 124.86 1zts h TYR 105 Ca 0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1zts h TYR 105 Cb 1.66 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.95 1zts h TYR 105 CO 0.87 0.48 0.03 0.00 -1.64 0.00 0.00 178.16 177.90 1zts h ALA 106 N 0.31 1.55 0.15 1.82 0.00 -1.99 0.11 119.26 121.20 1zts h ALA 106 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1zts h ALA 106 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1zts h ALA 106 CO 0.01 -0.05 -0.07 -0.07 0.00 0.00 0.00 179.25 179.07 1zts h LEU 107 N 0.00 -0.17 0.00 0.00 3.38 -1.82 -3.15 115.31 113.55 1zts h LEU 107 Ca 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1zts h LEU 107 Cb 0.08 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1zts h LEU 107 CO -0.00 0.34 0.00 2.30 0.09 0.00 0.00 178.44 181.17 1zts n ILE 108 N -4.94 0.04 0.16 1.22 -5.35 -0.98 -3.60 119.36 105.90 1zts n ILE 108 Ca -0.08 0.01 0.19 0.00 -0.27 0.00 0.00 62.75 62.59 1zts n ILE 108 Cb 0.27 -0.53 0.80 0.00 -1.74 0.00 0.00 39.64 38.43 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 0.00 0.00 0.00 6.28 3.64 -0.74 0.36 116.57 126.12 1zts h LYS 109 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1zts h LYS 109 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1zts h LYS 109 CO 0.00 0.00 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.65 1zts h ASP 110 N 0.00 0.00 0.00 4.20 3.32 -1.76 -3.09 116.42 119.10 1zts h ASP 110 Ca 0.13 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1zts h ASP 110 Cb 0.76 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1zts h ASP 110 CO -0.00 0.09 -1.48 -1.22 -1.72 0.00 0.00 179.24 174.92 1zts n TYR 111 N -3.75 0.00 -1.67 4.55 4.02 0.76 -5.00 117.16 116.08 1zts n TYR 111 Ca -0.02 0.00 -0.53 0.00 -0.01 0.00 0.00 57.90 57.34 1zts n TYR 111 Cb 0.20 -0.32 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1zts n TYR 111 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1zts n VAL 112 N -2.15 0.40 -1.44 -0.72 0.31 0.92 -4.76 118.33 110.90 1zts n VAL 112 Ca -0.09 -0.10 -0.49 0.00 -0.01 0.00 0.00 64.34 63.64 1zts n VAL 112 Cb 0.60 -1.53 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 1zts n VAL 112 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1zts n LYS 113 N 6.25 0.83 -1.18 5.55 4.81 -1.26 -4.91 118.16 128.25 1zts n LYS 113 Ca 0.27 0.20 -0.29 0.00 -0.87 0.00 0.00 58.31 57.61 1zts n LYS 113 Cb 0.20 -2.35 0.16 0.00 0.02 0.00 0.00 35.03 33.07 1zts n LYS 113 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1zts s PRO 114 N 6.71 0.70 -0.38 1.64 0.04 -1.26 -5.03 135.00 137.41 1zts s PRO 114 Ca 1.13 0.62 0.12 0.00 0.04 0.00 0.00 61.00 62.90 1zts s PRO 114 Cb -0.91 -1.76 0.39 0.00 0.04 0.00 0.00 34.50 32.26 1zts s PRO 114 CO 0.49 -2.57 1.05 0.00 0.04 0.00 0.00 177.00 176.00 1zts n ALA 115 N -4.08 1.59 -2.44 8.56 0.00 -1.26 -5.13 120.51 117.75 1zts n ALA 115 Ca 0.06 -2.32 -0.25 0.00 0.00 0.00 0.00 53.44 50.93 1zts n ALA 115 Cb 0.56 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 1zts n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1zts s ASP 116 N -2.03 3.21 0.42 0.00 -0.00 -1.26 -5.15 116.67 111.86 1zts s ASP 116 Ca 0.27 -0.87 0.00 0.00 -0.00 0.00 0.00 52.55 51.95 1zts s ASP 116 Cb 0.38 -0.23 0.00 0.00 -0.00 0.00 0.00 42.92 43.07 1zts s ASP 116 CO -0.04 0.07 0.00 -0.81 -0.00 0.00 0.00 175.17 174.39 1zts n PRO 117 N 0.25 0.15 -0.30 8.23 -0.04 -1.26 -4.89 135.00 137.13 1zts n PRO 117 Ca -0.12 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1zts n PRO 117 Cb 0.56 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.17 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 -1.27 2.54 0.13 3.54 2.03 -1.26 -4.25 116.55 118.02 1zts n ASP 118 Ca 0.00 -2.28 0.19 0.00 0.52 0.00 0.00 54.79 53.22 1zts n ASP 118 Cb 0.00 -0.50 0.78 0.00 -0.72 0.00 0.00 41.12 40.68 1zts n ASP 118 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1zts h LEU 119 N 1.53 0.00 0.00 -2.67 8.10 -2.03 -3.42 115.31 116.82 1zts h LEU 119 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1zts h LEU 119 Cb 0.93 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.16 1zts h LEU 119 CO 0.15 0.00 -0.01 1.21 -4.11 0.00 0.00 178.44 175.68 1zts n GLU 120 N -3.81 -2.15 -1.67 0.17 2.13 -1.26 -4.77 120.64 109.28 1zts n GLU 120 Ca 0.05 -0.10 -0.42 0.00 0.66 0.00 0.00 57.16 57.35 1zts n GLU 120 Cb 0.49 -0.13 -0.03 0.00 0.27 0.00 0.00 31.44 32.04 1zts n GLU 120 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1zts s GLY 121 N -2.10 0.36 0.02 8.31 0.00 -1.26 -4.95 107.32 107.70 1zts s GLY 121 Ca 0.05 0.50 0.04 0.00 0.00 0.00 0.00 44.72 45.31 1zts s GLY 121 CO 0.04 3.77 -0.11 -0.42 0.00 0.00 0.00 173.10 176.38 1zts s ILE 122 N 8.87 0.86 -1.38 0.90 -1.09 -1.26 -4.74 121.20 123.36 1zts s ILE 122 Ca 0.96 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1zts s ILE 122 Cb -0.28 -0.78 0.00 0.00 -1.58 0.00 0.00 42.46 39.83 1zts s ILE 122 CO 0.33 0.03 0.00 1.21 -1.23 0.00 0.00 174.94 175.28 1zts n GLU 123 N 2.24 -1.40 -0.09 2.79 2.13 -1.26 -4.82 120.64 120.23 1zts n GLU 123 Ca -0.17 0.94 -0.18 0.00 0.66 0.00 0.00 57.16 58.41 1zts n GLU 123 Cb 0.56 -5.22 -0.13 0.00 0.27 0.00 0.00 31.44 26.92 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 1.24 1.29 0.09 4.31 0.00 -1.26 -3.94 120.51 122.24 1zts n ALA 124 Ca -0.13 -0.97 -0.22 0.00 0.00 0.00 0.00 53.44 52.12 1zts n ALA 124 Cb 0.55 -0.28 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 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 0.02 0.39 -0.61 0.00 3.64 -1.91 -3.30 116.57 114.80 1zts h LYS 125 Ca -0.53 -0.67 -0.02 0.00 -1.27 0.00 0.00 60.65 58.17 1zts h LYS 125 Cb 1.96 0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 34.00 1zts h LYS 125 CO -0.03 1.30 0.31 0.28 -2.27 0.00 0.00 179.45 179.04 1zts h VAL 126 N 0.11 1.19 0.00 2.00 2.07 -1.96 0.11 116.25 119.77 1zts h VAL 126 Ca -0.30 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1zts h VAL 126 Cb 2.09 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1zts h VAL 126 CO 0.19 0.22 -0.28 0.03 0.02 0.00 0.00 177.57 177.76 1zts h ARG 127 N 0.85 0.00 0.00 1.57 3.08 -1.68 -0.26 114.38 117.94 1zts h ARG 127 Ca 0.21 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1zts h ARG 127 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1zts h ARG 127 CO -0.03 0.28 -0.57 1.98 -1.07 0.00 0.00 179.97 180.55 1zts h MET 128 N 0.00 0.00 0.00 0.04 4.05 -1.38 -3.21 114.93 114.43 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 0.55 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1zts h MET 128 CO 0.04 0.80 -0.05 0.00 0.23 0.00 0.00 176.91 177.93 1zts h ARG 129 N -1.00 0.00 -1.65 0.39 3.08 -0.83 -2.69 114.38 111.68 1zts h ARG 129 Ca -0.15 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.27 1zts h ARG 129 Cb 0.98 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.65 1zts h ARG 129 CO -0.09 0.05 -0.29 0.43 -1.07 0.00 0.00 179.97 179.01 1zts n SER 130 N -3.94 5.40 -4.80 7.04 7.64 -0.11 -5.03 113.62 119.81 1zts n SER 130 Ca -0.03 -3.75 -0.30 0.00 1.01 0.00 0.00 58.87 55.81 1zts n SER 130 Cb 0.14 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 -5.41 4.64 0.00 0.44 2.07 -1.02 -4.83 121.20 117.09 1zts s ILE 131 Ca 0.49 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.95 1zts s ILE 131 Cb 0.41 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.73 1zts s ILE 131 CO -0.24 0.08 0.00 0.18 -1.91 0.00 0.00 174.94 173.05 1zts n LEU 132 N 0.28 0.42 0.00 8.50 4.77 -1.26 -5.06 117.00 124.64 1zts n LEU 132 Ca -0.08 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1zts n LEU 132 Cb 0.52 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1zts n LEU 132 CO 0.45 -0.28 0.00 -0.62 -1.33 0.00 0.00 177.39 175.61 1zts n GLU 133 N -1.83 0.00 -3.10 3.23 1.02 -1.26 -5.09 120.64 113.62 1zts n GLU 133 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1zts n GLU 133 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1zts n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1zts n HIS 134 N -2.18 -3.00 -0.03 -0.32 8.25 -1.26 -4.98 115.22 111.69 1zts n HIS 134 Ca 0.00 1.17 -0.04 0.00 -0.26 0.00 0.00 57.72 58.59 1zts n HIS 134 Cb 0.00 -3.91 -0.03 0.00 1.12 0.00 0.00 29.99 27.17 1zts n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1zts n HIS 135 N -1.47 0.00 -2.55 4.41 -0.00 -1.26 -4.80 115.22 109.55 1zts n HIS 135 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.62 1zts n HIS 135 Cb 0.52 -0.23 0.04 0.00 -0.00 0.00 0.00 29.99 30.31 1zts n HIS 135 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1zts n HIS 136 N -2.65 1.81 -2.73 1.57 -0.00 -1.26 -4.94 115.22 107.02 1zts n HIS 136 Ca -0.11 -2.23 -0.42 0.00 -0.00 0.00 0.00 57.72 54.96 1zts n HIS 136 Cb 0.62 -0.27 0.01 0.00 -0.00 0.00 0.00 29.99 30.35 1zts n HIS 136 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1zts n HIS 137 N -0.60 2.51 -4.12 1.57 -0.00 -1.26 -4.95 115.22 108.37 1zts n HIS 137 Ca 0.20 -2.60 -0.31 0.00 -0.00 0.00 0.00 57.72 55.02 1zts n HIS 137 Cb 0.85 -1.34 -0.16 0.00 -0.00 0.00 0.00 29.99 29.34 1zts n HIS 137 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1zts s HIS 138 N -2.99 2.29 0.00 1.57 3.76 -1.26 -5.12 115.29 113.53 1zts s HIS 138 Ca 0.37 -1.28 0.00 0.00 -0.15 0.00 0.00 55.06 54.00 1zts s HIS 138 Cb 0.12 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.16 1zts s HIS 138 CO -0.01 -0.67 0.00 -2.39 -0.85 0.00 0.00 174.74 170.82