#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 -0.86 -1.06 4.03 7.99 -1.26 -4.84 117.00 121.00 1zts n LEU 2 Ca 0.00 1.95 0.02 0.00 -0.01 0.00 0.00 56.01 57.96 1zts n LEU 2 Cb 0.00 -4.67 0.01 0.00 -0.11 0.00 0.00 43.42 38.64 1zts n LEU 2 CO 0.00 -3.23 0.16 0.18 -1.51 0.00 0.00 177.39 172.99 1zts n LEU 3 N -4.33 0.45 -5.01 2.23 4.32 -1.26 -5.11 117.00 108.29 1zts n LEU 3 Ca -0.03 -1.60 -0.19 0.00 -0.02 0.00 0.00 56.01 54.17 1zts n LEU 3 Cb 0.68 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.52 1zts n LEU 3 CO 0.03 0.51 0.29 0.27 -1.22 0.00 0.00 177.39 177.27 1zts s ILE 4 N 0.00 2.57 -0.00 -0.08 -4.36 -1.26 -5.12 121.20 112.94 1zts s ILE 4 Ca 0.18 -0.92 0.05 0.00 -0.26 0.00 0.00 60.65 59.70 1zts s ILE 4 Cb 0.20 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1zts s ILE 4 CO -0.09 0.00 -0.15 0.28 0.24 0.00 0.00 174.94 175.22 1zts s THR 5 N -2.59 3.04 -0.83 8.37 -1.32 -1.26 -5.01 115.64 116.04 1zts s THR 5 Ca 0.59 -0.92 0.17 0.00 -1.21 0.00 0.00 61.69 60.32 1zts s THR 5 Cb -0.08 -2.25 0.16 0.00 -1.51 0.00 0.00 72.50 68.82 1zts s THR 5 CO 0.37 0.46 1.54 -0.81 -2.21 0.00 0.00 174.62 173.97 1zts n PRO 6 N 1.88 0.06 0.07 7.08 -0.04 -1.26 -2.46 135.00 140.34 1zts n PRO 6 Ca -0.16 0.31 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1zts n PRO 6 Cb 0.52 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.05 0.64 3.54 3.58 -1.95 -3.26 116.42 119.02 1zts h ASP 7 Ca 0.00 -0.05 -0.18 0.00 0.42 0.00 0.00 57.03 57.22 1zts h ASP 7 Cb 0.28 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1zts h ASP 7 CO 0.00 1.00 -0.81 -0.33 -2.88 0.00 0.00 179.24 176.22 1zts h GLU 8 N 0.01 0.12 -0.37 0.28 4.39 -1.91 -2.82 114.58 114.28 1zts h GLU 8 Ca -0.02 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1zts h GLU 8 Cb 1.72 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.38 1zts h GLU 8 CO 0.13 0.86 0.22 1.25 -1.16 0.00 0.00 179.01 180.31 1zts h LEU 9 N 0.07 0.36 -0.68 1.33 5.85 -1.60 0.76 115.31 121.40 1zts h LEU 9 Ca -0.03 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 1zts h LEU 9 Cb 1.41 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 1zts h LEU 9 CO 0.12 0.26 -0.56 0.07 -0.34 0.00 0.00 178.44 177.99 1zts h LYS 10 N 0.44 0.29 -0.19 1.25 2.10 -1.63 0.27 116.57 119.11 1zts h LYS 10 Ca 0.14 -0.18 -0.11 0.00 -2.00 0.00 0.00 60.65 58.50 1zts h LYS 10 Cb -0.00 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1zts h LYS 10 CO -0.06 0.77 -0.36 1.03 -2.00 0.00 0.00 179.45 178.83 1zts h SER 11 N 0.22 0.42 0.01 7.07 0.87 -1.17 -3.29 113.55 117.69 1zts h SER 11 Ca 0.00 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 60.21 1zts h SER 11 Cb 1.05 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 1zts h SER 11 CO 0.09 0.75 -0.97 0.22 -0.53 0.00 0.00 176.83 176.39 1zts h TYR 12 N 0.35 0.05 -4.18 2.24 5.03 -0.74 -3.47 116.97 116.24 1zts h TYR 12 Ca 0.04 -0.04 -0.50 0.00 2.58 0.00 0.00 58.73 60.81 1zts h TYR 12 Cb 0.80 -0.00 0.14 0.00 1.55 0.00 0.00 36.73 39.22 1zts h TYR 12 CO 0.02 1.38 0.28 -1.54 -1.32 0.00 0.00 178.16 176.98 1zts s SER 13 N -6.72 3.90 -0.04 -2.11 1.04 0.94 -4.99 113.70 105.72 1zts s SER 13 Ca -0.25 1.65 0.10 0.00 0.48 0.00 0.00 55.95 57.93 1zts s SER 13 Cb 0.03 -2.34 -0.15 0.00 0.10 0.00 0.00 66.02 63.67 1zts s SER 13 CO 0.64 -2.40 0.17 1.33 0.98 0.00 0.00 173.24 173.96 1zts n VAL 14 N -3.74 0.21 -1.49 5.02 0.24 -1.26 -4.78 118.33 112.53 1zts n VAL 14 Ca 0.08 -0.30 -0.46 0.00 -2.04 0.00 0.00 64.34 61.63 1zts n VAL 14 Cb 0.54 -0.05 -0.07 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.02 1.47 0.11 6.34 0.99 -1.26 -4.77 117.46 118.32 1zts n PHE 15 Ca -0.06 0.21 0.19 0.00 -0.00 0.00 0.00 57.45 57.79 1zts n PHE 15 Cb 0.44 -2.56 0.76 0.00 -1.00 0.00 0.00 39.48 37.13 1zts n PHE 15 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1zts h GLU 16 N 14.13 0.00 -0.61 -1.08 4.81 -1.98 0.29 114.58 130.14 1zts h GLU 16 Ca -0.25 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.91 1zts h GLU 16 Cb 1.30 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 1zts h GLU 16 CO 1.09 0.00 0.09 0.66 -0.73 0.00 0.00 179.01 180.12 1zts h SER 17 N 0.00 0.95 0.52 1.04 4.64 -1.96 0.25 113.55 118.99 1zts h SER 17 Ca 0.17 -0.22 -0.18 0.00 -0.47 0.00 0.00 61.79 61.08 1zts h SER 17 Cb 0.84 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1zts h SER 17 CO -0.00 0.96 -0.81 0.58 -0.87 0.00 0.00 176.83 176.69 1zts h VAL 18 N 0.94 1.46 0.00 0.95 2.07 -1.25 -2.49 116.25 117.93 1zts h VAL 18 Ca 0.19 -2.45 -0.07 0.00 0.82 0.00 0.00 66.70 65.19 1zts h VAL 18 Cb 0.42 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1zts h VAL 18 CO 0.01 0.72 -0.33 0.11 0.02 0.00 0.00 177.57 178.10 1zts h LYS 19 N 0.13 0.00 0.11 1.57 1.57 -1.20 -3.31 116.57 115.44 1zts h LYS 19 Ca -0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1zts h LYS 19 Cb 1.41 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.74 1zts h LYS 19 CO 0.12 0.32 -0.79 1.79 -0.57 0.00 0.00 179.45 180.33 1zts h THR 20 N 0.00 1.48 -3.34 -0.16 1.35 -0.46 -3.47 112.91 108.31 1zts h THR 20 Ca -0.00 -2.42 -0.54 0.00 -0.55 0.00 0.00 66.41 62.89 1zts h THR 20 Cb 1.25 3.03 0.20 0.00 -1.73 0.00 0.00 68.15 70.90 1zts h THR 20 CO 0.04 0.69 -0.50 0.54 -0.25 0.00 0.00 175.52 176.04 1zts n ARG 21 N -4.13 -0.05 -0.32 4.72 1.74 -0.95 -4.99 116.66 112.69 1zts n ARG 21 Ca -0.13 0.03 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 1zts n ARG 21 Cb 0.80 -1.85 0.08 0.00 -1.02 0.00 0.00 32.46 30.46 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 -1.32 -1.66 -0.04 5.56 -0.04 -1.26 -4.95 135.00 131.29 1zts n PRO 22 Ca 0.08 -0.53 -0.15 0.00 -0.04 0.00 0.00 63.50 62.86 1zts n PRO 22 Cb 0.52 -0.50 -0.14 0.00 -0.04 0.00 0.00 33.50 33.34 1zts n PRO 22 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1zts n ASP 23 N -3.57 1.38 -0.27 3.54 5.75 -1.26 -3.51 116.55 118.61 1zts n ASP 23 Ca 0.05 0.21 -0.06 0.00 -0.01 0.00 0.00 54.79 54.98 1zts n ASP 23 Cb 0.18 -0.28 0.06 0.00 -1.03 0.00 0.00 41.12 40.05 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1zts h GLU 24 N 0.03 1.09 -0.11 0.11 4.11 -2.00 -2.23 114.58 115.57 1zts h GLU 24 Ca -0.41 -0.17 -0.05 0.00 0.07 0.00 0.00 59.36 58.80 1zts h GLU 24 Cb 2.04 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 31.10 1zts h GLU 24 CO 0.05 0.86 -0.11 -0.07 0.07 0.00 0.00 179.01 179.82 1zts h LEU 25 N 1.06 0.28 -0.68 3.06 3.38 -1.97 -3.13 115.31 117.32 1zts h LEU 25 Ca 0.25 -0.48 0.13 0.00 0.09 0.00 0.00 57.88 57.87 1zts h LEU 25 Cb 0.15 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1zts h LEU 25 CO -0.03 0.71 0.23 -0.07 0.09 0.00 0.00 178.44 179.37 1zts h LEU 26 N -0.13 0.17 -0.44 1.67 3.38 -1.57 -1.17 115.31 117.22 1zts h LEU 26 Ca 0.02 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1zts h LEU 26 Cb 0.63 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1zts h LEU 26 CO 0.03 0.07 0.10 0.11 0.09 0.00 0.00 178.44 178.84 1zts h LYS 27 N 0.37 0.24 -0.65 1.13 1.57 -1.40 -0.79 116.57 117.04 1zts h LYS 27 Ca 0.36 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 1zts h LYS 27 Cb 0.54 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1zts h LYS 27 CO -0.39 0.16 0.30 1.96 -0.57 0.00 0.00 179.45 180.90 1zts h GLN 28 N 0.24 0.52 -0.40 3.15 4.20 -1.17 -1.96 115.11 119.69 1zts h GLN 28 Ca 0.22 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 1zts h GLN 28 Cb 0.26 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1zts h GLN 28 CO -0.27 0.34 0.16 -0.44 -0.67 0.00 0.00 178.83 177.95 1zts h ASP 29 N 0.53 0.55 -0.63 1.46 3.45 -0.88 -2.38 116.42 118.52 1zts h ASP 29 Ca 0.31 -0.16 0.17 0.00 0.43 0.00 0.00 57.03 57.78 1zts h ASP 29 Cb 0.33 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.92 1zts h ASP 29 CO -0.26 0.56 0.44 0.40 -1.57 0.00 0.00 179.24 178.81 1zts h ILE 30 N 0.50 0.72 0.00 0.35 2.04 -0.43 0.26 117.51 120.94 1zts h ILE 30 Ca 0.13 -0.03 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1zts h ILE 30 Cb 0.18 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1zts h ILE 30 CO -0.01 0.02 -0.77 -0.07 0.00 0.00 0.00 178.15 177.32 1zts h LEU 31 N 0.09 0.00 0.00 1.44 3.38 -0.95 -2.94 115.31 116.34 1zts h LEU 31 Ca 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 1zts h LEU 31 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1zts h LEU 31 CO -0.03 0.77 -0.48 -0.08 0.09 0.00 0.00 178.44 178.70 1zts h GLU 32 N 0.00 0.00 0.07 1.13 4.81 -0.25 -3.30 114.58 117.03 1zts h GLU 32 Ca -0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 1zts h GLU 32 Cb 1.48 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.89 1zts h GLU 32 CO 0.10 0.46 -1.13 0.00 -0.73 0.00 0.00 179.01 177.72 1zts h ALA 33 N 1.53 0.05 -0.10 2.92 0.00 -1.04 -3.19 119.26 119.43 1zts h ALA 33 Ca -0.01 -0.73 0.03 0.00 0.00 0.00 0.00 54.91 54.20 1zts h ALA 33 Cb 1.36 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1zts h ALA 33 CO 0.06 0.66 0.21 0.00 0.00 0.00 0.00 179.25 180.18 1zts h THR 34 N 0.30 0.21 0.00 0.00 1.03 -1.59 0.75 112.91 113.60 1zts h THR 34 Ca -0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.19 1zts h THR 34 Cb 1.79 0.81 -0.01 0.00 -1.07 0.00 0.00 68.15 69.68 1zts h THR 34 CO 0.22 0.00 -0.25 0.00 -0.01 0.00 0.00 175.52 175.48 1zts h ALA 35 N 1.67 1.50 0.04 0.00 0.00 -1.67 -1.45 119.26 119.36 1zts h ALA 35 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zts h ALA 35 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1zts h ALA 35 CO -0.00 0.31 -0.02 0.22 0.00 0.00 0.00 179.25 179.76 1zts h ASP 36 N 0.00 -0.05 0.03 0.00 3.58 -1.02 -2.73 116.42 116.24 1zts h ASP 36 Ca -0.00 -0.62 0.02 0.00 0.42 0.00 0.00 57.03 56.85 1zts h ASP 36 Cb 0.46 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1zts h ASP 36 CO 0.03 0.70 -0.14 0.40 -2.88 0.00 0.00 179.24 177.36 1zts h ILE 37 N -0.90 0.67 -0.56 2.25 2.04 -1.53 -1.96 117.51 117.51 1zts h ILE 37 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1zts h ILE 37 Cb 0.66 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1zts h ILE 37 CO 0.01 0.00 0.37 0.40 0.00 0.00 0.00 178.15 178.93 1zts h ILE 38 N -0.25 1.03 0.00 -0.67 2.04 -1.41 0.29 117.51 118.54 1zts h ILE 38 Ca 0.04 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1zts h ILE 38 Cb 0.29 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1zts h ILE 38 CO -0.11 0.11 -0.07 -0.07 0.00 0.00 0.00 178.15 178.00 1zts h LEU 39 N 0.59 0.00 0.07 1.44 3.38 -1.03 0.25 115.31 120.00 1zts h LEU 39 Ca 0.24 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 1zts h LEU 39 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1zts h LEU 39 CO -0.07 0.07 -0.70 0.11 0.09 0.00 0.00 178.44 177.95 1zts h LYS 40 N 0.00 0.14 0.00 1.13 1.57 -0.55 -3.33 116.57 115.53 1zts h LYS 40 Ca -0.00 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1zts h LYS 40 Cb 0.31 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1zts h LYS 40 CO 0.01 1.11 -0.27 -0.39 -0.57 0.00 0.00 179.45 179.35 1zts h VAL 41 N -0.67 0.57 -1.24 0.50 -1.51 -1.26 -3.46 116.25 109.18 1zts h VAL 41 Ca -0.15 -1.35 -0.09 0.00 -1.23 0.00 0.00 66.70 63.88 1zts h VAL 41 Cb 1.39 1.93 0.01 0.00 -2.13 0.00 0.00 31.29 32.48 1zts h VAL 41 CO 0.03 0.26 -0.13 0.61 -1.23 0.00 0.00 177.57 177.11 1zts n GLY 42 N 0.46 0.37 3.64 5.19 0.00 0.88 -1.41 105.19 114.31 1zts n GLY 42 Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.58 -0.22 0.49 1.61 -3.43 -1.11 -4.87 115.29 105.19 1zts s HIS 43 Ca 0.05 0.50 0.08 0.00 -0.80 0.00 0.00 55.06 54.89 1zts s HIS 43 Cb -0.02 0.44 0.03 0.00 -1.43 0.00 0.00 32.58 31.60 1zts s HIS 43 CO 0.07 -0.12 0.57 0.16 -2.00 0.00 0.00 174.74 173.41 1zts s ASP 44 N -0.16 5.14 -0.71 7.38 3.84 -1.26 -4.71 116.67 126.19 1zts s ASP 44 Ca 0.05 -0.79 0.03 0.00 -0.00 0.00 0.00 52.55 51.84 1zts s ASP 44 Cb -0.04 -0.13 0.35 0.00 -1.38 0.00 0.00 42.92 41.72 1zts s ASP 44 CO -0.10 -0.99 1.35 0.49 -0.00 0.00 0.00 175.17 175.93 1zts n PHE 45 N -1.89 3.46 0.01 2.11 3.01 -1.26 -4.76 117.46 118.13 1zts n PHE 45 Ca 0.08 -3.23 -0.19 0.00 1.01 0.00 0.00 57.45 55.12 1zts n PHE 45 Cb 0.61 -0.69 -0.14 0.00 -0.01 0.00 0.00 39.48 39.25 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1zts h SER 46 N 3.23 0.32 -1.54 4.37 0.87 -1.97 -3.44 113.55 115.39 1zts h SER 46 Ca 0.33 -0.95 -0.67 0.00 -1.23 0.00 0.00 61.79 59.27 1zts h SER 46 Cb 0.47 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1zts h SER 46 CO 1.00 1.31 1.19 0.47 -0.53 0.00 0.00 176.83 180.27 1zts n ASP 47 N -4.25 2.68 0.32 6.23 8.00 -1.26 -4.79 116.55 123.47 1zts n ASP 47 Ca -0.14 0.75 0.20 0.00 0.71 0.00 0.00 54.79 56.31 1zts n ASP 47 Cb 0.73 -1.28 1.08 0.00 -0.02 0.00 0.00 41.12 41.64 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 10.21 1.21 -0.61 2.24 0.00 -2.02 0.42 119.26 130.71 1zts h ALA 48 Ca -0.39 -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 -0.07 0.26 -0.85 0.00 0.00 0.00 179.25 179.57 1zts n GLU 49 N -3.26 3.03 -2.69 0.00 0.28 -1.26 -4.37 120.64 112.37 1zts n GLU 49 Ca -0.02 -2.41 -0.05 0.00 -0.16 0.00 0.00 57.16 54.52 1zts n GLU 49 Cb 0.14 -2.01 0.10 0.00 1.43 0.00 0.00 31.44 31.10 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 -1.36 -3.36 -1.84 -0.00 0.14 -5.06 117.16 105.53 1zts n TYR 50 Ca 0.34 -1.25 -0.31 0.00 -0.00 0.00 0.00 57.90 56.68 1zts n TYR 50 Cb 1.21 1.35 -0.06 0.00 -0.00 0.00 0.00 39.34 41.83 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 0.48 3.03 -2.26 2.97 5.41 -1.22 -4.63 119.36 123.14 1zts n ILE 51 Ca -0.01 -5.37 -0.35 0.00 1.00 0.00 0.00 62.75 58.01 1zts n ILE 51 Cb 0.73 -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 -2.48 3.42 -0.46 0.38 0.04 -1.26 -5.03 135.00 129.62 1zts s PRO 52 Ca 0.37 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.11 1zts s PRO 52 Cb 0.11 -2.07 0.20 0.00 0.04 0.00 0.00 34.50 32.78 1zts s PRO 52 CO 0.01 -0.80 0.56 -0.11 0.04 0.00 0.00 177.00 176.70 1zts n LEU 53 N -1.16 -1.74 0.00 -3.56 7.94 -1.26 -5.06 117.00 112.16 1zts n LEU 53 Ca 0.11 -3.78 -0.01 0.00 -1.11 0.00 0.00 56.01 51.22 1zts n LEU 53 Cb 0.50 0.67 0.01 0.00 0.53 0.00 0.00 43.42 45.13 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 2.56 -1.11 0.14 1.96 -0.04 -1.26 -4.89 135.00 132.36 1zts n PRO 54 Ca 0.22 -0.07 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1zts n PRO 54 Cb 0.53 -0.06 0.04 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.02 0.54 4.81 -2.00 -3.23 114.58 114.68 1zts h GLU 55 Ca -0.02 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1zts h GLU 55 Cb 0.05 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1zts h GLU 55 CO 0.01 0.16 -0.29 1.79 -0.73 0.00 0.00 179.01 179.96 1zts h THR 56 N 0.00 1.50 0.05 0.32 1.35 -1.93 -3.04 112.91 111.16 1zts h THR 56 Ca -0.03 -1.88 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1zts h THR 56 Cb 1.19 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1zts h THR 56 CO 0.02 0.52 -0.03 0.58 -0.25 0.00 0.00 175.52 176.37 1zts h VAL 57 N -0.39 0.98 -0.83 6.82 2.07 -1.83 0.19 116.25 123.26 1zts h VAL 57 Ca -0.03 -0.10 0.15 0.00 0.82 0.00 0.00 66.70 67.54 1zts h VAL 57 Cb 1.00 1.04 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 1zts h VAL 57 CO 0.06 0.02 0.40 -0.09 0.02 0.00 0.00 177.57 177.98 1zts h ARG 58 N -0.12 0.56 -0.18 1.57 2.43 -1.67 0.75 114.38 117.72 1zts h ARG 58 Ca -0.01 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1zts h ARG 58 Cb 0.10 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1zts h ARG 58 CO 0.01 0.37 -0.71 1.25 -1.51 0.00 0.00 179.97 179.38 1zts h LEU 59 N 0.57 0.93 -0.72 3.80 5.85 -1.37 -2.12 115.31 122.26 1zts h LEU 59 Ca 0.45 -0.61 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1zts h LEU 59 Cb 0.66 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1zts h LEU 59 CO -0.38 1.39 0.45 0.00 -0.34 0.00 0.00 178.44 179.57 1zts h ALA 60 N 0.57 0.94 -0.13 1.25 0.00 0.62 -1.24 119.26 121.27 1zts h ALA 60 Ca -0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1zts h ALA 60 Cb 1.34 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1zts h ALA 60 CO 0.15 0.25 -0.64 1.25 0.00 0.00 0.00 179.25 180.26 1zts h LEU 61 N 0.89 0.56 -0.84 0.00 7.12 -0.93 -2.37 115.31 119.74 1zts h LEU 61 Ca 0.29 -0.33 -0.03 0.00 0.13 0.00 0.00 57.88 57.94 1zts h LEU 61 Cb 0.00 -0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 39.93 1zts h LEU 61 CO -0.10 1.05 0.42 -0.07 -0.13 0.00 0.00 178.44 179.60 1zts h LEU 62 N 0.35 1.09 -0.43 2.25 3.38 -0.85 0.25 115.31 121.36 1zts h LEU 62 Ca -0.01 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 1zts h LEU 62 Cb 1.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1zts h LEU 62 CO 0.11 0.91 -0.70 0.11 0.09 0.00 0.00 178.44 178.97 1zts h LYS 63 N 1.20 0.42 -0.20 1.13 1.79 -1.21 -3.14 116.57 116.56 1zts h LYS 63 Ca 0.29 -0.33 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 1zts h LYS 63 Cb 0.10 0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1zts h LYS 63 CO -0.04 0.96 -0.69 -0.07 -1.08 0.00 0.00 179.45 178.53 1zts h LEU 64 N 0.29 0.93 -1.46 2.94 3.38 -1.05 -2.80 115.31 117.56 1zts h LEU 64 Ca -0.02 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.46 1zts h LEU 64 Cb 1.26 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1zts h LEU 64 CO 0.12 1.36 0.45 -1.28 0.09 0.00 0.00 178.44 179.19 1zts h SER 65 N 0.58 0.56 0.71 -0.43 0.87 -0.52 -0.73 113.55 114.59 1zts h SER 65 Ca -0.03 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 1zts h SER 65 Cb 1.31 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1zts h SER 65 CO 0.14 0.35 -0.88 -0.61 -0.53 0.00 0.00 176.83 175.30 1zts h GLN 66 N 0.64 0.11 0.08 2.24 4.15 -1.50 -1.97 115.11 118.86 1zts h GLN 66 Ca 0.31 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1zts h GLN 66 Cb 0.37 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1zts h GLN 66 CO -0.10 0.92 -0.04 0.35 -1.93 0.00 0.00 178.83 178.03 1zts h PHE 67 N 0.06 -0.10 0.06 3.99 3.04 -0.88 -1.32 116.94 121.78 1zts h PHE 67 Ca -0.03 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 1zts h PHE 67 Cb 1.53 0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.07 1zts h PHE 67 CO 0.02 0.12 -0.03 1.88 -2.02 0.00 0.00 178.31 178.28 1zts h TYR 68 N -0.32 -0.07 -0.47 0.41 0.05 -1.45 -2.99 116.97 112.13 1zts h TYR 68 Ca -0.01 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.90 1zts h TYR 68 Cb 0.27 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1zts h TYR 68 CO -0.01 0.40 0.41 0.00 -1.05 0.00 0.00 178.16 177.92 1zts h ALA 69 N 0.31 2.28 -0.08 3.88 0.00 -1.41 0.68 119.26 124.91 1zts h ALA 69 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1zts h ALA 69 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1zts h ALA 69 CO 0.01 -0.65 -0.15 1.25 0.00 0.00 0.00 179.25 179.71 1zts h LEU 70 N 0.00 0.28 -3.05 0.00 5.85 -1.12 -3.15 115.31 114.11 1zts h LEU 70 Ca 0.22 -0.55 -0.10 0.00 0.84 0.00 0.00 57.88 58.30 1zts h LEU 70 Cb 1.05 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1zts h LEU 70 CO -0.00 0.77 0.12 2.30 -0.34 0.00 0.00 178.44 181.29 1zts n ILE 71 N -4.60 2.21 -0.04 4.05 -5.35 -0.37 -3.33 119.36 111.93 1zts n ILE 71 Ca -0.07 -1.14 -0.01 0.00 -0.27 0.00 0.00 62.75 61.26 1zts n ILE 71 Cb 0.38 -0.41 -0.10 0.00 -1.74 0.00 0.00 39.64 37.77 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 0.17 2.03 -0.01 7.28 4.13 0.09 -4.66 115.26 124.29 1zts n ASN 72 Ca 0.27 0.00 0.03 0.00 1.68 0.00 0.00 54.58 56.56 1zts n ASN 72 Cb 1.06 1.13 -0.06 0.00 -1.54 0.00 0.00 39.78 40.38 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 2.05 -0.33 3.63 7.41 0.00 -1.23 -5.02 105.19 111.71 1zts n GLY 73 Ca -0.12 -0.17 -0.49 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.78 2.38 -2.08 1.61 4.64 -1.21 -4.86 116.55 115.25 1zts n ASP 74 Ca -0.02 1.11 -0.24 0.00 -1.38 0.00 0.00 54.79 54.25 1zts n ASP 74 Cb 0.22 -1.32 0.08 0.00 -1.04 0.00 0.00 41.12 39.06 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 2.86 2.20 -1.05 -0.67 2.13 -1.26 -4.00 120.64 120.85 1zts n GLU 75 Ca 0.17 -2.42 0.01 0.00 0.66 0.00 0.00 57.16 55.58 1zts n GLU 75 Cb 0.25 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.01 1zts n GLU 75 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1zts n SER 76 N -0.40 0.39 -4.02 4.31 7.64 -1.26 -5.09 113.62 115.18 1zts n SER 76 Ca 0.47 -1.93 -0.16 0.00 1.01 0.00 0.00 58.87 58.26 1zts n SER 76 Cb 0.78 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.67 1zts n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1zts s ILE 77 N 0.00 0.57 -0.09 0.44 1.01 -1.26 -0.18 121.20 121.69 1zts s ILE 77 Ca 0.17 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1zts s ILE 77 Cb 0.19 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 42.15 1zts s ILE 77 CO -0.08 -0.04 -0.09 -0.63 0.00 0.00 0.00 174.94 174.09 1zts s ILE 78 N -0.60 1.05 -0.28 2.92 1.09 -1.24 -5.01 121.20 119.14 1zts s ILE 78 Ca -0.02 -0.36 0.11 0.00 -1.10 0.00 0.00 60.65 59.29 1zts s ILE 78 Cb -0.05 -1.02 0.61 0.00 -1.06 0.00 0.00 42.46 40.93 1zts s ILE 78 CO 0.00 0.36 1.60 0.29 -0.10 0.00 0.00 174.94 177.09 1zts n LYS 79 N 4.45 2.86 0.00 2.79 4.01 -1.26 -3.97 118.16 127.04 1zts n LYS 79 Ca -0.17 -3.04 0.00 0.00 -0.51 0.00 0.00 58.31 54.59 1zts n LYS 79 Cb 0.51 -1.99 0.00 0.00 -0.51 0.00 0.00 35.03 33.04 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1zts n GLY 80 N -0.60 1.70 2.44 0.72 0.00 -1.26 -4.86 105.19 103.34 1zts n GLY 80 Ca 0.34 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.78 -2.92 1.61 0.18 -1.26 -5.04 117.16 108.95 1zts n TYR 81 Ca 0.00 -3.06 -0.24 0.00 1.88 0.00 0.00 57.90 56.48 1zts n TYR 81 Cb 0.00 0.33 0.02 0.00 -0.38 0.00 0.00 39.34 39.31 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 0.20 -2.68 -4.42 -3.48 5.66 -1.26 -4.97 114.28 103.33 1zts n THR 82 Ca 0.15 0.15 -0.26 0.00 -3.05 0.00 0.00 64.05 61.04 1zts n THR 82 Cb 0.71 -2.70 -0.09 0.00 -1.55 0.00 0.00 70.33 66.69 1zts n THR 82 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1zts s THR 83 N -1.07 2.28 0.97 1.09 -4.23 -1.26 -5.14 115.64 108.28 1zts s THR 83 Ca 0.23 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.62 1zts s THR 83 Cb -0.02 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.17 1zts s THR 83 CO 0.52 -0.09 0.94 -0.62 -0.54 0.00 0.00 174.62 174.83 1zts n GLU 84 N -1.00 -2.45 -2.35 3.99 1.02 -1.26 -4.93 120.64 113.67 1zts n GLU 84 Ca -0.04 -1.49 -0.43 0.00 -0.02 0.00 0.00 57.16 55.19 1zts n GLU 84 Cb 0.65 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 1zts n GLU 84 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1zts s LYS 85 N -5.11 3.48 -0.00 3.49 1.02 -1.26 -4.78 119.74 116.59 1zts s LYS 85 Ca 0.59 0.81 0.02 0.00 0.02 0.00 0.00 55.97 57.40 1zts s LYS 85 Cb -0.05 -4.06 -0.02 0.00 -0.52 0.00 0.00 37.83 33.18 1zts s LYS 85 CO 0.44 -1.69 0.06 -0.89 -0.92 0.00 0.00 175.35 172.35 1zts n ILE 86 N 7.04 0.00 -0.23 2.17 5.41 -1.26 -5.01 119.36 127.49 1zts n ILE 86 Ca 0.16 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1zts n ILE 86 Cb 0.48 0.91 0.00 0.00 -0.71 0.00 0.00 39.64 40.33 1zts n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1zts n GLY 87 N 1.26 0.86 3.59 7.39 0.00 -1.26 -5.07 105.19 111.96 1zts n GLY 87 Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1zts n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1zts n ASP 88 N 0.42 -0.41 -2.21 1.61 5.68 -1.26 -4.96 116.55 115.42 1zts n ASP 88 Ca 0.00 0.30 -0.25 0.00 -0.50 0.00 0.00 54.79 54.34 1zts n ASP 88 Cb 0.00 -1.39 0.01 0.00 -1.14 0.00 0.00 41.12 38.60 1zts n ASP 88 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1zts n TYR 89 N -4.29 3.02 -3.61 2.11 4.01 -1.26 -4.96 117.16 112.17 1zts n TYR 89 Ca 0.10 -2.59 -0.27 0.00 -0.16 0.00 0.00 57.90 54.97 1zts n TYR 89 Cb 0.53 -0.23 -0.16 0.00 -0.31 0.00 0.00 39.34 39.16 1zts n TYR 89 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1zts s SER 90 N -3.58 2.94 -0.42 7.72 0.15 -1.26 -5.04 113.70 114.21 1zts s SER 90 Ca 0.50 -0.94 0.09 0.00 0.70 0.00 0.00 55.95 56.30 1zts s SER 90 Cb 0.41 -0.37 0.29 0.00 -1.71 0.00 0.00 66.02 64.63 1zts s SER 90 CO -0.05 -0.38 0.63 -1.22 1.20 0.00 0.00 173.24 173.42 1zts n TYR 91 N 5.21 0.44 -2.07 3.44 4.02 -1.26 -4.38 117.16 122.56 1zts n TYR 91 Ca -0.07 -3.72 -0.42 0.00 -0.01 0.00 0.00 57.90 53.68 1zts n TYR 91 Cb 0.46 -0.40 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 1zts n TYR 91 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1zts s THR 92 N -1.87 3.54 1.04 -0.72 2.01 -1.25 -4.27 115.64 114.12 1zts s THR 92 Ca 0.38 0.53 -0.15 0.00 0.31 0.00 0.00 61.69 62.76 1zts s THR 92 Cb 0.23 -3.78 0.10 0.00 0.01 0.00 0.00 72.50 69.06 1zts s THR 92 CO -0.09 -0.54 0.40 0.18 -0.69 0.00 0.00 174.62 173.88 1zts n LEU 93 N 10.32 -0.80 0.29 4.42 4.77 -0.02 -3.61 117.00 132.37 1zts n LEU 93 Ca 0.21 0.11 0.19 0.00 -0.03 0.00 0.00 56.01 56.49 1zts n LEU 93 Cb 0.48 -1.15 0.86 0.00 -2.33 0.00 0.00 43.42 41.28 1zts n LEU 93 CO 0.69 -3.25 1.05 1.23 -1.33 0.00 0.00 177.39 175.78 1zts h GLY 94 N -1.92 0.00 -3.64 -0.72 0.00 -0.89 -2.53 103.07 93.36 1zts h GLY 94 Ca -0.49 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.39 1zts h GLY 94 CO 0.38 0.00 0.57 1.22 0.00 0.00 0.00 176.54 178.71 1zts n ASP 95 N -3.01 4.62 -2.27 0.19 9.92 -1.26 -4.86 116.55 119.89 1zts n ASP 95 Ca -0.01 -3.34 -0.13 0.00 -0.53 0.00 0.00 54.79 50.79 1zts n ASP 95 Cb 0.21 -0.84 -0.01 0.00 -0.64 0.00 0.00 41.12 39.84 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 -0.70 -0.22 3.89 0.44 0.00 -0.95 -4.94 105.19 102.71 1zts n GLY 96 Ca 0.48 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.17 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 6.25 -0.96 1.61 0.01 -1.25 -4.92 113.70 112.40 1zts s SER 97 Ca 0.00 0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.49 1zts s SER 97 Cb 0.00 -1.93 0.24 0.00 0.21 0.00 0.00 66.02 64.54 1zts s SER 97 CO 0.00 0.25 0.89 -0.94 0.41 0.00 0.00 173.24 173.85 1zts s SER 98 N -2.00 6.61 -0.29 2.44 1.04 -1.26 -0.84 113.70 119.40 1zts s SER 98 Ca 0.28 -3.46 -0.35 0.00 0.48 0.00 0.00 55.95 52.90 1zts s SER 98 Cb -0.13 -2.07 -0.11 0.00 0.10 0.00 0.00 66.02 63.81 1zts s SER 98 CO 0.19 -0.29 2.11 -0.11 0.98 0.00 0.00 173.24 176.12 1zts n LEU 99 N 2.80 2.50 -4.83 2.42 7.94 -1.26 -4.93 117.00 121.64 1zts n LEU 99 Ca 0.20 0.52 -0.37 0.00 -1.11 0.00 0.00 56.01 55.25 1zts n LEU 99 Cb 0.39 -1.31 -0.06 0.00 0.53 0.00 0.00 43.42 42.97 1zts n LEU 99 CO 0.40 -0.60 0.01 0.00 -1.11 0.00 0.00 177.39 176.09 1zts s GLN 100 N 5.70 3.85 0.94 1.96 -2.07 -1.26 -4.93 119.66 123.85 1zts s GLN 100 Ca 1.05 0.21 -0.11 0.00 -1.82 0.00 0.00 55.36 54.69 1zts s GLN 100 Cb -0.78 -3.25 0.10 0.00 -1.09 0.00 0.00 33.01 27.98 1zts s GLN 100 CO 0.49 0.63 0.79 1.63 -1.32 0.00 0.00 175.29 177.51 1zts n LYS 101 N 2.20 -0.40 -2.26 9.60 5.02 -1.26 -4.94 118.16 126.12 1zts n LYS 101 Ca -0.15 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.70 1zts n LYS 101 Cb 0.53 -2.13 -0.01 0.00 -0.02 0.00 0.00 35.03 33.40 1zts n LYS 101 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1zts s PRO 102 N -4.15 3.94 -1.30 1.97 0.04 -1.26 -4.93 135.00 129.30 1zts s PRO 102 Ca 0.62 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 63.33 1zts s PRO 102 Cb -0.22 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.81 1zts s PRO 102 CO 0.63 -0.42 1.75 -0.25 0.04 0.00 0.00 177.00 178.75 1zts n ASP 103 N -0.12 4.90 -1.91 6.66 9.92 -1.26 -4.71 116.55 130.03 1zts n ASP 103 Ca 0.05 -2.92 -0.01 0.00 -0.53 0.00 0.00 54.79 51.38 1zts n ASP 103 Cb 0.47 -1.74 0.32 0.00 -0.64 0.00 0.00 41.12 39.53 1zts n ASP 103 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1zts n VAL 104 N 6.26 2.73 -0.05 2.53 0.24 -1.26 -4.43 118.33 124.34 1zts n VAL 104 Ca 0.49 -1.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.20 1zts n VAL 104 Cb 0.45 -0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 32.40 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 2.99 0.47 0.00 6.34 3.20 -1.97 -2.99 116.97 125.01 1zts h TYR 105 Ca 0.16 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1zts h TYR 105 Cb 2.13 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 40.31 1zts h TYR 105 CO 1.16 0.84 -0.04 0.00 -1.64 0.00 0.00 178.16 178.48 1zts h ALA 106 N 0.55 1.41 0.02 1.82 0.00 -1.98 0.25 119.26 121.34 1zts h ALA 106 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zts h ALA 106 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1zts h ALA 106 CO 0.05 0.05 -0.01 -0.07 0.00 0.00 0.00 179.25 179.27 1zts h LEU 107 N 0.00 -0.03 -2.40 0.00 3.38 -1.83 -3.21 115.31 111.23 1zts h LEU 107 Ca -0.00 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1zts h LEU 107 Cb 0.12 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1zts h LEU 107 CO 0.01 0.54 0.00 2.30 0.09 0.00 0.00 178.44 181.38 1zts n ILE 108 N -4.83 1.33 0.31 1.22 -5.35 -1.02 -4.23 119.36 106.80 1zts n ILE 108 Ca -0.09 -0.86 0.10 0.00 -0.27 0.00 0.00 62.75 61.64 1zts n ILE 108 Cb 0.29 0.02 0.47 0.00 -1.74 0.00 0.00 39.64 38.67 1zts n ILE 108 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1zts n LYS 109 N 0.78 0.14 0.05 6.28 4.81 0.85 -1.67 118.16 129.40 1zts n LYS 109 Ca 0.19 0.47 0.01 0.00 -0.87 0.00 0.00 58.31 58.11 1zts n LYS 109 Cb 0.69 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.84 1zts n LYS 109 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1zts h ASP 110 N 0.00 0.00 -1.39 3.14 5.19 -1.81 -3.36 116.42 118.19 1zts h ASP 110 Ca 0.00 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.76 1zts h ASP 110 Cb 0.22 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 39.37 1zts h ASP 110 CO 0.00 0.55 0.01 -1.22 -3.12 0.00 0.00 179.24 175.46 1zts n TYR 111 N -2.92 3.12 -3.25 4.55 4.01 -0.67 -4.96 117.16 117.04 1zts n TYR 111 Ca -0.08 -2.69 -0.45 0.00 -0.16 0.00 0.00 57.90 54.51 1zts n TYR 111 Cb 0.82 -0.67 -0.05 0.00 -0.31 0.00 0.00 39.34 39.12 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 -5.09 5.09 -0.39 -0.72 1.01 -1.19 -4.70 120.40 114.41 1zts s VAL 112 Ca 0.53 -1.31 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 1zts s VAL 112 Cb 0.43 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 32.47 1zts s VAL 112 CO -0.17 -0.93 0.51 1.17 0.00 0.00 0.00 175.10 175.68 1zts n LYS 113 N 5.59 -2.18 -0.50 2.72 3.00 -0.50 -4.99 118.16 121.30 1zts n LYS 113 Ca -0.12 1.84 -0.14 0.00 -0.00 0.00 0.00 58.31 59.89 1zts n LYS 113 Cb 0.41 -3.98 0.12 0.00 0.00 0.00 0.00 35.03 31.58 1zts n LYS 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1zts n PRO 114 N -0.02 -2.04 -1.34 1.64 -0.04 -1.26 -4.87 135.00 127.06 1zts n PRO 114 Ca 0.02 -0.84 -0.28 0.00 -0.04 0.00 0.00 63.50 62.36 1zts n PRO 114 Cb 0.49 -0.78 -0.08 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.90 6.89 -3.82 0.55 0.00 -1.26 -4.73 120.51 114.24 1zts n ALA 115 Ca -0.10 -2.98 -0.29 0.00 0.00 0.00 0.00 53.44 50.07 1zts n ALA 115 Cb 0.28 -2.74 -0.13 0.00 0.00 0.00 0.00 19.45 16.86 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 1.55 4.04 0.32 0.00 3.68 -1.26 -5.11 116.67 119.89 1zts s ASP 116 Ca 0.65 -3.16 0.00 0.00 2.13 0.00 0.00 52.55 52.17 1zts s ASP 116 Cb 0.26 -1.37 0.00 0.00 -1.45 0.00 0.00 42.92 40.36 1zts s ASP 116 CO -0.07 -0.19 0.00 -0.81 0.13 0.00 0.00 175.17 174.23 1zts n PRO 117 N 2.87 0.36 -0.91 4.34 -0.04 -1.26 -4.79 135.00 135.56 1zts n PRO 117 Ca 0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 1zts n PRO 117 Cb 0.35 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.72 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 -0.96 5.42 -0.01 3.54 2.03 -1.26 -3.94 116.55 121.38 1zts n ASP 118 Ca 0.00 -2.36 0.07 0.00 0.52 0.00 0.00 54.79 53.03 1zts n ASP 118 Cb 0.00 -1.23 -0.11 0.00 -0.72 0.00 0.00 41.12 39.06 1zts n ASP 118 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zts n LEU 119 N 3.13 0.17 0.00 -2.67 -0.00 -1.26 -4.89 117.00 111.48 1zts n LEU 119 Ca 0.47 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 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 -1.86 -1.67 -1.11 1.47 2.13 -1.25 -4.75 120.64 113.60 1zts n GLU 120 Ca -0.01 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.48 1zts n GLU 120 Cb 0.36 0.00 -0.03 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 0.27 3.82 3.79 8.31 0.00 -1.26 -4.92 105.19 115.19 1zts n GLY 121 Ca 0.00 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 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 4.27 -1.11 -0.61 1.09 -1.26 -3.44 121.20 122.62 1zts s ILE 122 Ca 0.60 1.74 0.00 0.00 -1.10 0.00 0.00 60.65 61.89 1zts s ILE 122 Cb 0.16 -4.01 0.00 0.00 -1.06 0.00 0.00 42.46 37.56 1zts s ILE 122 CO -0.05 0.19 0.00 1.21 -0.10 0.00 0.00 174.94 176.19 1zts n GLU 123 N 0.68 -1.36 -0.11 2.79 2.13 -1.26 -4.84 120.64 118.67 1zts n GLU 123 Ca 0.01 0.83 -0.19 0.00 0.66 0.00 0.00 57.16 58.47 1zts n GLU 123 Cb 0.50 -5.06 -0.07 0.00 0.27 0.00 0.00 31.44 27.08 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 1.19 0.94 0.25 4.31 0.00 -1.22 -3.63 120.51 122.35 1zts n ALA 124 Ca -0.10 -0.83 0.13 0.00 0.00 0.00 0.00 53.44 52.63 1zts n ALA 124 Cb 0.50 -0.02 0.63 0.00 0.00 0.00 0.00 19.45 20.57 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 -1.00 0.00 0.00 0.00 3.64 -1.89 -2.39 116.57 114.93 1zts h LYS 125 Ca -0.33 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1zts h LYS 125 Cb 1.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1zts h LYS 125 CO -0.20 0.13 -0.73 0.28 -2.27 0.00 0.00 179.45 176.67 1zts h VAL 126 N 0.00 0.46 0.00 2.00 2.07 -1.92 -2.45 116.25 116.41 1zts h VAL 126 Ca -0.00 -1.73 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1zts h VAL 126 Cb 0.53 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1zts h VAL 126 CO 0.02 0.26 -0.56 0.03 0.02 0.00 0.00 177.57 177.34 1zts h ARG 127 N 0.00 0.00 0.00 1.57 2.47 -1.51 -2.17 114.38 114.75 1zts h ARG 127 Ca -0.04 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.42 1zts h ARG 127 Cb 1.30 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.57 1zts h ARG 127 CO 0.04 0.19 -1.87 0.00 0.56 0.00 0.00 179.97 178.88 1zts n MET 128 N -3.02 0.65 0.07 0.04 0.00 -0.99 -4.06 117.12 109.81 1zts n MET 128 Ca 0.01 0.13 0.01 0.00 0.00 0.00 0.00 57.70 57.85 1zts n MET 128 Cb 0.64 -1.68 -0.05 0.00 0.00 0.00 0.00 33.22 32.12 1zts n MET 128 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 1zts h ARG 129 N 0.00 0.00 -0.91 3.17 -0.00 -1.53 -3.31 114.38 111.80 1zts h ARG 129 Ca -0.31 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.36 1zts h ARG 129 Cb 1.88 0.00 -0.18 0.00 -0.00 0.00 0.00 29.97 31.67 1zts h ARG 129 CO 0.05 0.37 0.39 0.43 -0.00 0.00 0.00 179.97 181.20 1zts n SER 130 N -3.00 3.92 -4.90 0.08 7.64 -0.82 -4.94 113.62 111.61 1zts n SER 130 Ca -0.06 -3.15 -0.31 0.00 1.01 0.00 0.00 58.87 56.37 1zts n SER 130 Cb 0.81 -0.74 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 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 -2.58 5.18 0.00 0.44 2.07 -1.25 -4.98 121.20 120.07 1zts s ILE 131 Ca 0.45 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 1zts s ILE 131 Cb 0.37 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 39.31 1zts s ILE 131 CO 0.10 -0.01 0.78 0.18 -1.91 0.00 0.00 174.94 174.07 1zts n LEU 132 N -0.08 0.00 0.00 8.50 4.77 -1.26 -4.77 117.00 124.16 1zts n LEU 132 Ca -0.03 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 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 0.49 -0.28 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.41 1zts n GLU 133 N -1.64 0.00 0.00 3.23 1.02 -1.26 -5.05 120.64 116.94 1zts n GLU 133 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1zts n GLU 133 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1zts n GLU 133 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1zts n HIS 134 N -2.35 0.00 -4.36 -0.32 -0.00 -1.26 -5.16 115.22 101.77 1zts n HIS 134 Ca 0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 1zts n HIS 134 Cb 0.24 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.01 1zts n HIS 134 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1zts s HIS 135 N -0.73 1.64 -0.53 1.57 2.46 -1.26 -5.07 115.29 113.37 1zts s HIS 135 Ca 0.00 -1.25 -0.26 0.00 0.47 0.00 0.00 55.06 54.02 1zts s HIS 135 Cb 0.00 -0.95 -0.08 0.00 -0.13 0.00 0.00 32.58 31.42 1zts s HIS 135 CO 0.00 -0.37 2.43 1.58 -2.47 0.00 0.00 174.74 175.91 1zts n HIS 136 N -0.59 1.37 -1.98 3.88 -0.00 -1.26 -4.81 115.22 111.83 1zts n HIS 136 Ca -0.00 0.12 -0.28 0.00 -0.00 0.00 0.00 57.72 57.55 1zts n HIS 136 Cb 0.66 -2.62 0.09 0.00 -0.00 0.00 0.00 29.99 28.11 1zts n HIS 136 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1zts s HIS 137 N 12.31 2.86 -0.90 1.57 5.04 -1.26 -5.03 115.29 129.88 1zts s HIS 137 Ca 0.99 0.64 -0.02 0.00 -1.54 0.00 0.00 55.06 55.13 1zts s HIS 137 Cb -0.22 -3.45 0.22 0.00 0.04 0.00 0.00 32.58 29.18 1zts s HIS 137 CO 0.26 -1.73 0.79 -1.01 -2.34 0.00 0.00 174.74 170.71 1zts s HIS 138 N -3.51 3.91 -2.03 3.88 3.76 -1.26 -5.18 115.29 114.87 1zts s HIS 138 Ca 0.62 -3.00 0.32 0.00 -0.15 0.00 0.00 55.06 52.85 1zts s HIS 138 Cb -0.11 -3.29 1.86 0.00 1.11 0.00 0.00 32.58 32.16 1zts s HIS 138 CO 0.48 -0.76 2.20 1.58 -0.85 0.00 0.00 174.74 177.40