#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zts s LEU 2 N 0.00 1.83 -0.10 4.03 2.01 -1.26 -5.00 118.68 120.19 1zts s LEU 2 Ca 0.00 1.13 0.14 0.00 0.01 0.00 0.00 54.13 55.42 1zts s LEU 2 Cb 0.00 -3.40 0.30 0.00 0.01 0.00 0.00 46.19 43.10 1zts s LEU 2 CO 0.00 -2.85 1.14 0.18 1.01 0.00 0.00 176.35 175.83 1zts n LEU 3 N -3.98 1.65 -4.93 1.79 4.32 -1.26 -5.07 117.00 109.51 1zts n LEU 3 Ca 0.06 -2.64 -0.20 0.00 -0.02 0.00 0.00 56.01 53.21 1zts n LEU 3 Cb 0.58 -0.27 -0.01 0.00 -1.62 0.00 0.00 43.42 42.10 1zts n LEU 3 CO 0.57 0.77 0.07 0.27 -1.22 0.00 0.00 177.39 177.86 1zts s ILE 4 N -1.71 2.67 -0.02 -0.08 -4.36 -1.26 -5.13 121.20 111.32 1zts s ILE 4 Ca 0.28 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 1zts s ILE 4 Cb 0.27 -2.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.06 1zts s ILE 4 CO -0.05 0.00 -0.05 0.28 0.24 0.00 0.00 174.94 175.36 1zts s THR 5 N -2.46 3.79 -0.62 8.37 -1.32 -1.26 -5.00 115.64 117.14 1zts s THR 5 Ca 0.50 -0.63 0.21 0.00 -1.21 0.00 0.00 61.69 60.57 1zts s THR 5 Cb -0.05 -2.62 0.21 0.00 -1.51 0.00 0.00 72.50 68.53 1zts s THR 5 CO 0.30 0.46 1.64 -0.81 -2.21 0.00 0.00 174.62 174.00 1zts n PRO 6 N 1.76 0.14 0.09 7.08 -0.04 -1.26 -2.48 135.00 140.29 1zts n PRO 6 Ca -0.16 0.38 -0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1zts n PRO 6 Cb 0.53 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 1zts n PRO 6 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zts h ASP 7 N 0.00 0.04 0.64 3.54 3.32 -1.94 -3.22 116.42 118.80 1zts h ASP 7 Ca 0.00 -0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.85 1zts h ASP 7 Cb 0.33 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1zts h ASP 7 CO 0.00 0.90 -0.74 -0.33 -1.72 0.00 0.00 179.24 177.35 1zts h GLU 8 N 0.01 0.08 -0.39 3.56 4.39 -1.91 -2.83 114.58 117.50 1zts h GLU 8 Ca -0.02 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1zts h GLU 8 Cb 1.54 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.18 1zts h GLU 8 CO 0.12 0.78 0.20 1.25 -1.16 0.00 0.00 179.01 180.20 1zts h LEU 9 N 0.05 0.30 -0.47 1.33 5.85 -1.61 0.24 115.31 121.01 1zts h LEU 9 Ca -0.02 0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1zts h LEU 9 Cb 1.31 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1zts h LEU 9 CO 0.10 0.22 -0.53 0.07 -0.34 0.00 0.00 178.44 177.96 1zts h LYS 10 N 0.41 0.65 -0.04 1.25 2.10 -1.64 0.26 116.57 119.56 1zts h LYS 10 Ca 0.16 -0.40 -0.09 0.00 -2.00 0.00 0.00 60.65 58.33 1zts h LYS 10 Cb 0.06 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 1zts h LYS 10 CO -0.11 1.02 -0.37 1.03 -2.00 0.00 0.00 179.45 179.01 1zts h SER 11 N 0.50 0.08 0.14 7.07 0.87 -1.19 -3.18 113.55 117.84 1zts h SER 11 Ca 0.01 -0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.21 1zts h SER 11 Cb 1.09 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 1zts h SER 11 CO 0.11 0.45 -1.75 0.22 -0.53 0.00 0.00 176.83 175.33 1zts h TYR 12 N 0.07 0.54 -4.05 2.24 3.20 -0.40 -3.47 116.97 115.08 1zts h TYR 12 Ca 0.01 -0.39 -0.49 0.00 3.14 0.00 0.00 58.73 60.99 1zts h TYR 12 Cb 0.70 -0.02 0.17 0.00 1.54 0.00 0.00 36.73 39.11 1zts h TYR 12 CO 0.00 1.69 0.22 0.45 -1.64 0.00 0.00 178.16 178.88 1zts s SER 13 N -7.12 3.13 -0.03 -2.11 0.15 0.89 -4.98 113.70 103.63 1zts s SER 13 Ca -0.20 1.76 0.09 0.00 0.70 0.00 0.00 55.95 58.30 1zts s SER 13 Cb 0.06 -2.38 -0.13 0.00 -1.71 0.00 0.00 66.02 61.86 1zts s SER 13 CO 0.79 -2.89 0.16 1.33 1.20 0.00 0.00 173.24 173.82 1zts n VAL 14 N -4.07 0.13 -2.15 4.45 0.24 -1.26 -4.88 118.33 110.77 1zts n VAL 14 Ca 0.08 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.34 61.72 1zts n VAL 14 Cb 0.54 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.53 3.01 0.01 6.34 0.08 -1.26 -4.88 117.98 118.74 1zts s PHE 15 Ca -0.03 0.82 0.31 0.00 0.12 0.00 0.00 56.93 58.15 1zts s PHE 15 Cb 0.05 -3.71 1.45 0.00 -0.57 0.00 0.00 43.02 40.23 1zts s PHE 15 CO 0.37 -2.60 1.94 1.05 -0.10 0.00 0.00 175.22 175.87 1zts h GLU 16 N 7.33 0.00 0.05 0.44 4.11 -1.98 -2.96 114.58 121.57 1zts h GLU 16 Ca -0.41 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 1zts h GLU 16 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1zts h GLU 16 CO 0.89 0.00 -0.02 0.77 0.07 0.00 0.00 179.01 180.71 1zts h SER 17 N 0.00 -0.05 -0.25 3.06 0.02 -1.93 0.26 113.55 114.66 1zts h SER 17 Ca 0.00 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1zts h SER 17 Cb 0.30 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1zts h SER 17 CO 0.00 0.37 0.14 0.58 -1.14 0.00 0.00 176.83 176.78 1zts h VAL 18 N -0.49 1.10 0.03 2.27 2.07 -1.74 -2.06 116.25 117.43 1zts h VAL 18 Ca -0.01 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1zts h VAL 18 Cb 0.44 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1zts h VAL 18 CO 0.01 0.11 -0.28 0.11 0.02 0.00 0.00 177.57 177.54 1zts h LYS 19 N 0.38 0.13 -0.90 1.57 1.57 -1.50 -3.32 116.57 114.50 1zts h LYS 19 Ca 0.10 -0.18 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 1zts h LYS 19 Cb 0.04 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.31 1zts h LYS 19 CO -0.01 1.02 0.50 1.79 -0.57 0.00 0.00 179.45 182.18 1zts h THR 20 N -0.68 0.74 -3.34 -0.16 1.35 -0.26 -3.42 112.91 107.14 1zts h THR 20 Ca -0.04 -0.24 -0.54 0.00 -0.55 0.00 0.00 66.41 65.04 1zts h THR 20 Cb 1.15 -0.01 0.21 0.00 -1.73 0.00 0.00 68.15 67.76 1zts h THR 20 CO 0.05 0.13 -0.52 0.54 -0.25 0.00 0.00 175.52 175.46 1zts n ARG 21 N -4.82 -0.08 -0.03 4.72 1.74 -0.80 -4.99 116.66 112.40 1zts n ARG 21 Ca 0.19 0.02 -0.01 0.00 -0.77 0.00 0.00 57.85 57.28 1zts n ARG 21 Cb 0.46 -1.84 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.33 -1.08 -0.04 5.56 -0.04 -1.26 -4.97 135.00 131.83 1zts n PRO 22 Ca 0.08 -0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.49 1zts n PRO 22 Cb 0.52 -0.04 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 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 -3.05 0.21 -0.03 3.54 8.00 -1.26 -3.88 116.55 120.07 1zts n ASP 23 Ca 0.00 0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 1zts n ASP 23 Cb 0.02 1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 42.16 1zts n ASP 23 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1zts h GLU 24 N 0.00 0.59 -0.33 -1.24 4.11 -2.00 -3.15 114.58 112.57 1zts h GLU 24 Ca -0.28 -0.46 -0.04 0.00 0.07 0.00 0.00 59.36 58.65 1zts h GLU 24 Cb 1.68 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1zts h GLU 24 CO 0.02 1.09 0.06 -0.07 0.07 0.00 0.00 179.01 180.18 1zts h LEU 25 N 0.23 0.51 -1.22 3.06 3.38 -1.97 -2.82 115.31 116.48 1zts h LEU 25 Ca -0.03 -0.25 0.19 0.00 0.09 0.00 0.00 57.88 57.87 1zts h LEU 25 Cb 1.17 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.70 1zts h LEU 25 CO 0.11 0.64 0.61 -0.07 0.09 0.00 0.00 178.44 179.82 1zts h LEU 26 N 0.37 0.64 -0.20 1.67 3.38 -1.67 -0.63 115.31 118.87 1zts h LEU 26 Ca 0.10 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1zts h LEU 26 Cb 0.34 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1zts h LEU 26 CO 0.01 0.25 0.08 0.11 0.09 0.00 0.00 178.44 178.98 1zts h LYS 27 N 0.64 0.30 -0.95 1.13 1.57 -1.45 -1.18 116.57 116.63 1zts h LYS 27 Ca 0.53 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.28 1zts h LYS 27 Cb 0.97 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1zts h LYS 27 CO -0.28 0.37 0.62 1.96 -0.57 0.00 0.00 179.45 181.54 1zts h GLN 28 N 0.17 1.17 0.08 3.15 4.20 -1.04 -1.95 115.11 120.90 1zts h GLN 28 Ca 0.07 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1zts h GLN 28 Cb 0.18 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1zts h GLN 28 CO -0.01 0.78 -0.04 0.22 -0.67 0.00 0.00 178.83 179.11 1zts h ASP 29 N 1.21 -0.10 -0.36 1.46 1.82 -1.11 -2.01 116.42 117.33 1zts h ASP 29 Ca 0.37 -0.22 0.08 0.00 -0.39 0.00 0.00 57.03 56.87 1zts h ASP 29 Cb -0.02 0.02 -0.08 0.00 0.68 0.00 0.00 39.33 39.94 1zts h ASP 29 CO -0.12 0.17 -0.15 0.40 -1.61 0.00 0.00 179.24 177.94 1zts h ILE 30 N -0.37 0.52 0.00 2.25 2.04 -0.95 0.32 117.51 121.32 1zts h ILE 30 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1zts h ILE 30 Cb 0.31 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1zts h ILE 30 CO 0.02 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 178.03 1zts h LEU 31 N -0.08 0.00 0.00 1.44 3.38 -1.34 -1.01 115.31 117.69 1zts h LEU 31 Ca 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1zts h LEU 31 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1zts h LEU 31 CO -0.42 0.07 -0.51 -0.33 0.09 0.00 0.00 178.44 177.34 1zts h GLU 32 N 0.00 0.00 0.07 1.13 3.07 -0.04 -3.30 114.58 115.51 1zts h GLU 32 Ca -0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 1zts h GLU 32 Cb 0.14 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.08 1zts h GLU 32 CO 0.01 0.47 -1.14 0.00 -1.40 0.00 0.00 179.01 176.95 1zts h ALA 33 N 1.52 0.04 -0.11 3.43 0.00 0.78 -3.20 119.26 121.72 1zts h ALA 33 Ca -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.20 1zts h ALA 33 Cb 1.37 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1zts h ALA 33 CO 0.06 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.20 1zts h THR 34 N 0.30 0.22 0.00 0.00 1.03 -1.42 0.86 112.91 113.89 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 1.81 0.80 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 1zts h THR 34 CO 0.22 0.00 -0.22 0.00 -0.01 0.00 0.00 175.52 175.52 1zts h ALA 35 N 1.66 1.53 0.11 0.00 0.00 -1.67 -0.96 119.26 119.94 1zts h ALA 35 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1zts h ALA 35 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1zts h ALA 35 CO -0.00 0.27 -0.06 0.22 0.00 0.00 0.00 179.25 179.69 1zts h ASP 36 N 0.00 -0.13 0.09 0.00 -0.00 -1.00 -2.81 116.42 112.57 1zts h ASP 36 Ca -0.00 -0.36 0.01 0.00 -0.00 0.00 0.00 57.03 56.68 1zts h ASP 36 Cb 0.41 0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.76 1zts h ASP 36 CO 0.03 0.48 -0.14 0.40 -0.00 0.00 0.00 179.24 180.02 1zts h ILE 37 N -0.95 0.69 -0.72 2.25 2.04 -1.56 -1.95 117.51 117.31 1zts h ILE 37 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1zts h ILE 37 Cb 0.48 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1zts h ILE 37 CO 0.03 0.00 0.48 0.40 0.00 0.00 0.00 178.15 179.05 1zts h ILE 38 N -0.27 0.85 0.00 -0.67 2.04 -1.32 0.27 117.51 118.40 1zts h ILE 38 Ca 0.02 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1zts h ILE 38 Cb 0.29 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1zts h ILE 38 CO -0.07 0.08 -0.16 -0.07 0.00 0.00 0.00 178.15 177.94 1zts h LEU 39 N 0.46 0.00 0.05 1.44 3.38 -1.09 0.30 115.31 119.86 1zts h LEU 39 Ca 0.34 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.13 1zts h LEU 39 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1zts h LEU 39 CO -0.11 0.16 -0.97 0.11 0.09 0.00 0.00 178.44 177.71 1zts h LYS 40 N 0.00 0.11 -0.05 1.13 1.57 -0.00 -3.36 116.57 115.96 1zts h LYS 40 Ca -0.00 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.42 1zts h LYS 40 Cb 0.60 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1zts h LYS 40 CO 0.02 1.09 -0.70 -0.39 -0.57 0.00 0.00 179.45 178.90 1zts h VAL 41 N -0.69 1.41 0.00 0.50 -1.51 -1.16 -3.44 116.25 111.36 1zts h VAL 41 Ca -0.23 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.06 1zts h VAL 41 Cb 1.42 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 32.73 1zts h VAL 41 CO -0.03 0.64 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 1zts n GLY 42 N 0.49 0.79 3.31 5.19 0.00 0.10 -3.81 105.19 111.27 1zts n GLY 42 Ca -0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 1zts n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zts s HIS 43 N -2.00 -0.59 -0.65 1.61 3.76 -1.12 -5.03 115.29 111.26 1zts s HIS 43 Ca 0.00 1.31 0.16 0.00 -0.15 0.00 0.00 55.06 56.37 1zts s HIS 43 Cb 0.00 0.26 0.60 0.00 1.11 0.00 0.00 32.58 34.55 1zts s HIS 43 CO 0.00 -0.32 1.52 -0.40 -0.85 0.00 0.00 174.74 174.69 1zts n ASP 44 N 3.81 4.30 -3.82 1.40 3.85 -1.26 -4.62 116.55 120.21 1zts n ASP 44 Ca -0.20 -2.62 -0.23 0.00 -0.71 0.00 0.00 54.79 51.02 1zts n ASP 44 Cb 0.56 -0.52 0.01 0.00 -1.35 0.00 0.00 41.12 39.82 1zts n ASP 44 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1zts n PHE 45 N 0.41 -1.80 0.15 2.11 0.99 -1.26 -4.91 117.46 113.16 1zts n PHE 45 Ca 0.22 0.80 -0.13 0.00 -0.00 0.00 0.00 57.45 58.34 1zts n PHE 45 Cb 0.86 -4.08 -0.08 0.00 -1.00 0.00 0.00 39.48 35.18 1zts n PHE 45 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1zts h SER 46 N -1.85 -0.34 -1.28 4.37 0.87 -1.93 -3.43 113.55 109.95 1zts h SER 46 Ca -0.62 -0.19 -0.67 0.00 -1.23 0.00 0.00 61.79 59.08 1zts h SER 46 Cb 1.37 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 1zts h SER 46 CO 0.60 0.06 1.33 0.47 -0.53 0.00 0.00 176.83 178.76 1zts n ASP 47 N -5.10 2.35 0.23 6.23 8.00 -1.26 -4.78 116.55 122.22 1zts n ASP 47 Ca -0.09 0.53 0.18 0.00 0.71 0.00 0.00 54.79 56.12 1zts n ASP 47 Cb 0.27 -1.27 0.87 0.00 -0.02 0.00 0.00 41.12 40.96 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 11.61 1.66 -0.52 2.24 0.00 -2.02 0.24 119.26 132.47 1zts h ALA 48 Ca -0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1zts h ALA 48 Cb 1.31 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 1zts h ALA 48 CO 1.00 -0.29 0.15 -0.85 0.00 0.00 0.00 179.25 179.26 1zts n GLU 49 N -3.57 3.30 -2.71 0.00 0.28 -1.26 -4.27 120.64 112.41 1zts n GLU 49 Ca 0.01 -2.30 -0.08 0.00 -0.16 0.00 0.00 57.16 54.64 1zts n GLU 49 Cb 0.33 -2.01 0.10 0.00 1.43 0.00 0.00 31.44 31.29 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 0.11 -2.54 -3.30 -1.84 9.36 0.84 -5.04 117.16 114.75 1zts n TYR 50 Ca 0.28 -1.95 -0.29 0.00 3.32 0.00 0.00 57.90 59.25 1zts n TYR 50 Cb 1.08 1.60 -0.06 0.00 -0.63 0.00 0.00 39.34 41.33 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 -0.18 2.93 -2.23 2.97 5.41 -1.22 -4.69 119.36 122.35 1zts n ILE 51 Ca -0.00 -5.38 -0.41 0.00 1.00 0.00 0.00 62.75 57.96 1zts n ILE 51 Cb 0.78 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.67 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 -2.67 4.41 -0.52 0.38 0.04 -1.26 -5.00 135.00 130.38 1zts s PRO 52 Ca 0.40 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1zts s PRO 52 Cb 0.15 -3.17 0.17 0.00 0.04 0.00 0.00 34.50 31.69 1zts s PRO 52 CO -0.01 -0.19 0.41 -0.11 0.04 0.00 0.00 177.00 177.14 1zts n LEU 53 N 2.17 0.88 0.00 -3.56 7.94 -1.26 -5.08 117.00 118.09 1zts n LEU 53 Ca 0.04 -4.71 -0.02 0.00 -1.11 0.00 0.00 56.01 50.22 1zts n LEU 53 Cb 0.43 0.06 0.02 0.00 0.53 0.00 0.00 43.42 44.45 1zts n LEU 53 CO 0.58 1.83 0.04 -0.81 -1.11 0.00 0.00 177.39 177.92 1zts n PRO 54 N 2.44 -1.17 0.12 1.96 -0.04 -1.26 -4.90 135.00 132.15 1zts n PRO 54 Ca 0.26 -0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1zts n PRO 54 Cb 0.43 -0.11 0.01 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.08 0.54 4.81 -1.99 -3.24 114.58 114.62 1zts h GLU 55 Ca -0.03 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1zts h GLU 55 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1zts h GLU 55 CO 0.02 0.29 -0.27 1.79 -0.73 0.00 0.00 179.01 180.12 1zts h THR 56 N 0.00 1.41 -0.20 0.32 1.35 -1.93 -3.00 112.91 110.87 1zts h THR 56 Ca -0.05 -1.63 -0.00 0.00 -0.55 0.00 0.00 66.41 64.18 1zts h THR 56 Cb 1.33 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 1zts h THR 56 CO 0.04 0.47 0.11 0.58 -0.25 0.00 0.00 175.52 176.47 1zts h VAL 57 N -0.15 1.10 -0.83 6.82 2.07 -1.82 0.85 116.25 124.29 1zts h VAL 57 Ca -0.01 -0.27 0.13 0.00 0.82 0.00 0.00 66.70 67.37 1zts h VAL 57 Cb 0.89 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 1zts h VAL 57 CO 0.06 0.10 0.43 -0.09 0.02 0.00 0.00 177.57 178.08 1zts h ARG 58 N 0.22 0.63 -0.15 1.57 2.43 -1.63 -1.40 114.38 116.04 1zts h ARG 58 Ca 0.07 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.02 1zts h ARG 58 Cb 0.06 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1zts h ARG 58 CO -0.01 0.42 -0.60 1.25 -1.51 0.00 0.00 179.97 179.52 1zts h LEU 59 N 0.65 0.79 -0.61 3.80 5.85 -1.33 -2.47 115.31 121.98 1zts h LEU 59 Ca 0.44 -0.62 0.11 0.00 0.84 0.00 0.00 57.88 58.65 1zts h LEU 59 Cb 0.56 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1zts h LEU 59 CO -0.33 1.27 0.15 0.00 -0.34 0.00 0.00 178.44 179.19 1zts h ALA 60 N 0.54 0.74 -0.26 1.25 0.00 0.11 -0.97 119.26 120.66 1zts h ALA 60 Ca -0.03 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1zts h ALA 60 Cb 1.23 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1zts h ALA 60 CO 0.13 -0.28 -0.50 1.25 0.00 0.00 0.00 179.25 179.84 1zts h LEU 61 N 0.29 0.79 -1.18 0.00 7.12 -1.33 -2.61 115.31 118.39 1zts h LEU 61 Ca 0.32 -0.40 0.07 0.00 0.13 0.00 0.00 57.88 58.00 1zts h LEU 61 Cb 0.46 -0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.31 1zts h LEU 61 CO -0.39 1.15 0.57 -0.07 -0.13 0.00 0.00 178.44 179.58 1zts h LEU 62 N 0.56 0.85 -0.05 2.25 3.38 -0.75 0.15 115.31 121.71 1zts h LEU 62 Ca 0.02 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1zts h LEU 62 Cb 1.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1zts h LEU 62 CO 0.10 0.53 -0.20 0.11 0.09 0.00 0.00 178.44 179.08 1zts h LYS 63 N 0.96 0.22 -0.24 1.13 1.79 -1.14 -2.87 116.57 116.42 1zts h LYS 63 Ca 0.39 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1zts h LYS 63 Cb 0.27 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 1zts h LYS 63 CO -0.15 0.81 0.12 -0.07 -1.08 0.00 0.00 179.45 179.08 1zts h LEU 64 N -0.33 0.18 -1.32 2.94 3.38 -1.06 0.14 115.31 119.24 1zts h LEU 64 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1zts h LEU 64 Cb 0.85 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1zts h LEU 64 CO 0.04 0.14 0.51 0.28 0.09 0.00 0.00 178.44 179.50 1zts h SER 65 N 0.25 0.70 0.77 -0.43 0.02 -0.79 -0.97 113.55 113.11 1zts h SER 65 Ca 0.10 0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.87 1zts h SER 65 Cb 0.02 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1zts h SER 65 CO -0.06 0.44 -0.89 -0.61 -1.14 0.00 0.00 176.83 174.56 1zts h GLN 66 N 0.79 0.07 0.71 3.45 4.15 -1.16 -2.17 115.11 120.96 1zts h GLN 66 Ca 0.35 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.65 1zts h GLN 66 Cb 0.33 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.06 1zts h GLN 66 CO -0.13 0.91 -0.34 0.35 -1.93 0.00 0.00 178.83 177.69 1zts h PHE 67 N 0.03 -0.89 -0.24 3.99 3.04 0.62 -1.40 116.94 122.09 1zts h PHE 67 Ca -0.03 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 1zts h PHE 67 Cb 1.55 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 40.35 1zts h PHE 67 CO 0.01 -0.55 -0.13 1.88 -2.02 0.00 0.00 178.31 177.51 1zts h TYR 68 N -0.97 0.59 -0.42 0.41 -1.99 -1.55 -2.84 116.97 110.21 1zts h TYR 68 Ca -0.10 -0.15 0.12 0.00 2.00 0.00 0.00 58.73 60.60 1zts h TYR 68 Cb 0.74 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.32 1zts h TYR 68 CO -0.02 0.78 0.39 0.00 -0.00 0.00 0.00 178.16 179.31 1zts h ALA 69 N 0.72 2.18 -0.01 3.88 0.00 -1.39 1.00 119.26 125.65 1zts h ALA 69 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1zts h ALA 69 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1zts h ALA 69 CO 0.04 -0.60 -0.09 1.25 0.00 0.00 0.00 179.25 179.85 1zts h LEU 70 N 0.00 0.09 -3.54 0.00 5.85 -1.01 -3.27 115.31 113.42 1zts h LEU 70 Ca 0.20 -0.75 -0.40 0.00 0.84 0.00 0.00 57.88 57.77 1zts h LEU 70 Cb 0.97 -0.03 -0.24 0.00 0.37 0.00 0.00 40.66 41.74 1zts h LEU 70 CO -0.00 0.82 0.50 2.30 -0.34 0.00 0.00 178.44 181.72 1zts n ILE 71 N -4.65 2.70 -0.02 4.05 -5.35 -0.54 -3.75 119.36 111.79 1zts n ILE 71 Ca -0.09 -1.48 -0.00 0.00 -0.27 0.00 0.00 62.75 60.90 1zts n ILE 71 Cb 0.41 -0.59 -0.06 0.00 -1.74 0.00 0.00 39.64 37.67 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 -0.76 3.19 -0.05 7.28 4.13 0.24 -4.72 115.26 124.56 1zts n ASN 72 Ca 0.46 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.68 1zts n ASN 72 Cb 1.41 0.96 -0.10 0.00 -1.54 0.00 0.00 39.78 40.51 1zts n ASN 72 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zts n GLY 73 N 2.34 -0.62 3.57 7.41 0.00 -1.25 -4.00 105.19 112.64 1zts n GLY 73 Ca -0.08 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.38 2.89 -2.30 1.61 -0.08 -1.25 -4.83 116.55 110.22 1zts n ASP 74 Ca -0.17 0.04 -0.25 0.00 -1.51 0.00 0.00 54.79 52.90 1zts n ASP 74 Cb 0.81 -1.53 -0.00 0.00 2.34 0.00 0.00 41.12 42.74 1zts n ASP 74 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1zts n GLU 75 N 8.78 2.25 -0.66 -0.67 2.13 -1.26 -3.81 120.64 127.39 1zts n GLU 75 Ca 0.33 -2.26 -0.01 0.00 0.66 0.00 0.00 57.16 55.87 1zts n GLU 75 Cb 0.45 -1.98 -0.02 0.00 0.27 0.00 0.00 31.44 30.16 1zts n GLU 75 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1zts n SER 76 N 0.39 -0.19 -2.75 4.31 3.41 -1.26 -4.96 113.62 112.57 1zts n SER 76 Ca 0.44 -1.40 -0.24 0.00 -0.26 0.00 0.00 58.87 57.40 1zts n SER 76 Cb 0.55 0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1zts n SER 76 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1zts n ILE 77 N 0.02 2.29 -1.15 -1.33 5.41 -1.25 -4.76 119.36 118.59 1zts n ILE 77 Ca -0.06 -4.99 0.14 0.00 1.00 0.00 0.00 62.75 58.84 1zts n ILE 77 Cb 0.60 -1.04 -0.07 0.00 -0.71 0.00 0.00 39.64 38.42 1zts n ILE 77 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1zts n ILE 78 N -0.27 -0.67 -0.91 1.39 2.08 -1.26 -3.45 119.36 116.26 1zts n ILE 78 Ca 0.32 0.72 0.00 0.00 0.56 0.00 0.00 62.75 64.35 1zts n ILE 78 Cb 0.56 -1.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 1zts n ILE 78 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1zts n LYS 79 N -3.88 -0.01 0.00 0.38 4.81 -1.25 -4.71 118.16 113.50 1zts n LYS 79 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1zts n LYS 79 Cb 0.55 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1zts n LYS 79 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1zts n GLY 80 N -2.01 0.35 3.20 3.14 0.00 -1.26 -4.70 105.19 103.91 1zts n GLY 80 Ca 0.00 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.42 -3.22 1.61 0.18 -1.26 -4.63 117.16 106.42 1zts n TYR 81 Ca 0.00 0.14 -0.26 0.00 1.88 0.00 0.00 57.90 59.67 1zts n TYR 81 Cb 0.00 -1.62 -0.06 0.00 -0.38 0.00 0.00 39.34 37.28 1zts n TYR 81 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1zts n THR 82 N -2.61 1.93 -1.74 -3.48 -2.24 -1.26 -4.93 114.28 99.95 1zts n THR 82 Ca 0.03 -5.11 -0.18 0.00 -2.27 0.00 0.00 64.05 56.51 1zts n THR 82 Cb 0.53 -1.69 0.12 0.00 -2.10 0.00 0.00 70.33 67.20 1zts n THR 82 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1zts n THR 83 N 0.53 0.00 -0.01 4.28 -2.24 -1.26 -4.62 114.28 110.96 1zts n THR 83 Ca 0.29 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1zts n THR 83 Cb 0.44 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1zts n THR 83 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1zts n GLU 84 N -2.73 -1.78 -2.18 -0.78 0.28 -1.26 -4.70 120.64 107.49 1zts n GLU 84 Ca 0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 1zts n GLU 84 Cb 0.38 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.22 1zts n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1zts s LYS 85 N -2.79 4.27 0.04 3.44 0.00 -1.26 -4.94 119.74 118.50 1zts s LYS 85 Ca 0.00 2.02 0.05 0.00 0.00 0.00 0.00 55.97 58.04 1zts s LYS 85 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 37.83 34.22 1zts s LYS 85 CO 0.00 -0.60 -0.16 0.42 0.00 0.00 0.00 175.35 175.01 1zts s ILE 86 N 2.47 1.25 -1.26 3.79 1.01 -1.26 -5.04 121.20 122.15 1zts s ILE 86 Ca 0.65 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1zts s ILE 86 Cb -0.33 -1.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 1zts s ILE 86 CO 0.27 0.03 2.73 0.61 0.00 0.00 0.00 174.94 178.58 1zts n GLY 87 N 1.82 3.76 0.00 6.18 0.00 -1.26 -4.84 105.19 110.86 1zts n GLY 87 Ca -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 3.67 1.40 -0.30 1.61 -0.08 -1.26 -5.07 116.55 116.52 1zts n ASP 88 Ca 0.65 -0.97 0.03 0.00 -1.51 0.00 0.00 54.79 52.99 1zts n ASP 88 Cb 0.25 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.75 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 -0.29 0.00 -2.69 -0.67 4.19 -1.26 -4.92 117.16 111.52 1zts n TYR 89 Ca 0.00 -0.32 -0.42 0.00 3.31 0.00 0.00 57.90 60.46 1zts n TYR 89 Cb 0.00 -0.08 0.01 0.00 0.49 0.00 0.00 39.34 39.76 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 -0.45 6.34 -2.72 2.98 7.64 -1.26 -4.65 113.62 121.50 1zts n SER 90 Ca 0.05 -3.35 -0.10 0.00 1.01 0.00 0.00 58.87 56.48 1zts n SER 90 Cb 0.64 -1.32 0.03 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.83 0.75 -2.67 1.43 4.01 -1.25 -3.90 117.16 117.36 1zts n TYR 91 Ca 0.36 -2.84 -0.43 0.00 -0.16 0.00 0.00 57.90 54.83 1zts n TYR 91 Cb 0.32 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1zts n TYR 91 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1zts s THR 92 N -2.78 4.19 0.99 -0.72 2.01 -1.22 -4.34 115.64 113.77 1zts s THR 92 Ca 0.28 0.83 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 1zts s THR 92 Cb 0.44 -4.62 0.19 0.00 0.01 0.00 0.00 72.50 68.51 1zts s THR 92 CO 0.02 -1.16 1.11 -0.76 -0.69 0.00 0.00 174.62 173.14 1zts s LEU 93 N 4.49 2.23 0.63 4.42 1.43 -1.19 -4.35 118.68 126.34 1zts s LEU 93 Ca 0.41 1.98 0.33 0.00 -1.03 0.00 0.00 54.13 55.82 1zts s LEU 93 Cb -0.09 -4.22 1.84 0.00 0.03 0.00 0.00 46.19 43.75 1zts s LEU 93 CO 0.26 -3.42 2.11 1.23 0.23 0.00 0.00 176.35 176.76 1zts h GLY 94 N -2.09 0.00 -3.00 -3.19 0.00 -1.92 0.22 103.07 93.09 1zts h GLY 94 Ca -0.49 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1zts h GLY 94 CO 0.44 0.00 0.08 1.22 0.00 0.00 0.00 176.54 178.29 1zts n ASP 95 N -3.37 4.37 -2.23 0.19 10.43 -1.26 -4.89 116.55 119.78 1zts n ASP 95 Ca -0.00 -2.78 -0.12 0.00 2.57 0.00 0.00 54.79 54.45 1zts n ASP 95 Cb 0.29 -0.66 -0.02 0.00 1.84 0.00 0.00 41.12 42.57 1zts n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1zts n GLY 96 N 0.26 -0.18 3.71 0.44 0.00 0.76 -4.92 105.19 105.27 1zts n GLY 96 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.03 6.53 -1.32 1.61 0.01 -1.26 -4.88 113.70 112.36 1zts s SER 97 Ca 0.00 0.62 -0.17 0.00 1.31 0.00 0.00 55.95 57.71 1zts s SER 97 Cb 0.00 -2.23 0.04 0.00 0.21 0.00 0.00 66.02 64.04 1zts s SER 97 CO 0.00 0.03 1.89 -1.20 0.41 0.00 0.00 173.24 174.36 1zts n SER 98 N 3.79 4.46 -4.51 2.44 7.64 -1.26 -3.18 113.62 123.01 1zts n SER 98 Ca -0.09 -2.88 -0.42 0.00 1.01 0.00 0.00 58.87 56.49 1zts n SER 98 Cb 0.52 -1.71 -0.07 0.00 -1.01 0.00 0.00 64.21 61.93 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 8.16 1.75 -4.96 -3.43 7.94 -1.26 -4.92 117.00 120.28 1zts n LEU 99 Ca 0.50 -0.05 -0.22 0.00 -1.11 0.00 0.00 56.01 55.12 1zts n LEU 99 Cb 0.44 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.05 1zts n LEU 99 CO 0.81 -1.09 -0.06 0.00 -1.11 0.00 0.00 177.39 175.94 1zts s GLN 100 N 7.86 3.42 0.94 1.96 -2.07 -1.26 -5.05 119.66 125.46 1zts s GLN 100 Ca 1.12 -0.73 -0.13 0.00 -1.82 0.00 0.00 55.36 53.79 1zts s GLN 100 Cb -0.66 -2.90 0.02 0.00 -1.09 0.00 0.00 33.01 28.39 1zts s GLN 100 CO 0.39 0.45 0.35 1.63 -1.32 0.00 0.00 175.29 176.79 1zts n LYS 101 N -1.18 -0.25 -2.25 9.60 5.02 -1.26 -4.91 118.16 122.93 1zts n LYS 101 Ca -0.08 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.77 1zts n LYS 101 Cb 0.56 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -3.51 4.46 -1.37 1.97 0.04 -1.26 -4.91 135.00 130.43 1zts s PRO 102 Ca 0.56 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.56 1zts s PRO 102 Cb -0.22 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 1zts s PRO 102 CO 0.68 -0.04 2.56 -0.25 0.04 0.00 0.00 177.00 179.98 1zts n ASP 103 N 1.03 6.57 0.00 6.66 9.92 -1.26 -4.53 116.55 134.94 1zts n ASP 103 Ca -0.00 -2.56 0.16 0.00 -0.53 0.00 0.00 54.79 51.85 1zts n ASP 103 Cb 0.43 -1.43 0.89 0.00 -0.64 0.00 0.00 41.12 40.37 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 4.16 0.00 -0.32 2.53 0.24 -1.26 -3.83 118.33 119.85 1zts n VAL 104 Ca 0.64 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 63.02 1zts n VAL 104 Cb 0.25 -0.50 0.24 0.00 -1.47 0.00 0.00 33.84 32.36 1zts n VAL 104 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1zts h TYR 105 N 0.00 0.91 0.00 6.34 3.20 -1.98 0.30 116.97 125.74 1zts h TYR 105 Ca 0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1zts h TYR 105 Cb 0.08 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1zts h TYR 105 CO 0.00 0.26 -0.25 0.00 -1.64 0.00 0.00 178.16 176.52 1zts h ALA 106 N 1.56 1.03 0.05 1.82 0.00 -1.98 -0.54 119.26 121.19 1zts h ALA 106 Ca 0.49 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1zts h ALA 106 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1zts h ALA 106 CO -0.34 0.32 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 1zts h LEU 107 N 0.00 -0.05 0.00 0.00 3.38 -0.75 -3.27 115.31 114.61 1zts h LEU 107 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1zts h LEU 107 Cb 0.76 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1zts h LEU 107 CO 0.03 0.69 0.00 2.30 0.09 0.00 0.00 178.44 181.55 1zts n ILE 108 N -4.75 0.02 -0.16 1.22 -5.35 -0.03 -3.75 119.36 106.55 1zts n ILE 108 Ca -0.07 0.00 0.28 0.00 -0.27 0.00 0.00 62.75 62.69 1zts n ILE 108 Cb 0.31 -0.52 0.72 0.00 -1.74 0.00 0.00 39.64 38.41 1zts n ILE 108 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1zts h LYS 109 N 0.00 0.00 -0.45 6.28 2.10 -1.14 0.31 116.57 123.67 1zts h LYS 109 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 1zts h LYS 109 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1zts h LYS 109 CO 0.00 0.00 0.30 -0.44 -2.00 0.00 0.00 179.45 177.31 1zts h ASP 110 N 0.00 0.38 -1.07 7.07 3.45 -1.81 -2.62 116.42 121.83 1zts h ASP 110 Ca 0.41 -0.00 -0.55 0.00 0.43 0.00 0.00 57.03 57.31 1zts h ASP 110 Cb 1.68 -0.09 -0.42 0.00 -0.56 0.00 0.00 39.33 39.94 1zts h ASP 110 CO -0.00 0.26 -0.80 -1.22 -1.57 0.00 0.00 179.24 175.91 1zts n TYR 111 N -4.48 2.96 -4.07 4.55 4.01 0.11 -4.99 117.16 115.25 1zts n TYR 111 Ca 0.05 -2.61 -0.32 0.00 -0.16 0.00 0.00 57.90 54.86 1zts n TYR 111 Cb 0.19 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.84 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 -4.94 2.20 -0.83 -0.72 1.01 -0.99 -4.71 120.40 111.42 1zts s VAL 112 Ca 0.49 -1.56 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1zts s VAL 112 Cb 0.40 -2.26 0.21 0.00 0.00 0.00 0.00 36.38 34.73 1zts s VAL 112 CO -0.06 0.02 0.71 -0.75 0.00 0.00 0.00 175.10 175.02 1zts s LYS 113 N 1.13 3.15 1.21 2.72 2.36 -1.25 -4.99 119.74 124.08 1zts s LYS 113 Ca -0.07 -3.07 -0.20 0.00 -2.55 0.00 0.00 55.97 50.08 1zts s LYS 113 Cb -0.19 -3.94 0.29 0.00 -1.05 0.00 0.00 37.83 32.94 1zts s LYS 113 CO -0.06 -1.24 1.11 -1.25 1.55 0.00 0.00 175.35 175.46 1zts s PRO 114 N -0.98 -1.32 -0.43 4.03 0.04 -1.26 -4.92 135.00 130.16 1zts s PRO 114 Ca 0.25 -0.10 0.10 0.00 0.04 0.00 0.00 61.00 61.29 1zts s PRO 114 Cb -0.10 -1.59 0.40 0.00 0.04 0.00 0.00 34.50 33.24 1zts s PRO 114 CO -0.10 -3.77 0.95 0.00 0.04 0.00 0.00 177.00 174.11 1zts n ALA 115 N -4.80 3.86 -2.43 8.56 0.00 -1.26 -5.08 120.51 119.36 1zts n ALA 115 Ca 0.14 -3.89 -0.26 0.00 0.00 0.00 0.00 53.44 49.43 1zts n ALA 115 Cb 0.60 -0.78 -0.12 0.00 0.00 0.00 0.00 19.45 19.15 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 -3.17 3.27 0.45 0.00 -0.00 -1.26 -5.15 116.67 110.81 1zts s ASP 116 Ca 0.41 -0.87 0.00 0.00 -0.00 0.00 0.00 52.55 52.09 1zts s ASP 116 Cb 0.38 -0.23 0.00 0.00 -0.00 0.00 0.00 42.92 43.06 1zts s ASP 116 CO -0.09 0.09 0.00 -0.81 -0.00 0.00 0.00 175.17 174.35 1zts n PRO 117 N 0.26 0.09 -0.22 8.23 -0.04 -1.26 -4.89 135.00 137.17 1zts n PRO 117 Ca -0.13 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1zts n PRO 117 Cb 0.56 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.15 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 -1.35 2.02 -0.11 3.54 -0.08 -1.26 -4.24 116.55 115.08 1zts n ASP 118 Ca 0.00 -2.17 0.26 0.00 -1.51 0.00 0.00 54.79 51.37 1zts n ASP 118 Cb 0.00 -0.39 0.72 0.00 2.34 0.00 0.00 41.12 43.79 1zts n ASP 118 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1zts h LEU 119 N 1.38 0.00-10.81 -2.67 8.10 -2.04 -3.42 115.31 105.85 1zts h LEU 119 Ca 0.00 0.00 -0.45 0.00 0.11 0.00 0.00 57.88 57.54 1zts h LEU 119 Cb 0.70 0.00 0.15 0.00 -0.44 0.00 0.00 40.66 41.07 1zts h LEU 119 CO 0.09 0.00 0.35 -1.61 -4.11 0.00 0.00 178.44 173.16 1zts s GLU 120 N -4.93 0.82 -0.82 0.17 2.02 -1.26 -4.40 118.70 110.30 1zts s GLU 120 Ca -0.05 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1zts s GLU 120 Cb 0.20 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.47 1zts s GLU 120 CO 0.73 -2.23 0.00 0.41 0.02 0.00 0.00 175.26 174.19 1zts n GLY 121 N -3.56 0.46 3.27 -1.39 0.00 -1.26 -5.02 105.19 97.68 1zts n GLY 121 Ca 0.16 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.39 1.75 -1.50 -0.61 1.01 -1.26 -4.67 121.20 113.53 1zts s ILE 122 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.35 1zts s ILE 122 Cb 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1zts s ILE 122 CO 0.00 0.17 0.00 -0.62 0.00 0.00 0.00 174.94 174.49 1zts n GLU 123 N 1.67 -1.40 -0.09 2.79 1.02 -1.26 -4.82 120.64 118.55 1zts n GLU 123 Ca -0.18 0.98 -0.19 0.00 -0.02 0.00 0.00 57.16 57.76 1zts n GLU 123 Cb 0.53 -5.28 -0.13 0.00 -0.02 0.00 0.00 31.44 26.55 1zts n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1zts n ALA 124 N 1.26 1.28 0.08 0.62 0.00 -1.26 -3.87 120.51 118.62 1zts n ALA 124 Ca -0.14 -0.96 -0.19 0.00 0.00 0.00 0.00 53.44 52.15 1zts n ALA 124 Cb 0.57 -0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 0.32 -0.43 0.00 3.64 -1.89 -3.27 116.57 114.96 1zts h LYS 125 Ca -0.53 -0.55 -0.02 0.00 -1.27 0.00 0.00 60.65 58.28 1zts h LYS 125 Cb 1.95 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.95 1zts h LYS 125 CO -0.03 1.21 0.17 0.28 -2.27 0.00 0.00 179.45 178.81 1zts h VAL 126 N 0.09 1.20 -0.48 2.00 2.07 -1.96 -1.98 116.25 117.18 1zts h VAL 126 Ca -0.26 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1zts h VAL 126 Cb 2.05 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1zts h VAL 126 CO 0.18 0.23 0.32 0.03 0.02 0.00 0.00 177.57 178.35 1zts h ARG 127 N 0.55 0.62 0.24 1.57 2.47 -1.70 0.22 114.38 118.34 1zts h ARG 127 Ca 0.14 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1zts h ARG 127 Cb 0.19 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1zts h ARG 127 CO -0.01 0.41 -0.12 1.98 0.56 0.00 0.00 179.97 182.79 1zts h MET 128 N 0.63 -0.31 -0.21 0.04 4.05 -1.52 -2.80 114.93 114.81 1zts h MET 128 Ca 0.18 0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.68 1zts h MET 128 Cb -0.04 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1zts h MET 128 CO -0.04 -0.21 0.21 0.00 0.23 0.00 0.00 176.91 177.10 1zts h ARG 129 N -0.53 0.00 -1.91 0.39 3.08 -1.34 -2.16 114.38 111.90 1zts h ARG 129 Ca -0.03 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.33 1zts h ARG 129 Cb 0.25 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.95 1zts h ARG 129 CO 0.05 0.00 0.20 0.45 -1.07 0.00 0.00 179.97 179.60 1zts n SER 130 N -3.93 6.10 -4.62 7.04 2.88 0.76 -5.01 113.62 116.83 1zts n SER 130 Ca 0.02 -3.75 -0.29 0.00 -1.33 0.00 0.00 58.87 53.52 1zts n SER 130 Cb 0.34 -0.80 -0.09 0.00 -0.75 0.00 0.00 64.21 62.91 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 -5.04 3.56 0.00 2.46 2.07 -0.82 -4.74 121.20 118.69 1zts s ILE 131 Ca 0.48 -1.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 1zts s ILE 131 Cb 0.37 -2.70 0.00 0.00 0.13 0.00 0.00 42.46 40.26 1zts s ILE 131 CO -0.26 0.06 0.00 0.18 -1.91 0.00 0.00 174.94 173.01 1zts n LEU 132 N 0.49 0.03 -1.57 8.50 4.77 -1.26 -4.91 117.00 123.05 1zts n LEU 132 Ca -0.12 0.01 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1zts n LEU 132 Cb 0.53 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1zts n LEU 132 CO 0.36 -0.27 0.07 -0.62 -1.33 0.00 0.00 177.39 175.59 1zts n GLU 133 N -2.03 0.20 -2.90 3.23 1.02 -1.26 -5.05 120.64 113.84 1zts n GLU 133 Ca 0.00 -2.17 -0.09 0.00 -0.02 0.00 0.00 57.16 54.88 1zts n GLU 133 Cb 0.00 -0.19 0.01 0.00 -0.02 0.00 0.00 31.44 31.24 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 0.36 -3.41 -3.81 -0.32 -0.00 -1.26 -5.01 115.22 101.77 1zts n HIS 134 Ca 0.07 1.42 -0.30 0.00 -0.00 0.00 0.00 57.72 58.90 1zts n HIS 134 Cb 1.11 -3.72 -0.14 0.00 -0.00 0.00 0.00 29.99 27.23 1zts n HIS 134 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1zts s HIS 135 N -2.21 2.39 -0.66 1.57 3.76 -1.26 -5.07 115.29 113.81 1zts s HIS 135 Ca 0.20 -2.36 -0.27 0.00 -0.15 0.00 0.00 55.06 52.48 1zts s HIS 135 Cb -0.05 -2.14 -0.00 0.00 1.11 0.00 0.00 32.58 31.50 1zts s HIS 135 CO 0.76 -0.85 1.62 -1.01 -0.85 0.00 0.00 174.74 174.40 1zts s HIS 136 N 0.91 1.92 0.19 1.40 3.76 -1.26 -4.83 115.29 117.38 1zts s HIS 136 Ca 0.13 0.45 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1zts s HIS 136 Cb -0.21 -4.31 0.00 0.00 1.11 0.00 0.00 32.58 29.17 1zts s HIS 136 CO -0.11 -2.21 0.00 1.58 -0.85 0.00 0.00 174.74 173.14 1zts n HIS 137 N 11.34 -2.92 -4.69 1.40 -0.00 -1.26 -4.79 115.22 114.31 1zts n HIS 137 Ca 0.13 1.02 -0.33 0.00 -0.00 0.00 0.00 57.72 58.54 1zts n HIS 137 Cb 0.51 -1.77 -0.15 0.00 -0.00 0.00 0.00 29.99 28.58 1zts n HIS 137 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1zts s HIS 138 N -1.27 2.75 0.00 1.57 2.46 -1.26 -5.22 115.29 114.32 1zts s HIS 138 Ca 0.00 -0.97 0.00 0.00 0.47 0.00 0.00 55.06 54.56 1zts s HIS 138 Cb 0.00 -1.85 0.00 0.00 -0.13 0.00 0.00 32.58 30.60 1zts s HIS 138 CO 0.00 -0.42 0.00 0.72 -2.47 0.00 0.00 174.74 172.57