#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zoy s SER 36 N 0.00 6.24 -0.71 -3.46 0.15 -1.26 -4.95 113.70 109.72 1zoy s SER 36 Ca 0.00 2.53 0.01 0.00 0.70 0.00 0.00 55.95 59.19 1zoy s SER 36 Cb 0.00 -2.63 0.37 0.00 -1.71 0.00 0.00 66.02 62.05 1zoy s SER 36 CO 0.00 -0.88 1.60 2.29 1.20 0.00 0.00 173.24 177.44 1zoy n LYS 37 N -0.09 3.36 0.17 5.44 2.85 -1.26 -4.84 118.16 123.79 1zoy n LYS 37 Ca 0.05 -4.12 -0.14 0.00 -1.05 0.00 0.00 58.31 53.05 1zoy n LYS 37 Cb 0.45 -2.29 -0.07 0.00 -0.65 0.00 0.00 35.03 32.47 1zoy n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1zoy h ALA 38 N 3.01 -0.40 -0.40 0.58 0.00 -1.99 -1.83 119.26 118.22 1zoy h ALA 38 Ca 0.44 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.33 1zoy h ALA 38 Cb 0.40 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1zoy h ALA 38 CO 1.15 -0.74 0.10 0.00 0.00 0.00 0.00 179.25 179.77 1zoy h ALA 39 N 0.31 0.45 -0.69 0.00 0.00 -2.00 -1.14 119.26 116.19 1zoy h ALA 39 Ca -0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1zoy h ALA 39 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1zoy h ALA 39 CO 0.02 -0.30 0.23 0.66 0.00 0.00 0.00 179.25 179.86 1zoy h SER 40 N 0.24 1.00 -0.61 0.00 4.64 -1.94 -2.12 113.55 114.75 1zoy h SER 40 Ca 0.19 -0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1zoy h SER 40 Cb 0.22 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1zoy h SER 40 CO -0.24 0.93 0.05 -0.07 -0.87 0.00 0.00 176.83 176.63 1zoy h LEU 41 N 1.01 1.01 -0.75 5.97 3.38 -0.89 -2.17 115.31 122.87 1zoy h LEU 41 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1zoy h LEU 41 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1zoy h LEU 41 CO -0.01 1.05 0.38 -0.74 0.09 0.00 0.00 178.44 179.21 1zoy h HIS 42 N 0.95 1.06 -0.23 1.13 2.76 -1.08 0.17 115.15 119.91 1zoy h HIS 42 Ca 0.18 -0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1zoy h HIS 42 Cb 0.50 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1zoy h HIS 42 CO 0.04 0.77 0.02 2.35 -1.30 0.00 0.00 177.93 179.80 1zoy h TRP 43 N 1.05 0.02 -0.59 5.26 7.01 -1.05 -1.41 115.95 126.24 1zoy h TRP 43 Ca 0.26 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.21 1zoy h TRP 43 Cb 0.09 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 1zoy h TRP 43 CO 0.01 -0.02 0.12 1.79 -2.79 0.00 0.00 178.44 177.55 1zoy h THR 44 N 0.09 1.25 -0.50 2.65 1.35 -1.03 -2.83 112.91 113.90 1zoy h THR 44 Ca 0.11 -0.95 0.10 0.00 -0.55 0.00 0.00 66.41 65.12 1zoy h THR 44 Cb 0.13 0.73 -0.09 0.00 -1.73 0.00 0.00 68.15 67.19 1zoy h THR 44 CO -0.17 0.35 -0.11 1.23 -0.25 0.00 0.00 175.52 176.58 1zoy h GLY 45 N 0.87 0.39 0.50 5.82 0.00 -0.02 -0.54 103.07 110.08 1zoy h GLY 45 Ca 0.18 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.71 1zoy h GLY 45 CO 0.01 -0.18 -0.03 0.83 0.00 0.00 0.00 176.54 177.16 1zoy h GLU 46 N 0.02 0.04 -0.29 4.80 5.08 -1.05 -2.06 114.58 121.12 1zoy h GLU 46 Ca 0.24 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1zoy h GLU 46 Cb 0.37 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1zoy h GLU 46 CO -0.50 0.03 0.10 0.00 -1.00 0.00 0.00 179.01 177.63 1zoy h ARG 47 N 0.04 0.22 -0.04 2.33 2.47 -1.07 -0.72 114.38 117.61 1zoy h ARG 47 Ca 0.14 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1zoy h ARG 47 Cb 0.19 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.41 1zoy h ARG 47 CO -0.26 0.14 -0.34 0.28 0.56 0.00 0.00 179.97 180.36 1zoy h VAL 48 N 0.22 0.27 0.00 2.04 2.07 -0.49 0.20 116.25 120.57 1zoy h VAL 48 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1zoy h VAL 48 Cb 0.10 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1zoy h VAL 48 CO -0.14 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.08 1zoy h VAL 49 N -0.46 0.00 -0.34 2.57 -1.51 -1.29 -0.03 116.25 115.19 1zoy h VAL 49 Ca 0.07 -0.38 -0.15 0.00 -1.23 0.00 0.00 66.70 65.01 1zoy h VAL 49 Cb 0.57 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1zoy h VAL 49 CO -0.30 0.00 -0.38 0.28 -1.23 0.00 0.00 177.57 175.94 1zoy h SER 50 N 0.00 0.92 0.70 4.19 0.02 0.84 0.12 113.55 120.33 1zoy h SER 50 Ca 0.00 -0.48 -0.18 0.00 -0.84 0.00 0.00 61.79 60.29 1zoy h SER 50 Cb 0.41 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1zoy h SER 50 CO 0.00 1.21 -0.83 -0.37 -1.14 0.00 0.00 176.83 175.70 1zoy h VAL 51 N 0.64 1.54 0.01 2.27 -1.51 0.05 -2.80 116.25 116.45 1zoy h VAL 51 Ca 0.05 -2.68 -0.00 0.00 -1.23 0.00 0.00 66.70 62.84 1zoy h VAL 51 Cb 0.97 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 32.60 1zoy h VAL 51 CO 0.09 0.77 -0.00 0.25 -1.23 0.00 0.00 177.57 177.45 1zoy h LEU 52 N 0.05 -0.01 -2.02 4.19 5.85 -0.86 -0.82 115.31 121.69 1zoy h LEU 52 Ca -0.02 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1zoy h LEU 52 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1zoy h LEU 52 CO 0.12 0.25 0.00 0.25 -0.34 0.00 0.00 178.44 178.72 1zoy h LEU 53 N -0.27 0.00 0.11 2.25 5.85 -0.81 -0.71 115.31 121.73 1zoy h LEU 53 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 1zoy h LEU 53 Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1zoy h LEU 53 CO 0.00 0.00 -1.30 0.25 -0.34 0.00 0.00 178.44 177.05 1zoy h LEU 54 N 0.00 0.38 0.00 2.25 5.85 -1.09 -3.22 115.31 119.48 1zoy h LEU 54 Ca 0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1zoy h LEU 54 Cb 0.18 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 1zoy h LEU 54 CO 0.00 1.34 -0.29 1.23 -0.34 0.00 0.00 178.44 180.39 1zoy h GLY 55 N 1.76 0.00 0.49 3.75 0.00 0.05 -3.36 103.07 105.76 1zoy h GLY 55 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1zoy h GLY 55 CO 0.19 0.00 -0.15 1.41 0.00 0.00 0.00 176.54 177.99 1zoy h LEU 56 N 0.00 0.18 -0.60 3.11 3.38 -1.24 -2.67 115.31 117.47 1zoy h LEU 56 Ca -0.00 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.42 1zoy h LEU 56 Cb 1.04 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 1zoy h LEU 56 CO 0.01 0.81 -0.25 -0.07 0.09 0.00 0.00 178.44 179.03 1zoy h LEU 57 N -0.43 -0.87 0.26 1.67 3.38 -1.70 0.83 115.31 118.45 1zoy h LEU 57 Ca -0.01 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1zoy h LEU 57 Cb 0.81 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1zoy h LEU 57 CO 0.03 -0.26 -0.13 -0.65 0.09 0.00 0.00 178.44 177.52 1zoy h PRO 58 N -0.09 -0.34 -0.83 1.13 0.11 -1.75 -2.92 132.00 127.32 1zoy h PRO 58 Ca 0.27 0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.61 1zoy h PRO 58 Cb 0.52 0.08 -0.14 0.00 0.11 0.00 0.00 31.00 31.57 1zoy h PRO 58 CO -0.66 -0.09 0.15 0.00 -0.21 0.00 0.00 178.00 177.19 1zoy h ALA 59 N 0.13 1.08 0.00 -0.75 0.00 -0.86 0.47 119.26 119.33 1zoy h ALA 59 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1zoy h ALA 59 Cb 0.41 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1zoy h ALA 59 CO 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.87 1zoy h ALA 60 N 1.75 1.00 0.00 0.00 0.00 0.76 0.07 119.26 122.84 1zoy h ALA 60 Ca 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 1zoy h ALA 60 Cb 0.95 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1zoy h ALA 60 CO -0.66 0.00 -0.39 -0.92 0.00 0.00 0.00 179.25 177.29 1zoy h TYR 61 N 0.00 0.00 -0.30 0.00 3.20 0.11 -3.24 116.97 116.74 1zoy h TYR 61 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1zoy h TYR 61 Cb 0.29 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 1zoy h TYR 61 CO 0.00 0.69 0.06 -0.07 -1.64 0.00 0.00 178.16 177.21 1zoy h LEU 62 N -1.00 0.40 -6.39 2.82 3.38 -1.25 -3.36 115.31 109.90 1zoy h LEU 62 Ca -0.08 -0.05 -0.59 0.00 0.09 0.00 0.00 57.88 57.25 1zoy h LEU 62 Cb 0.73 -0.10 -0.38 0.00 0.09 0.00 0.00 40.66 41.00 1zoy h LEU 62 CO -0.05 0.41 -0.95 -3.20 0.09 0.00 0.00 178.44 174.74 1zoy n ASN 63 N -4.36 -0.08 -4.72 -0.43 5.15 0.00 -5.11 115.26 105.71 1zoy n ASN 63 Ca 0.01 -2.48 -0.42 0.00 -0.60 0.00 0.00 54.58 51.09 1zoy n ASN 63 Cb 0.18 -0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 38.82 1zoy n ASN 63 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1zoy s PRO 64 N -0.21 4.38 0.00 1.20 0.02 -1.22 -4.60 135.00 134.57 1zoy s PRO 64 Ca 0.33 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 63.01 1zoy s PRO 64 Cb 0.04 -3.28 0.10 0.00 0.02 0.00 0.00 34.50 31.38 1zoy s PRO 64 CO -0.19 -0.34 0.89 0.00 -0.33 0.00 0.00 177.00 177.03 1zoy h SER 66 N 2.00 0.26 0.28 0.00 0.87 -1.97 -1.28 113.55 113.71 1zoy h SER 66 Ca -0.22 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1zoy h SER 66 Cb 1.24 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1zoy h SER 66 CO 0.31 0.12 -0.13 0.00 -0.53 0.00 0.00 176.83 176.59 1zoy h ALA 67 N 1.62 -0.37 -0.70 6.23 0.00 -1.96 -2.82 119.26 121.26 1zoy h ALA 67 Ca 0.41 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1zoy h ALA 67 Cb 1.19 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1zoy h ALA 67 CO -0.11 -0.64 0.35 1.98 0.00 0.00 0.00 179.25 180.84 1zoy h MET 68 N -0.51 0.59 0.00 0.00 -1.53 -1.59 -1.52 114.93 110.37 1zoy h MET 68 Ca -0.04 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1zoy h MET 68 Cb 0.38 -0.13 -0.00 0.00 -0.55 0.00 0.00 31.60 31.30 1zoy h MET 68 CO 0.06 0.39 -0.00 -0.44 0.14 0.00 0.00 176.91 177.06 1zoy h ASP 69 N 0.60 0.00 0.00 1.39 3.32 -1.17 0.49 116.42 121.06 1zoy h ASP 69 Ca 0.34 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 1zoy h ASP 69 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1zoy h ASP 69 CO -0.26 0.00 -0.46 1.88 -1.72 0.00 0.00 179.24 178.68 1zoy h TYR 70 N 0.00 0.00 -0.40 4.55 -1.99 -1.05 -2.94 116.97 115.14 1zoy h TYR 70 Ca -0.00 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.75 1zoy h TYR 70 Cb 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1zoy h TYR 70 CO 0.00 0.84 0.27 0.66 -0.00 0.00 0.00 178.16 179.93 1zoy h SER 71 N -1.00 0.42 0.41 3.88 4.64 -1.38 0.25 113.55 120.78 1zoy h SER 71 Ca -0.11 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1zoy h SER 71 Cb 0.85 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1zoy h SER 71 CO -0.07 0.30 -0.32 0.25 -0.87 0.00 0.00 176.83 176.13 1zoy h LEU 72 N 0.49 0.00 0.11 5.97 5.85 -1.02 -0.84 115.31 125.87 1zoy h LEU 72 Ca 0.15 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.60 1zoy h LEU 72 Cb 0.01 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1zoy h LEU 72 CO -0.04 0.32 -1.27 0.00 -0.34 0.00 0.00 178.44 177.11 1zoy h ALA 73 N 1.68 0.16 0.76 1.25 0.00 -0.46 -2.22 119.26 120.44 1zoy h ALA 73 Ca -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 1zoy h ALA 73 Cb 0.61 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1zoy h ALA 73 CO 0.04 1.04 -0.37 0.00 0.00 0.00 0.00 179.25 179.97 1zoy h ALA 74 N 0.62 -1.08 -0.78 0.00 0.00 -0.21 -2.21 119.26 115.59 1zoy h ALA 74 Ca -0.14 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1zoy h ALA 74 Cb 1.96 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 20.10 1zoy h ALA 74 CO 0.19 -1.01 0.50 0.00 0.00 0.00 0.00 179.25 178.93 1zoy h ALA 75 N -1.35 1.01 -0.94 0.00 0.00 -1.30 -0.05 119.26 116.63 1zoy h ALA 75 Ca -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1zoy h ALA 75 Cb 0.78 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1zoy h ALA 75 CO 0.17 0.34 0.62 1.25 0.00 0.00 0.00 179.25 181.63 1zoy h LEU 76 N 1.00 1.08 0.21 0.00 5.85 -1.44 -0.80 115.31 121.21 1zoy h LEU 76 Ca 0.30 -0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.66 1zoy h LEU 76 Cb -0.04 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 40.75 1zoy h LEU 76 CO -0.09 0.78 -1.53 0.71 -0.34 0.00 0.00 178.44 177.97 1zoy h THR 77 N 1.27 1.15 0.36 1.05 1.35 -1.09 -3.03 112.91 113.97 1zoy h THR 77 Ca 0.34 -2.59 -0.02 0.00 -0.55 0.00 0.00 66.41 63.59 1zoy h THR 77 Cb -0.14 2.93 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1zoy h THR 77 CO -0.07 0.81 -0.18 0.25 -0.25 0.00 0.00 175.52 176.08 1zoy h LEU 78 N 0.06 -0.43 -0.98 3.87 6.46 -0.95 0.11 115.31 123.45 1zoy h LEU 78 Ca -0.29 0.02 0.34 0.00 -0.12 0.00 0.00 57.88 57.83 1zoy h LEU 78 Cb 2.08 0.11 -0.16 0.00 -0.73 0.00 0.00 40.66 41.96 1zoy h LEU 78 CO 0.21 -0.30 0.42 -0.74 -0.62 0.00 0.00 178.44 177.41 1zoy h HIS 79 N -0.49 0.64 -0.03 1.25 2.76 -1.31 0.88 115.15 118.85 1zoy h HIS 79 Ca -0.05 0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 1zoy h HIS 79 Cb 0.38 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 1zoy h HIS 79 CO 0.13 -0.33 -0.64 0.78 -1.30 0.00 0.00 177.93 176.56 1zoy h GLY 80 N 0.14 0.13 0.66 5.26 0.00 -1.36 -0.88 103.07 107.02 1zoy h GLY 80 Ca 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1zoy h GLY 80 CO -0.72 0.15 -0.07 0.84 0.00 0.00 0.00 176.54 176.74 1zoy h HIS 81 N 0.08 -0.18 -0.23 5.60 6.17 0.34 -1.32 115.15 125.62 1zoy h HIS 81 Ca -0.01 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.05 1zoy h HIS 81 Cb 1.15 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 31.13 1zoy h HIS 81 CO 0.01 0.16 0.05 -1.49 0.71 0.00 0.00 177.93 177.38 1zoy h TRP 82 N -0.54 0.33 0.58 5.26 6.55 -1.12 -1.00 115.95 126.00 1zoy h TRP 82 Ca -0.02 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.78 1zoy h TRP 82 Cb 0.42 -0.10 0.01 0.00 -0.86 0.00 0.00 29.16 28.62 1zoy h TRP 82 CO 0.04 0.30 -0.28 0.78 -1.05 0.00 0.00 178.44 178.22 1zoy h GLY 83 N 0.53 -0.81 2.00 1.49 0.00 -0.93 -2.31 103.07 103.05 1zoy h GLY 83 Ca 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1zoy h GLY 83 CO -0.00 -0.29 -0.05 -2.22 0.00 0.00 0.00 176.54 173.97 1zoy h ILE 84 N -0.98 1.04 -0.24 2.60 1.08 -1.16 -1.62 117.51 118.22 1zoy h ILE 84 Ca -0.08 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 1zoy h ILE 84 Cb 0.65 1.10 -0.06 0.00 -3.07 0.00 0.00 36.82 35.44 1zoy h ILE 84 CO 0.13 0.05 -0.14 1.23 -0.69 0.00 0.00 178.15 178.73 1zoy h GLY 85 N 0.16 0.05 1.12 5.37 0.00 -0.88 0.91 103.07 109.80 1zoy h GLY 85 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1zoy h GLY 85 CO 0.01 -0.15 0.59 1.46 0.00 0.00 0.00 176.54 178.44 1zoy h GLN 86 N -0.12 1.18 -0.21 4.80 1.08 -0.74 -0.66 115.11 120.44 1zoy h GLN 86 Ca 0.13 -0.07 -0.09 0.00 -1.45 0.00 0.00 58.65 57.17 1zoy h GLN 86 Cb 0.32 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1zoy h GLN 86 CO -0.32 0.78 -0.25 0.28 -0.95 0.00 0.00 178.83 178.37 1zoy h VAL 87 N 1.22 1.26 0.21 -0.54 2.07 -1.03 -2.09 116.25 117.35 1zoy h VAL 87 Ca 0.33 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1zoy h VAL 87 Cb -0.14 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1zoy h VAL 87 CO -0.07 0.38 -0.10 0.58 0.02 0.00 0.00 177.57 178.38 1zoy h VAL 88 N 0.35 0.79 -0.02 2.57 2.07 0.17 -1.75 116.25 120.43 1zoy h VAL 88 Ca 0.05 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1zoy h VAL 88 Cb 0.63 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1zoy h VAL 88 CO 0.05 0.18 0.02 0.71 0.02 0.00 0.00 177.57 178.55 1zoy h THR 89 N -0.83 0.44 0.00 2.57 1.35 -1.15 0.16 112.91 115.45 1zoy h THR 89 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1zoy h THR 89 Cb 0.51 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1zoy h THR 89 CO 0.05 0.00 -0.00 0.44 -0.25 0.00 0.00 175.52 175.76 1zoy h ASP 90 N 0.00 -0.00 0.24 5.36 5.19 -1.29 -3.40 116.42 122.51 1zoy h ASP 90 Ca 0.01 -0.69 -0.15 0.00 -0.62 0.00 0.00 57.03 55.59 1zoy h ASP 90 Cb 0.05 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.53 1zoy h ASP 90 CO -0.00 0.69 -1.91 -1.22 -3.12 0.00 0.00 179.24 173.68 1zoy n TYR 91 N -4.76 0.30 -3.02 4.55 0.53 -0.67 -4.88 117.16 109.22 1zoy n TYR 91 Ca -0.09 0.10 -0.43 0.00 -1.02 0.00 0.00 57.90 56.45 1zoy n TYR 91 Cb 0.34 -0.82 -0.06 0.00 -1.03 0.00 0.00 39.34 37.78 1zoy n TYR 91 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1zoy s VAL 92 N -3.07 4.69 -0.18 -0.72 1.01 0.01 -5.03 120.40 117.11 1zoy s VAL 92 Ca -0.07 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1zoy s VAL 92 Cb 0.10 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1zoy s VAL 92 CO 0.85 -0.81 0.36 -0.13 0.00 0.00 0.00 175.10 175.37 1zoy s ARG 93 N 3.17 4.23 0.00 2.72 1.81 -1.26 -4.57 118.95 125.04 1zoy s ARG 93 Ca 0.24 0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.42 1zoy s ARG 93 Cb -0.15 -3.48 0.00 0.00 -0.45 0.00 0.00 34.95 30.88 1zoy s ARG 93 CO 0.18 0.10 0.00 0.41 -0.68 0.00 0.00 175.30 175.31 1zoy n GLY 94 N 3.64 3.71 0.24 -3.53 0.00 -1.26 -4.77 105.19 103.22 1zoy n GLY 94 Ca -0.10 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 1zoy n GLY 94 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1zoy h ASP 95 N 0.00 -0.55 0.00 1.61 1.82 -2.00 -1.93 116.42 115.38 1zoy h ASP 95 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1zoy h ASP 95 Cb 0.00 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1zoy h ASP 95 CO 0.00 -0.28 0.00 0.00 -1.61 0.00 0.00 179.24 177.35 1zoy n ALA 96 N -2.49 -0.04 0.16 -0.78 0.00 -1.26 -2.19 120.51 113.91 1zoy n ALA 96 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1zoy n ALA 96 Cb 0.24 0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1zoy n ALA 96 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1zoy h LEU 97 N 0.00 -1.15 -0.77 0.00 3.38 -1.85 -2.63 115.31 112.28 1zoy h LEU 97 Ca 0.00 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.24 1zoy h LEU 97 Cb 0.00 0.42 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 1zoy h LEU 97 CO 0.00 -0.50 0.30 -0.61 0.09 0.00 0.00 178.44 177.72 1zoy h GLN 98 N -0.70 0.41 -0.49 1.13 4.15 -1.38 0.58 115.11 118.81 1zoy h GLN 98 Ca 0.00 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1zoy h GLN 98 Cb 0.69 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 1zoy h GLN 98 CO -0.17 0.27 0.25 -0.22 -1.93 0.00 0.00 178.83 177.04 1zoy h LYS 99 N 0.43 0.49 0.35 1.69 3.64 -1.29 0.28 116.57 122.16 1zoy h LYS 99 Ca 0.43 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1zoy h LYS 99 Cb 0.68 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1zoy h LYS 99 CO -0.43 0.32 -0.17 0.00 -2.27 0.00 0.00 179.45 176.91 1zoy h ALA 100 N 1.25 -0.47 -0.61 5.00 0.00 -0.68 -2.54 119.26 121.21 1zoy h ALA 100 Ca 0.21 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1zoy h ALA 100 Cb 0.10 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 1zoy h ALA 100 CO -0.14 -0.61 -0.24 0.00 0.00 0.00 0.00 179.25 178.27 1zoy h ALA 101 N -0.28 0.22 -0.96 0.00 0.00 0.38 0.51 119.26 119.12 1zoy h ALA 101 Ca -0.05 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.17 1zoy h ALA 101 Cb 0.52 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1zoy h ALA 101 CO 0.08 -0.54 0.60 0.87 0.00 0.00 0.00 179.25 180.26 1zoy h LYS 102 N -0.08 0.97 0.02 0.00 1.79 -0.44 0.32 116.57 119.14 1zoy h LYS 102 Ca 0.28 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1zoy h LYS 102 Cb 0.51 -0.22 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1zoy h LYS 102 CO -0.67 0.64 -0.01 0.00 -1.08 0.00 0.00 179.45 178.34 1zoy h ALA 103 N 1.49 -0.02 -0.20 3.86 0.00 0.32 -1.45 119.26 123.26 1zoy h ALA 103 Ca 0.45 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1zoy h ALA 103 Cb 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1zoy h ALA 103 CO -0.23 -0.41 -0.08 0.78 0.00 0.00 0.00 179.25 179.31 1zoy h GLY 104 N -0.23 0.34 0.91 0.00 0.00 -0.32 -2.36 103.07 101.41 1zoy h GLY 104 Ca -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1zoy h GLY 104 CO 0.00 0.19 0.08 -2.00 0.00 0.00 0.00 176.54 174.81 1zoy h LEU 105 N 0.30 0.51 -0.98 3.11 5.85 -0.69 -2.20 115.31 121.21 1zoy h LEU 105 Ca 0.06 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.61 1zoy h LEU 105 Cb 0.34 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1zoy h LEU 105 CO 0.02 0.61 0.63 0.25 -0.34 0.00 0.00 178.44 179.61 1zoy h LEU 106 N 0.38 1.02 0.31 2.25 5.85 -0.84 -1.27 115.31 123.02 1zoy h LEU 106 Ca 0.10 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1zoy h LEU 106 Cb 0.31 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1zoy h LEU 106 CO 0.00 0.66 -0.19 0.00 -0.34 0.00 0.00 178.44 178.57 1zoy h ALA 107 N 1.44 -1.05 -0.98 1.25 0.00 -1.18 -0.72 119.26 118.02 1zoy h ALA 107 Ca 0.42 -0.10 0.33 0.00 0.00 0.00 0.00 54.91 55.56 1zoy h ALA 107 Cb 0.13 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 18.06 1zoy h ALA 107 CO -0.16 -1.03 0.48 1.25 0.00 0.00 0.00 179.25 179.79 1zoy h LEU 108 N -0.47 0.33 -0.42 0.00 6.46 -1.19 0.45 115.31 120.46 1zoy h LEU 108 Ca -0.04 0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.85 1zoy h LEU 108 Cb 0.38 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 1zoy h LEU 108 CO 0.04 -0.24 -0.05 0.28 -0.62 0.00 0.00 178.44 177.86 1zoy h SER 109 N 0.20 0.78 0.08 1.25 0.02 -0.98 -1.11 113.55 113.79 1zoy h SER 109 Ca 0.73 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1zoy h SER 109 Cb 1.73 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.06 1zoy h SER 109 CO -0.68 0.93 -0.04 0.00 -1.14 0.00 0.00 176.83 175.90 1zoy h ALA 110 N 0.87 -0.11 0.00 3.77 0.00 0.14 0.90 119.26 124.83 1zoy h ALA 110 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1zoy h ALA 110 Cb 0.56 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1zoy h ALA 110 CO 0.03 -0.49 -0.04 0.74 0.00 0.00 0.00 179.25 179.50 1zoy h PHE 111 N -0.27 0.00 0.08 0.00 -1.00 -1.08 -0.83 116.94 113.84 1zoy h PHE 111 Ca -0.01 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 1zoy h PHE 111 Cb 0.23 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.80 1zoy h PHE 111 CO -0.02 0.04 -0.51 1.15 -1.61 0.00 0.00 178.31 177.36 1zoy h THR 112 N 0.00 1.60 -0.52 -1.55 2.02 -0.61 -2.10 112.91 111.76 1zoy h THR 112 Ca -0.00 -2.42 -0.12 0.00 0.77 0.00 0.00 66.41 64.64 1zoy h THR 112 Cb 0.30 3.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 1zoy h THR 112 CO 0.01 0.67 -0.14 0.15 0.37 0.00 0.00 175.52 176.57 1zoy h PHE 113 N -0.57 1.15 0.09 3.16 3.57 -0.53 -1.80 116.94 122.01 1zoy h PHE 113 Ca -0.09 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1zoy h PHE 113 Cb 1.38 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1zoy h PHE 113 CO 0.22 1.08 -0.04 0.00 -2.23 0.00 0.00 178.31 177.34 1zoy h ALA 114 N 0.91 -0.12 -0.75 2.41 0.00 -1.28 -0.84 119.26 119.60 1zoy h ALA 114 Ca 0.13 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1zoy h ALA 114 Cb 0.71 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1zoy h ALA 114 CO 0.05 -0.48 0.50 0.78 0.00 0.00 0.00 179.25 180.10 1zoy h GLY 115 N -0.28 0.75 1.01 0.00 0.00 -1.30 0.35 103.07 103.59 1zoy h GLY 115 Ca -0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 1zoy h GLY 115 CO 0.02 0.07 -0.72 1.41 0.00 0.00 0.00 176.54 177.32 1zoy h LEU 116 N 0.46 0.75 -0.92 3.11 3.38 -1.03 -2.13 115.31 118.92 1zoy h LEU 116 Ca 0.36 -0.69 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1zoy h LEU 116 Cb 0.78 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1zoy h LEU 116 CO -0.12 1.33 -0.01 0.00 0.09 0.00 0.00 178.44 179.73 1zoy h TYR 118 N 0.73 -0.16 -0.89 0.00 3.20 -0.34 -0.80 116.97 118.71 1zoy h TYR 118 Ca 0.14 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.10 1zoy h TYR 118 Cb 0.46 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.72 1zoy h TYR 118 CO 0.02 -0.10 0.58 0.35 -1.64 0.00 0.00 178.16 177.37 1zoy h PHE 119 N -0.15 0.97 0.00 -3.82 3.57 -1.01 0.45 116.94 116.95 1zoy h PHE 119 Ca 0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1zoy h PHE 119 Cb 0.14 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1zoy h PHE 119 CO -0.10 0.46 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.28 1zoy h ASN 120 N 0.91 0.00 0.00 0.41 2.35 -0.58 -2.18 115.58 116.49 1zoy h ASN 120 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1zoy h ASN 120 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1zoy h ASN 120 CO -0.17 0.25 -0.21 0.22 -1.65 0.00 0.00 177.43 175.87 1zoy h TYR 121 N 0.00 0.00 -0.16 1.19 3.20 0.31 -3.40 116.97 118.11 1zoy h TYR 121 Ca -0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1zoy h TYR 121 Cb 0.90 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1zoy h TYR 121 CO 0.00 0.00 0.07 0.72 -1.64 0.00 0.00 178.16 177.31 1zoy n HIS 122 N -3.24 0.52 -3.22 -3.82 8.25 0.14 -4.90 115.22 108.95 1zoy n HIS 122 Ca -0.03 -0.49 -0.01 0.00 -0.26 0.00 0.00 57.72 56.94 1zoy n HIS 122 Cb 0.11 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1zoy n HIS 122 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1zoy n ASP 123 N 0.15 -0.26 -0.19 0.41 -0.08 -0.82 -4.92 116.55 110.84 1zoy n ASP 123 Ca 0.09 -1.17 -0.00 0.00 -1.51 0.00 0.00 54.79 52.20 1zoy n ASP 123 Cb 0.60 0.42 0.08 0.00 2.34 0.00 0.00 41.12 44.57 1zoy n ASP 123 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1zoy h VAL 124 N 1.12 0.51 0.00 5.18 2.07 -1.89 -3.43 116.25 119.81 1zoy h VAL 124 Ca -0.04 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1zoy h VAL 124 Cb 0.15 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1zoy h VAL 124 CO 0.05 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1zoy n GLY 125 N -1.36 2.70 0.28 2.17 0.00 -1.22 -4.56 105.19 103.20 1zoy n GLY 125 Ca 0.08 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.54 1zoy n GLY 125 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1zoy h ILE 126 N 0.00 0.66 0.31 -0.61 3.07 -1.88 -1.37 117.51 117.69 1zoy h ILE 126 Ca 0.00 -0.16 -0.01 0.00 1.55 0.00 0.00 64.86 66.24 1zoy h ILE 126 Cb 0.00 0.15 -0.02 0.00 -0.27 0.00 0.00 36.82 36.68 1zoy h ILE 126 CO 0.00 0.09 -0.40 0.00 -1.05 0.00 0.00 178.15 176.79 1zoy h LYS 128 N -0.72 0.00 -0.35 0.00 1.63 -1.76 -0.63 116.57 114.74 1zoy h LYS 128 Ca -0.04 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.61 1zoy h LYS 128 Cb 0.65 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.28 1zoy h LYS 128 CO -0.10 0.05 -0.39 0.00 -3.45 0.00 0.00 179.45 175.56 1zoy h ALA 129 N 1.95 0.51 0.09 5.00 0.00 -0.68 0.18 119.26 126.32 1zoy h ALA 129 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1zoy h ALA 129 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1zoy h ALA 129 CO 0.01 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 180.11 1zoy h VAL 130 N 0.68 1.04 0.18 0.00 2.07 0.12 0.14 116.25 120.47 1zoy h VAL 130 Ca 0.05 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1zoy h VAL 130 Cb 0.99 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1zoy h VAL 130 CO 0.09 0.12 -0.53 0.00 0.02 0.00 0.00 177.57 177.28 1zoy h ALA 131 N 0.53 -1.03 -0.08 1.67 0.00 -1.06 0.36 119.26 119.65 1zoy h ALA 131 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1zoy h ALA 131 Cb 0.30 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1zoy h ALA 131 CO 0.02 -1.14 -0.38 0.52 0.00 0.00 0.00 179.25 178.27 1zoy h MET 132 N -0.80 -0.47 -0.56 0.00 2.86 -0.62 -0.24 114.93 115.10 1zoy h MET 132 Ca -0.02 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 1zoy h MET 132 Cb 0.78 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1zoy h MET 132 CO -0.25 -0.31 0.51 1.25 1.06 0.00 0.00 176.91 179.17 1zoy h LEU 133 N -0.49 0.00 0.00 1.22 5.85 -0.32 -2.70 115.31 118.87 1zoy h LEU 133 Ca 0.07 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1zoy h LEU 133 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1zoy h LEU 133 CO -0.34 0.00 -0.01 -0.25 -0.34 0.00 0.00 178.44 177.50 1zoy h TRP 134 N 0.00 0.01 0.00 1.25 -0.00 0.90 -3.33 115.95 114.77 1zoy h TRP 134 Ca 0.27 -0.00 -0.65 0.00 -0.00 0.00 0.00 58.89 58.50 1zoy h TRP 134 Cb 1.29 -0.00 0.02 0.00 -0.00 0.00 0.00 29.16 30.48 1zoy h TRP 134 CO 0.00 0.96 3.69 0.36 -0.00 0.00 0.00 178.44 183.45 1zoy n LYS 135 N -4.63 3.49 0.00 2.65 2.85 -0.98 -5.12 118.16 116.42 1zoy n LYS 135 Ca -0.10 -2.17 0.00 0.00 -1.05 0.00 0.00 58.31 54.99 1zoy n LYS 135 Cb 0.46 -2.81 0.00 0.00 -0.65 0.00 0.00 35.03 32.03 1zoy n LYS 135 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24