#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zp0 s SER 36 N 0.00 6.19 -0.76 -3.46 0.15 -1.26 -4.95 113.70 109.62 1zp0 s SER 36 Ca 0.00 2.73 0.01 0.00 0.70 0.00 0.00 55.95 59.39 1zp0 s SER 36 Cb 0.00 -2.64 0.36 0.00 -1.71 0.00 0.00 66.02 62.03 1zp0 s SER 36 CO 0.00 -0.94 1.61 2.29 1.20 0.00 0.00 173.24 177.40 1zp0 n LYS 37 N 0.04 3.63 0.28 5.44 2.85 -1.26 -4.84 118.16 124.30 1zp0 n LYS 37 Ca 0.04 -4.22 -0.16 0.00 -1.05 0.00 0.00 58.31 52.91 1zp0 n LYS 37 Cb 0.43 -2.31 -0.08 0.00 -0.65 0.00 0.00 35.03 32.42 1zp0 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1zp0 h ALA 38 N 3.19 -0.74 -0.58 0.58 0.00 -1.99 -2.09 119.26 117.63 1zp0 h ALA 38 Ca 0.44 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1zp0 h ALA 38 Cb 0.37 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1zp0 h ALA 38 CO 1.15 -0.93 0.16 0.00 0.00 0.00 0.00 179.25 179.63 1zp0 h ALA 39 N -0.26 0.71 -0.44 0.00 0.00 -2.00 -0.85 119.26 116.42 1zp0 h ALA 39 Ca -0.05 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1zp0 h ALA 39 Cb 0.60 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1zp0 h ALA 39 CO 0.06 -0.26 -0.01 0.66 0.00 0.00 0.00 179.25 179.69 1zp0 h SER 40 N 0.31 0.78 -0.72 0.00 4.64 -1.95 -2.35 113.55 114.26 1zp0 h SER 40 Ca 0.30 -0.31 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1zp0 h SER 40 Cb 0.41 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1zp0 h SER 40 CO -0.35 0.90 0.28 -0.07 -0.87 0.00 0.00 176.83 176.73 1zp0 h LEU 41 N 0.63 1.00 -0.85 5.97 3.38 -0.88 -1.77 115.31 122.79 1zp0 h LEU 41 Ca 0.12 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1zp0 h LEU 41 Cb 0.51 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1zp0 h LEU 41 CO 0.03 0.90 0.28 -0.74 0.09 0.00 0.00 178.44 178.99 1zp0 h HIS 42 N 1.03 1.15 0.04 1.13 2.76 -1.11 0.64 115.15 120.80 1zp0 h HIS 42 Ca 0.24 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1zp0 h HIS 42 Cb 0.22 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 1zp0 h HIS 42 CO 0.02 0.89 -0.11 2.35 -1.30 0.00 0.00 177.93 179.78 1zp0 h TRP 43 N 1.10 -0.27 -0.75 5.26 7.01 -0.88 -1.62 115.95 125.79 1zp0 h TRP 43 Ca 0.25 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.21 1zp0 h TRP 43 Cb 0.24 0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.38 1zp0 h TRP 43 CO 0.02 -0.16 0.32 1.79 -2.79 0.00 0.00 178.44 177.61 1zp0 h THR 44 N -0.21 1.25 -0.69 2.65 1.35 -1.07 -2.57 112.91 113.62 1zp0 h THR 44 Ca 0.03 -0.77 0.11 0.00 -0.55 0.00 0.00 66.41 65.22 1zp0 h THR 44 Cb 0.23 0.35 -0.08 0.00 -1.73 0.00 0.00 68.15 66.93 1zp0 h THR 44 CO -0.08 0.32 0.29 1.23 -0.25 0.00 0.00 175.52 177.03 1zp0 h GLY 45 N 1.08 1.02 0.77 5.82 0.00 -0.43 -0.44 103.07 110.89 1zp0 h GLY 45 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1zp0 h GLY 45 CO -0.02 -0.02 0.01 0.83 0.00 0.00 0.00 176.54 177.33 1zp0 h GLU 46 N 0.48 0.06 -0.49 4.80 5.08 -0.91 -2.14 114.58 121.46 1zp0 h GLU 46 Ca 0.36 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.76 1zp0 h GLU 46 Cb 0.46 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1zp0 h GLU 46 CO -0.33 0.04 0.23 0.00 -1.00 0.00 0.00 179.01 177.95 1zp0 h ARG 47 N 0.06 0.43 0.30 2.33 2.47 -1.09 -0.78 114.38 118.10 1zp0 h ARG 47 Ca 0.07 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.77 1zp0 h ARG 47 Cb 0.09 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 1zp0 h ARG 47 CO -0.12 0.29 -0.39 0.28 0.56 0.00 0.00 179.97 180.59 1zp0 h VAL 48 N 0.45 0.21 0.00 2.04 2.07 -0.69 -0.19 116.25 120.13 1zp0 h VAL 48 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 1zp0 h VAL 48 Cb 0.16 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1zp0 h VAL 48 CO -0.18 0.00 -0.03 -0.37 0.02 0.00 0.00 177.57 177.01 1zp0 h VAL 49 N -0.74 0.16 -0.36 2.57 -1.51 -1.27 -0.12 116.25 114.97 1zp0 h VAL 49 Ca -0.01 -0.32 -0.16 0.00 -1.23 0.00 0.00 66.70 64.98 1zp0 h VAL 49 Cb 0.69 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1zp0 h VAL 49 CO -0.12 0.03 -0.38 0.28 -1.23 0.00 0.00 177.57 176.15 1zp0 h SER 50 N 0.00 0.96 1.26 4.19 0.02 0.23 0.23 113.55 120.45 1zp0 h SER 50 Ca -0.00 -0.47 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 1zp0 h SER 50 Cb 0.27 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1zp0 h SER 50 CO 0.00 1.24 -0.64 -0.37 -1.14 0.00 0.00 176.83 175.92 1zp0 h VAL 51 N 0.70 1.13 -0.05 2.27 -1.51 -0.31 -2.69 116.25 115.80 1zp0 h VAL 51 Ca 0.05 -2.51 -0.03 0.00 -1.23 0.00 0.00 66.70 62.99 1zp0 h VAL 51 Cb 0.98 2.50 -0.00 0.00 -2.13 0.00 0.00 31.29 32.63 1zp0 h VAL 51 CO 0.09 0.63 -0.09 0.25 -1.23 0.00 0.00 177.57 177.22 1zp0 h LEU 52 N 0.00 0.17 -1.20 4.19 5.85 -0.84 -1.58 115.31 121.90 1zp0 h LEU 52 Ca -0.01 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1zp0 h LEU 52 Cb 1.44 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1zp0 h LEU 52 CO 0.08 0.68 0.00 0.25 -0.34 0.00 0.00 178.44 179.12 1zp0 h LEU 53 N -0.34 0.00 0.02 2.25 5.85 -0.60 -1.42 115.31 121.07 1zp0 h LEU 53 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.49 1zp0 h LEU 53 Cb 0.65 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1zp0 h LEU 53 CO 0.02 0.00 -1.17 0.25 -0.34 0.00 0.00 178.44 177.20 1zp0 h LEU 54 N 0.00 0.08 0.00 2.25 5.85 -1.14 -3.26 115.31 119.08 1zp0 h LEU 54 Ca 0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1zp0 h LEU 54 Cb 0.31 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1zp0 h LEU 54 CO 0.00 1.07 -0.70 1.23 -0.34 0.00 0.00 178.44 179.71 1zp0 h GLY 55 N 2.82 0.00 0.47 3.75 0.00 -0.30 -3.37 103.07 106.44 1zp0 h GLY 55 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1zp0 h GLY 55 CO 0.13 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.98 1zp0 h LEU 56 N 0.00 0.14 -0.67 3.11 3.38 -1.39 -2.74 115.31 117.15 1zp0 h LEU 56 Ca -0.00 -0.65 0.12 0.00 0.09 0.00 0.00 57.88 57.44 1zp0 h LEU 56 Cb 1.02 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 1zp0 h LEU 56 CO 0.00 0.76 -0.32 -0.07 0.09 0.00 0.00 178.44 178.90 1zp0 h LEU 57 N -0.48 -1.14 -0.11 1.67 3.38 -1.72 1.44 115.31 118.35 1zp0 h LEU 57 Ca -0.01 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1zp0 h LEU 57 Cb 0.76 0.59 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1zp0 h LEU 57 CO 0.02 -0.29 0.03 -0.65 0.09 0.00 0.00 178.44 177.64 1zp0 h PRO 58 N -0.12 0.17 -0.90 1.13 0.11 -1.76 -2.76 132.00 127.88 1zp0 h PRO 58 Ca 0.26 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.46 1zp0 h PRO 58 Cb 0.56 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.56 1zp0 h PRO 58 CO -0.73 0.33 0.52 0.00 -0.21 0.00 0.00 178.00 177.90 1zp0 h ALA 59 N 0.83 1.34 0.00 -0.75 0.00 -0.76 0.13 119.26 120.05 1zp0 h ALA 59 Ca 0.03 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1zp0 h ALA 59 Cb 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zp0 h ALA 59 CO -0.00 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.19 1zp0 h ALA 60 N 1.52 1.33 0.00 0.00 0.00 0.21 -0.49 119.26 121.83 1zp0 h ALA 60 Ca 0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1zp0 h ALA 60 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1zp0 h ALA 60 CO -0.30 0.16 -0.04 -0.92 0.00 0.00 0.00 179.25 178.15 1zp0 h TYR 61 N 0.00 0.00 -0.12 0.00 3.20 -0.49 -3.18 116.97 116.38 1zp0 h TYR 61 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1zp0 h TYR 61 Cb 0.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1zp0 h TYR 61 CO 0.00 0.70 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.03 1zp0 h LEU 62 N -1.00 0.17 -6.42 2.82 3.38 -1.28 -3.36 115.31 109.62 1zp0 h LEU 62 Ca -0.01 -0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.34 1zp0 h LEU 62 Cb 0.70 -0.04 -0.38 0.00 0.09 0.00 0.00 40.66 41.02 1zp0 h LEU 62 CO -0.01 0.31 -0.94 -3.20 0.09 0.00 0.00 178.44 174.70 1zp0 n ASN 63 N -4.31 -0.09 -4.70 -0.43 5.15 -0.20 -5.11 115.26 105.58 1zp0 n ASN 63 Ca -0.01 -2.47 -0.42 0.00 -0.60 0.00 0.00 54.58 51.07 1zp0 n ASN 63 Cb 0.25 -0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 38.89 1zp0 n ASN 63 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1zp0 s PRO 64 N -0.15 4.33 0.09 1.20 0.02 -1.20 -4.61 135.00 134.68 1zp0 s PRO 64 Ca 0.32 1.87 -0.26 0.00 0.02 0.00 0.00 61.00 62.95 1zp0 s PRO 64 Cb 0.04 -3.48 0.08 0.00 0.02 0.00 0.00 34.50 31.16 1zp0 s PRO 64 CO -0.19 -0.46 0.74 0.00 -0.33 0.00 0.00 177.00 176.76 1zp0 h SER 66 N 2.00 0.63 0.05 0.00 0.87 -1.97 -0.78 113.55 114.35 1zp0 h SER 66 Ca -0.28 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1zp0 h SER 66 Cb 1.28 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1zp0 h SER 66 CO 0.34 0.24 -0.03 0.00 -0.53 0.00 0.00 176.83 176.85 1zp0 h ALA 67 N 1.62 -0.07 -0.46 6.23 0.00 -1.97 -2.61 119.26 121.99 1zp0 h ALA 67 Ca 0.53 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.47 1zp0 h ALA 67 Cb 1.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1zp0 h ALA 67 CO -0.28 -0.54 0.21 1.98 0.00 0.00 0.00 179.25 180.62 1zp0 h MET 68 N -0.08 0.40 -0.40 0.00 -1.53 -1.50 -1.89 114.93 109.92 1zp0 h MET 68 Ca -0.01 -0.02 0.12 0.00 -3.44 0.00 0.00 59.70 56.35 1zp0 h MET 68 Cb 0.06 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.01 1zp0 h MET 68 CO 0.01 0.27 0.30 -0.44 0.14 0.00 0.00 176.91 177.19 1zp0 h ASP 69 N 0.42 0.00 0.00 1.39 3.32 -1.02 0.14 116.42 120.67 1zp0 h ASP 69 Ca 0.21 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1zp0 h ASP 69 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1zp0 h ASP 69 CO -0.17 0.00 -0.23 1.88 -1.72 0.00 0.00 179.24 179.00 1zp0 h TYR 70 N 0.00 0.00 -0.33 4.55 -1.99 -1.00 -2.89 116.97 115.31 1zp0 h TYR 70 Ca 0.19 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.95 1zp0 h TYR 70 Cb 0.80 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 1zp0 h TYR 70 CO 0.00 0.54 0.22 0.66 -0.00 0.00 0.00 178.16 179.58 1zp0 h SER 71 N -1.00 0.28 0.65 3.88 4.64 -1.32 0.30 113.55 120.99 1zp0 h SER 71 Ca -0.04 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1zp0 h SER 71 Cb 0.58 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1zp0 h SER 71 CO -0.03 0.20 -0.36 0.25 -0.87 0.00 0.00 176.83 176.02 1zp0 h LEU 72 N 0.33 0.00 0.06 5.97 5.85 -0.84 -1.34 115.31 125.34 1zp0 h LEU 72 Ca 0.14 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.60 1zp0 h LEU 72 Cb 0.13 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1zp0 h LEU 72 CO -0.03 0.36 -1.24 0.00 -0.34 0.00 0.00 178.44 177.19 1zp0 h ALA 73 N 1.64 0.31 0.36 1.25 0.00 -0.31 -2.40 119.26 120.10 1zp0 h ALA 73 Ca -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 54.91 53.89 1zp0 h ALA 73 Cb 0.78 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1zp0 h ALA 73 CO 0.05 1.19 -0.17 0.00 0.00 0.00 0.00 179.25 180.31 1zp0 h ALA 74 N 0.79 -0.49 -0.74 0.00 0.00 -0.43 -2.39 119.26 116.00 1zp0 h ALA 74 Ca -0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1zp0 h ALA 74 Cb 1.90 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 1zp0 h ALA 74 CO 0.15 -0.56 0.23 0.00 0.00 0.00 0.00 179.25 179.07 1zp0 h ALA 75 N -0.53 1.01 -0.51 0.00 0.00 -1.40 -0.21 119.26 117.62 1zp0 h ALA 75 Ca -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1zp0 h ALA 75 Cb 0.54 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1zp0 h ALA 75 CO 0.08 0.66 0.31 1.25 0.00 0.00 0.00 179.25 181.56 1zp0 h LEU 76 N 1.10 0.52 0.17 0.00 5.85 -1.49 -0.78 115.31 120.68 1zp0 h LEU 76 Ca 0.24 -0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.65 1zp0 h LEU 76 Cb 0.31 -0.11 0.03 0.00 0.37 0.00 0.00 40.66 41.26 1zp0 h LEU 76 CO -0.01 0.37 -1.30 0.71 -0.34 0.00 0.00 178.44 177.87 1zp0 h THR 77 N 0.63 1.30 0.68 1.05 1.35 -1.29 -2.88 112.91 113.74 1zp0 h THR 77 Ca 0.20 -2.54 -0.03 0.00 -0.55 0.00 0.00 66.41 63.48 1zp0 h THR 77 Cb -0.01 2.86 0.01 0.00 -1.73 0.00 0.00 68.15 69.28 1zp0 h THR 77 CO -0.08 0.77 -0.32 0.25 -0.25 0.00 0.00 175.52 175.88 1zp0 h LEU 78 N 0.18 -0.77 -0.85 3.87 6.46 -0.98 0.75 115.31 123.97 1zp0 h LEU 78 Ca -0.21 0.03 0.22 0.00 -0.12 0.00 0.00 57.88 57.79 1zp0 h LEU 78 Cb 1.99 0.20 -0.14 0.00 -0.73 0.00 0.00 40.66 41.98 1zp0 h LEU 78 CO 0.25 -0.54 0.18 -0.74 -0.62 0.00 0.00 178.44 176.96 1zp0 h HIS 79 N -0.92 0.25 -0.34 1.25 2.76 -1.29 0.53 115.15 117.40 1zp0 h HIS 79 Ca -0.09 0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 1zp0 h HIS 79 Cb 0.70 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1zp0 h HIS 79 CO 0.07 -0.21 -0.11 0.78 -1.30 0.00 0.00 177.93 177.16 1zp0 h GLY 80 N 0.19 0.62 0.82 5.26 0.00 -1.32 -0.23 103.07 108.40 1zp0 h GLY 80 Ca 0.52 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1zp0 h GLY 80 CO -0.66 0.40 -0.09 0.84 0.00 0.00 0.00 176.54 177.03 1zp0 h HIS 81 N 0.53 -0.23 -0.03 5.60 6.17 0.25 -1.06 115.15 126.38 1zp0 h HIS 81 Ca 0.10 -0.01 -0.05 0.00 0.71 0.00 0.00 60.37 61.12 1zp0 h HIS 81 Cb 0.50 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.50 1zp0 h HIS 81 CO 0.02 -0.00 -0.21 -1.49 0.71 0.00 0.00 177.93 176.96 1zp0 h TRP 82 N -0.44 0.05 0.61 5.26 6.55 -1.11 -1.57 115.95 125.30 1zp0 h TRP 82 Ca -0.03 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.78 1zp0 h TRP 82 Cb 0.34 -0.01 0.01 0.00 -0.86 0.00 0.00 29.16 28.63 1zp0 h TRP 82 CO -0.01 0.25 -0.29 0.78 -1.05 0.00 0.00 178.44 178.12 1zp0 h GLY 83 N 0.68 -0.86 1.42 1.49 0.00 -0.61 -2.28 103.07 102.91 1zp0 h GLY 83 Ca 0.01 0.32 0.08 0.00 0.00 0.00 0.00 47.33 47.73 1zp0 h GLY 83 CO 0.03 -0.31 0.22 -2.22 0.00 0.00 0.00 176.54 174.26 1zp0 h ILE 84 N -0.87 0.88 -0.14 2.60 2.04 -1.17 -1.36 117.51 119.49 1zp0 h ILE 84 Ca -0.08 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1zp0 h ILE 84 Cb 0.63 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1zp0 h ILE 84 CO 0.14 0.01 -0.14 1.23 0.00 0.00 0.00 178.15 179.39 1zp0 h GLY 85 N 0.07 -0.05 0.69 5.37 0.00 -1.01 0.76 103.07 108.91 1zp0 h GLY 85 Ca 0.15 0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.71 1zp0 h GLY 85 CO -0.01 -0.14 0.47 1.46 0.00 0.00 0.00 176.54 178.32 1zp0 h GLN 86 N -0.16 0.84 -0.18 4.80 1.08 -0.67 -0.53 115.11 120.29 1zp0 h GLN 86 Ca 0.09 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1zp0 h GLN 86 Cb 0.30 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1zp0 h GLN 86 CO -0.23 0.55 -0.10 0.28 -0.95 0.00 0.00 178.83 178.38 1zp0 h VAL 87 N 0.86 1.17 0.17 -0.54 2.07 -1.12 -2.06 116.25 116.80 1zp0 h VAL 87 Ca 0.35 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1zp0 h VAL 87 Cb 0.19 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1zp0 h VAL 87 CO -0.18 0.23 -0.08 0.58 0.02 0.00 0.00 177.57 178.14 1zp0 h VAL 88 N 0.26 0.87 0.00 2.57 2.07 0.63 -2.01 116.25 120.65 1zp0 h VAL 88 Ca 0.06 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1zp0 h VAL 88 Cb 0.34 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1zp0 h VAL 88 CO 0.02 0.21 -0.00 0.71 0.02 0.00 0.00 177.57 178.53 1zp0 h THR 89 N -0.82 0.06 0.02 2.57 1.35 -1.20 0.22 112.91 115.11 1zp0 h THR 89 Ca -0.02 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.77 1zp0 h THR 89 Cb 0.53 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1zp0 h THR 89 CO 0.04 0.00 -0.10 0.44 -0.25 0.00 0.00 175.52 175.65 1zp0 h ASP 90 N 0.00 0.06 0.12 5.36 5.19 -1.31 -3.41 116.42 122.43 1zp0 h ASP 90 Ca -0.00 -0.98 -0.19 0.00 -0.62 0.00 0.00 57.03 55.24 1zp0 h ASP 90 Cb 0.04 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 1zp0 h ASP 90 CO 0.00 1.03 -2.07 -1.22 -3.12 0.00 0.00 179.24 173.86 1zp0 n TYR 91 N -4.56 0.16 -2.81 4.55 4.01 -0.76 -4.87 117.16 112.88 1zp0 n TYR 91 Ca -0.10 0.05 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 1zp0 n TYR 91 Cb 0.51 -0.82 -0.04 0.00 -0.31 0.00 0.00 39.34 38.69 1zp0 n TYR 91 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1zp0 s VAL 92 N -2.97 4.32 -0.15 -0.72 1.01 0.04 -5.02 120.40 116.91 1zp0 s VAL 92 Ca -0.08 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1zp0 s VAL 92 Cb 0.10 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1zp0 s VAL 92 CO 0.86 -1.22 0.38 -0.13 0.00 0.00 0.00 175.10 174.98 1zp0 s ARG 93 N 4.11 4.28 0.00 2.72 1.81 -1.26 -4.56 118.95 126.06 1zp0 s ARG 93 Ca 0.30 0.24 0.00 0.00 -1.72 0.00 0.00 55.73 54.55 1zp0 s ARG 93 Cb -0.13 -3.44 0.00 0.00 -0.45 0.00 0.00 34.95 30.93 1zp0 s ARG 93 CO 0.18 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 1zp0 n GLY 94 N 3.40 3.59 0.21 -3.53 0.00 -1.26 -4.77 105.19 102.83 1zp0 n GLY 94 Ca -0.10 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1zp0 n GLY 94 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1zp0 h ASP 95 N 0.00 -0.48 -0.02 1.61 1.82 -2.00 -2.35 116.42 115.00 1zp0 h ASP 95 Ca 0.00 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1zp0 h ASP 95 Cb 0.00 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1zp0 h ASP 95 CO 0.00 -0.24 -0.06 0.00 -1.61 0.00 0.00 179.24 177.34 1zp0 h ALA 96 N 0.58 -0.43 0.44 -0.78 0.00 -2.00 -2.33 119.26 114.75 1zp0 h ALA 96 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1zp0 h ALA 96 Cb 0.35 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1zp0 h ALA 96 CO -0.13 -0.45 -0.44 -0.07 0.00 0.00 0.00 179.25 178.15 1zp0 h LEU 97 N -0.05 -1.21 -0.86 0.00 3.38 -1.86 -2.54 115.31 112.16 1zp0 h LEU 97 Ca 0.00 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.24 1zp0 h LEU 97 Cb 0.07 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 1zp0 h LEU 97 CO -0.05 -0.60 0.43 -0.61 0.09 0.00 0.00 178.44 177.70 1zp0 h GLN 98 N -0.90 0.56 -0.52 1.13 4.15 -1.48 0.67 115.11 118.73 1zp0 h GLN 98 Ca -0.04 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.37 1zp0 h GLN 98 Cb 0.79 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.32 1zp0 h GLN 98 CO -0.07 0.37 0.30 -0.22 -1.93 0.00 0.00 178.83 177.29 1zp0 h LYS 99 N 0.58 0.59 -0.08 1.69 3.64 -1.26 0.96 116.57 122.69 1zp0 h LYS 99 Ca 0.49 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1zp0 h LYS 99 Cb 0.75 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1zp0 h LYS 99 CO -0.40 0.39 -0.04 0.00 -2.27 0.00 0.00 179.45 177.13 1zp0 h ALA 100 N 1.24 0.11 -0.31 5.00 0.00 -0.49 -2.55 119.26 122.25 1zp0 h ALA 100 Ca 0.21 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1zp0 h ALA 100 Cb 0.04 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1zp0 h ALA 100 CO -0.10 -0.12 -0.19 0.00 0.00 0.00 0.00 179.25 178.83 1zp0 h ALA 101 N 0.62 0.03 -0.91 0.00 0.00 0.54 0.26 119.26 119.79 1zp0 h ALA 101 Ca 0.02 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1zp0 h ALA 101 Cb 0.50 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1zp0 h ALA 101 CO 0.01 -0.59 0.55 0.87 0.00 0.00 0.00 179.25 180.09 1zp0 h LYS 102 N -0.15 0.86 0.38 0.00 1.79 -0.82 0.12 116.57 118.74 1zp0 h LYS 102 Ca 0.16 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1zp0 h LYS 102 Cb 0.40 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1zp0 h LYS 102 CO -0.41 0.57 -0.18 0.00 -1.08 0.00 0.00 179.45 178.35 1zp0 h ALA 103 N 1.50 -0.51 -0.69 3.86 0.00 -0.51 -1.27 119.26 121.64 1zp0 h ALA 103 Ca 0.45 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1zp0 h ALA 103 Cb 0.43 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1zp0 h ALA 103 CO -0.26 -0.70 0.46 0.78 0.00 0.00 0.00 179.25 179.52 1zp0 h GLY 104 N -0.68 0.86 0.91 0.00 0.00 -0.09 -1.42 103.07 102.65 1zp0 h GLY 104 Ca -0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1zp0 h GLY 104 CO 0.09 0.18 0.08 -2.00 0.00 0.00 0.00 176.54 174.89 1zp0 h LEU 105 N 0.66 0.52 -1.11 3.11 5.85 -0.57 -2.05 115.31 121.73 1zp0 h LEU 105 Ca 0.31 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1zp0 h LEU 105 Cb 0.35 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1zp0 h LEU 105 CO -0.10 0.63 0.61 0.25 -0.34 0.00 0.00 178.44 179.49 1zp0 h LEU 106 N 0.40 0.95 0.85 2.25 5.85 -0.19 -0.90 115.31 124.51 1zp0 h LEU 106 Ca 0.11 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1zp0 h LEU 106 Cb 0.31 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.15 1zp0 h LEU 106 CO 0.00 0.61 -0.41 0.00 -0.34 0.00 0.00 178.44 178.31 1zp0 h ALA 107 N 1.49 -1.21 -0.86 1.25 0.00 -1.09 -1.05 119.26 117.79 1zp0 h ALA 107 Ca 0.40 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.28 1zp0 h ALA 107 Cb 0.17 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 1zp0 h ALA 107 CO -0.15 -1.13 0.24 1.25 0.00 0.00 0.00 179.25 179.46 1zp0 h LEU 108 N -1.22 0.02 -0.41 0.00 6.46 -1.03 0.24 115.31 119.36 1zp0 h LEU 108 Ca -0.12 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1zp0 h LEU 108 Cb 0.87 0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1zp0 h LEU 108 CO 0.19 -0.12 0.21 0.28 -0.62 0.00 0.00 178.44 178.38 1zp0 h SER 109 N 0.23 0.54 0.58 1.25 0.02 -1.02 -0.98 113.55 114.16 1zp0 h SER 109 Ca 0.53 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 1zp0 h SER 109 Cb 1.04 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1zp0 h SER 109 CO -0.62 0.50 -0.31 0.00 -1.14 0.00 0.00 176.83 175.26 1zp0 h ALA 110 N 1.06 -0.83 0.00 3.77 0.00 0.75 0.11 119.26 124.13 1zp0 h ALA 110 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zp0 h ALA 110 Cb 0.10 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1zp0 h ALA 110 CO -0.02 -0.97 -0.00 0.74 0.00 0.00 0.00 179.25 178.99 1zp0 h PHE 111 N -0.82 0.00 0.10 0.00 -1.00 -1.06 -0.93 116.94 113.23 1zp0 h PHE 111 Ca -0.07 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.57 1zp0 h PHE 111 Cb 0.65 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.23 1zp0 h PHE 111 CO -0.06 0.00 -0.61 1.15 -1.61 0.00 0.00 178.31 177.18 1zp0 h THR 112 N 0.00 1.57 -0.45 -1.55 2.02 -0.37 -1.67 112.91 112.47 1zp0 h THR 112 Ca -0.00 -2.45 -0.13 0.00 0.77 0.00 0.00 66.41 64.60 1zp0 h THR 112 Cb 0.03 3.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 1zp0 h THR 112 CO 0.00 0.68 -0.22 0.15 0.37 0.00 0.00 175.52 176.50 1zp0 h PHE 113 N -0.49 1.08 0.04 3.16 3.57 -0.52 -1.75 116.94 122.03 1zp0 h PHE 113 Ca -0.10 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 1zp0 h PHE 113 Cb 1.47 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1zp0 h PHE 113 CO 0.21 1.08 -0.02 0.00 -2.23 0.00 0.00 178.31 177.35 1zp0 h ALA 114 N 0.84 -0.06 -0.90 2.41 0.00 -1.30 -0.71 119.26 119.54 1zp0 h ALA 114 Ca 0.10 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1zp0 h ALA 114 Cb 0.80 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1zp0 h ALA 114 CO 0.07 -0.45 0.58 0.78 0.00 0.00 0.00 179.25 180.22 1zp0 h GLY 115 N -0.21 1.26 1.08 0.00 0.00 -1.22 0.15 103.07 104.13 1zp0 h GLY 115 Ca -0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 1zp0 h GLY 115 CO 0.01 0.11 -0.58 1.41 0.00 0.00 0.00 176.54 177.49 1zp0 h LEU 116 N 0.75 0.87 -0.82 3.11 3.38 -0.99 -2.00 115.31 119.61 1zp0 h LEU 116 Ca 0.45 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1zp0 h LEU 116 Cb 0.66 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1zp0 h LEU 116 CO -0.21 1.29 -0.06 0.00 0.09 0.00 0.00 178.44 179.55 1zp0 h TYR 118 N 0.75 0.02 -0.95 0.00 3.20 -0.69 -0.33 116.97 118.97 1zp0 h TYR 118 Ca 0.13 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.08 1zp0 h TYR 118 Cb 0.55 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1zp0 h TYR 118 CO 0.03 0.01 0.61 0.35 -1.64 0.00 0.00 178.16 177.52 1zp0 h PHE 119 N 0.03 1.11 0.00 -3.82 3.57 -0.90 0.36 116.94 117.29 1zp0 h PHE 119 Ca 0.02 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 1zp0 h PHE 119 Cb 0.01 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1zp0 h PHE 119 CO -0.09 0.57 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.40 1zp0 h ASN 120 N 1.08 0.00 0.00 0.41 2.35 -0.51 -2.40 115.58 116.51 1zp0 h ASN 120 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1zp0 h ASN 120 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1zp0 h ASN 120 CO -0.16 0.24 -0.17 0.22 -1.65 0.00 0.00 177.43 175.91 1zp0 h TYR 121 N 0.00 0.00 -0.20 1.19 3.20 0.35 -3.40 116.97 118.10 1zp0 h TYR 121 Ca -0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1zp0 h TYR 121 Cb 0.87 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 1zp0 h TYR 121 CO 0.00 0.00 0.10 0.72 -1.64 0.00 0.00 178.16 177.34 1zp0 n HIS 122 N -3.08 0.66 -3.17 -3.82 8.25 0.11 -4.91 115.22 109.27 1zp0 n HIS 122 Ca -0.02 -0.58 -0.01 0.00 -0.26 0.00 0.00 57.72 56.85 1zp0 n HIS 122 Cb 0.09 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 30.86 1zp0 n HIS 122 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1zp0 n ASP 123 N 0.12 -0.22 -0.17 0.41 -0.08 -0.91 -4.93 116.55 110.77 1zp0 n ASP 123 Ca 0.12 -1.15 -0.01 0.00 -1.51 0.00 0.00 54.79 52.24 1zp0 n ASP 123 Cb 0.67 0.37 0.07 0.00 2.34 0.00 0.00 41.12 44.57 1zp0 n ASP 123 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1zp0 h VAL 124 N 1.10 0.65 0.00 5.18 2.07 -1.89 -3.43 116.25 119.93 1zp0 h VAL 124 Ca -0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1zp0 h VAL 124 Cb 0.12 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1zp0 h VAL 124 CO 0.04 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1zp0 n GLY 125 N -1.31 2.67 0.29 2.17 0.00 -1.22 -4.59 105.19 103.21 1zp0 n GLY 125 Ca 0.06 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.44 1zp0 n GLY 125 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1zp0 h ILE 126 N 0.00 0.82 0.43 -0.61 -0.00 -1.88 -0.70 117.51 115.56 1zp0 h ILE 126 Ca 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 64.86 64.62 1zp0 h ILE 126 Cb 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 36.82 36.92 1zp0 h ILE 126 CO 0.00 0.12 -0.31 0.00 -0.00 0.00 0.00 178.15 177.96 1zp0 h LYS 128 N -0.71 0.00 -0.35 0.00 1.63 -1.79 -0.03 116.57 115.32 1zp0 h LYS 128 Ca -0.06 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 1zp0 h LYS 128 Cb 0.58 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1zp0 h LYS 128 CO 0.03 0.01 -0.10 0.00 -3.45 0.00 0.00 179.45 175.94 1zp0 h ALA 129 N 1.99 0.49 -0.08 5.00 0.00 -0.70 0.19 119.26 126.16 1zp0 h ALA 129 Ca -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1zp0 h ALA 129 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1zp0 h ALA 129 CO 0.00 0.34 0.03 0.28 0.00 0.00 0.00 179.25 179.90 1zp0 h VAL 130 N 0.48 1.15 0.23 0.00 2.07 0.43 0.39 116.25 121.00 1zp0 h VAL 130 Ca 0.09 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1zp0 h VAL 130 Cb 0.60 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1zp0 h VAL 130 CO 0.04 0.13 -0.53 0.00 0.02 0.00 0.00 177.57 177.23 1zp0 h ALA 131 N 0.86 -1.05 -0.19 1.67 0.00 -0.86 -1.16 119.26 118.52 1zp0 h ALA 131 Ca 0.03 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1zp0 h ALA 131 Cb 0.18 0.86 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1zp0 h ALA 131 CO -0.00 -1.15 -0.25 0.52 0.00 0.00 0.00 179.25 178.37 1zp0 h MET 132 N -0.83 -0.27 -0.67 0.00 2.86 -0.57 -1.57 114.93 113.87 1zp0 h MET 132 Ca -0.02 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 1zp0 h MET 132 Cb 0.80 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1zp0 h MET 132 CO -0.23 -0.18 0.53 1.25 1.06 0.00 0.00 176.91 179.33 1zp0 h LEU 133 N -0.28 0.00 0.03 1.22 5.85 -0.44 -2.94 115.31 118.75 1zp0 h LEU 133 Ca 0.12 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 1zp0 h LEU 133 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1zp0 h LEU 133 CO -0.36 0.00 -0.68 -0.50 -0.34 0.00 0.00 178.44 176.56 1zp0 h TRP 134 N 0.00 0.13 0.00 1.25 -0.00 -0.20 -3.33 115.95 113.79 1zp0 h TRP 134 Ca 0.32 -0.10 -0.50 0.00 -0.00 0.00 0.00 58.89 58.61 1zp0 h TRP 134 Cb 1.37 -0.01 0.02 0.00 -0.00 0.00 0.00 29.16 30.54 1zp0 h TRP 134 CO 0.00 1.27 3.00 0.36 -0.00 0.00 0.00 178.44 183.06 1zp0 n LYS 135 N -4.39 2.81 0.00 0.49 2.85 -1.06 -5.13 118.16 113.72 1zp0 n LYS 135 Ca -0.19 -1.75 0.00 0.00 -1.05 0.00 0.00 58.31 55.31 1zp0 n LYS 135 Cb 0.64 -2.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 1zp0 n LYS 135 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24