#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2caz s PRO 23 N 0.00 4.63 -1.18 5.55 0.04 -1.26 -4.89 135.00 137.89 2caz s PRO 23 Ca 0.00 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 2caz s PRO 23 Cb 0.00 -3.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 2caz s PRO 23 CO 0.00 0.19 1.90 1.28 0.04 0.00 0.00 177.00 180.41 2caz n LEU 24 N 1.39 3.58 0.00 -3.56 4.77 -1.26 -4.63 117.00 117.29 2caz n LEU 24 Ca -0.00 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 2caz n LEU 24 Cb 0.45 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 2caz n LEU 24 CO 0.54 -1.28 0.00 2.22 -1.33 0.00 0.00 177.39 177.54 2caz n PHE 25 N 12.54 -0.82 -0.42 -1.77 -1.74 -1.26 -4.92 117.46 119.06 2caz n PHE 25 Ca 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.35 2caz n PHE 25 Cb 0.46 0.08 0.00 0.00 1.52 0.00 0.00 39.48 41.54 2caz n PHE 25 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2caz n ASP 26 N -3.67 0.00 0.00 5.98 5.75 -1.26 -5.06 116.55 118.29 2caz n ASP 26 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2caz n ASP 26 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2caz n ASP 26 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2caz n ASN 27 N 0.00 3.94 -3.67 -1.12 5.03 -1.26 -4.80 115.26 113.38 2caz n ASN 27 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 2caz n ASN 27 Cb 0.00 0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 39.40 2caz n ASN 27 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2caz n SER 28 N -1.35 3.68 -4.05 6.41 3.41 -1.26 -4.87 113.62 115.59 2caz n SER 28 Ca 0.00 -2.77 -0.29 0.00 -0.26 0.00 0.00 58.87 55.55 2caz n SER 28 Cb 0.13 -1.48 -0.17 0.00 -0.26 0.00 0.00 64.21 62.44 2caz n SER 28 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2caz s ILE 29 N 3.71 1.52 0.23 -1.33 1.10 -1.26 -5.11 121.20 120.05 2caz s ILE 29 Ca 0.51 -0.65 -0.31 0.00 -0.51 0.00 0.00 60.65 59.69 2caz s ILE 29 Cb 0.14 -1.39 -0.11 0.00 0.15 0.00 0.00 42.46 41.25 2caz s ILE 29 CO -0.02 0.45 1.65 -0.89 -2.11 0.00 0.00 174.94 174.01 2caz s THR 30 N 1.05 2.17 -0.35 4.00 2.01 -1.26 -4.73 115.64 118.53 2caz s THR 30 Ca -0.05 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2caz s THR 30 Cb -0.15 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.28 2caz s THR 30 CO -0.03 0.01 0.79 -1.20 -0.69 0.00 0.00 174.62 173.51 2caz n SER 31 N 3.38 2.20 -0.06 3.53 7.64 -1.26 0.16 113.62 129.21 2caz n SER 31 Ca 0.13 -1.92 -0.08 0.00 1.01 0.00 0.00 58.87 58.01 2caz n SER 31 Cb 0.37 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.03 2caz n SER 31 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2caz n LYS 32 N 0.34 0.66 0.01 1.43 4.81 -1.26 -4.58 118.16 119.58 2caz n LYS 32 Ca 0.00 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.38 2caz n LYS 32 Cb 0.40 -1.25 -0.07 0.00 0.02 0.00 0.00 35.03 34.12 2caz n LYS 32 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2caz h ASP 33 N 0.00 0.04 -0.97 3.14 5.19 -0.38 -2.02 116.42 121.42 2caz h ASP 33 Ca -0.28 -0.17 0.26 0.00 -0.62 0.00 0.00 57.03 56.22 2caz h ASP 33 Cb 1.46 -0.01 -0.13 0.00 0.18 0.00 0.00 39.33 40.83 2caz h ASP 33 CO -0.03 0.20 0.51 0.50 -3.12 0.00 0.00 179.24 177.30 2caz h LYS 34 N -0.12 0.43 -0.11 3.56 3.11 0.13 1.52 116.57 125.09 2caz h LYS 34 Ca 0.01 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 2caz h LYS 34 Cb 0.17 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 2caz h LYS 34 CO -0.00 0.28 -0.28 1.49 -2.81 0.00 0.00 179.45 178.13 2caz h GLU 35 N 0.44 0.19 -0.09 1.90 4.81 -1.70 -2.41 114.58 117.72 2caz h GLU 35 Ca 0.64 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.75 2caz h GLU 35 Cb 1.30 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2caz h GLU 35 CO -0.54 0.46 -0.18 0.28 -0.73 0.00 0.00 179.01 178.31 2caz h VAL 36 N 0.17 1.39 0.03 0.32 2.07 0.28 -2.23 116.25 118.29 2caz h VAL 36 Ca 0.03 -1.46 0.02 0.00 0.82 0.00 0.00 66.70 66.11 2caz h VAL 36 Cb 0.59 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2caz h VAL 36 CO 0.04 0.42 -0.49 0.40 0.02 0.00 0.00 177.57 177.96 2caz h ILE 37 N -0.17 0.06 -0.98 4.57 2.04 -1.06 -0.70 117.51 121.27 2caz h ILE 37 Ca 0.00 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.19 2caz h ILE 37 Cb 0.76 0.06 -0.16 0.00 -0.74 0.00 0.00 36.82 36.74 2caz h ILE 37 CO 0.04 0.00 0.49 -0.33 0.00 0.00 0.00 178.15 178.35 2caz h GLU 38 N -0.66 0.22 0.30 2.37 4.39 -1.43 0.34 114.58 120.12 2caz h GLU 38 Ca 0.02 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2caz h GLU 38 Cb 0.71 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2caz h GLU 38 CO -0.33 0.15 -0.14 1.15 -1.16 0.00 0.00 179.01 178.68 2caz h THR 39 N 0.23 0.72 -0.29 1.13 2.02 -0.53 -2.82 112.91 113.36 2caz h THR 39 Ca 0.72 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 67.86 2caz h THR 39 Cb 1.68 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 2caz h THR 39 CO -0.66 0.02 -0.08 -0.07 0.37 0.00 0.00 175.52 175.10 2caz h LEU 40 N -0.46 -0.30 -1.93 2.58 3.38 0.84 0.22 115.31 119.64 2caz h LEU 40 Ca -0.04 0.09 0.44 0.00 0.09 0.00 0.00 57.88 58.46 2caz h LEU 40 Cb 0.35 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 2caz h LEU 40 CO 0.07 -0.11 1.08 0.77 0.09 0.00 0.00 178.44 180.34 2caz h SER 41 N -0.01 0.04 0.02 -0.43 4.64 -1.10 0.85 113.55 117.55 2caz h SER 41 Ca 0.14 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 2caz h SER 41 Cb 0.23 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2caz h SER 41 CO -0.31 -0.01 -0.23 -0.08 -0.87 0.00 0.00 176.83 175.33 2caz h GLU 42 N 0.02 0.05 -0.20 4.77 4.57 -0.38 -2.10 114.58 121.30 2caz h GLU 42 Ca 0.74 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.88 2caz h GLU 42 Cb 2.88 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 31.45 2caz h GLU 42 CO -0.05 1.04 -0.12 0.82 -1.18 0.00 0.00 179.01 179.53 2caz h ILE 43 N -0.89 0.64 -0.10 2.32 2.04 0.18 0.15 117.51 121.85 2caz h ILE 43 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2caz h ILE 43 Cb 1.13 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 2caz h ILE 43 CO 0.01 0.00 -0.37 0.22 0.00 0.00 0.00 178.15 178.01 2caz h TYR 44 N -0.10 -1.11 -0.98 1.37 3.20 0.21 -1.44 116.97 118.11 2caz h TYR 44 Ca 0.11 0.04 0.30 0.00 3.14 0.00 0.00 58.73 62.33 2caz h TYR 44 Cb 0.27 0.50 -0.18 0.00 1.54 0.00 0.00 36.73 38.87 2caz h TYR 44 CO -0.27 -0.37 0.17 1.03 -1.64 0.00 0.00 178.16 177.08 2caz h SER 45 N -0.39 -0.24 0.96 -2.11 0.87 -0.42 0.40 113.55 112.63 2caz h SER 45 Ca 0.02 0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 2caz h SER 45 Cb 0.46 0.41 0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2caz h SER 45 CO -0.31 -0.35 -0.48 0.40 -0.53 0.00 0.00 176.83 175.56 2caz h ILE 46 N 0.03 0.00 -0.03 2.23 2.04 0.26 -2.69 117.51 119.35 2caz h ILE 46 Ca 0.65 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.53 2caz h ILE 46 Cb 1.46 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2caz h ILE 46 CO -0.86 0.00 -0.37 0.58 0.00 0.00 0.00 178.15 177.50 2caz h VAL 47 N -1.32 0.00 -0.59 1.67 2.07 0.50 0.42 116.25 119.01 2caz h VAL 47 Ca -0.13 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2caz h VAL 47 Cb 1.01 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2caz h VAL 47 CO 0.21 0.00 0.39 0.16 0.02 0.00 0.00 177.57 178.35 2caz h ILE 48 N -0.44 1.13 0.22 4.57 -0.00 -1.54 -2.02 117.51 119.42 2caz h ILE 48 Ca 0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 64.86 64.60 2caz h ILE 48 Cb 0.49 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 37.60 2caz h ILE 48 CO -0.26 0.14 -0.10 0.74 -0.00 0.00 0.00 178.15 178.66 2caz h THR 49 N 0.77 0.86 -0.26 0.16 2.02 -0.75 -3.14 112.91 112.57 2caz h THR 49 Ca 0.22 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.85 2caz h THR 49 Cb -0.04 1.20 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 2caz h THR 49 CO -0.05 0.13 -0.53 0.25 0.37 0.00 0.00 175.52 175.69 2caz h LEU 50 N -0.60 -1.73 -0.88 2.58 6.46 0.38 0.17 115.31 121.70 2caz h LEU 50 Ca -0.03 0.22 0.21 0.00 -0.12 0.00 0.00 57.88 58.15 2caz h LEU 50 Cb 0.44 0.69 -0.16 0.00 -0.73 0.00 0.00 40.66 40.89 2caz h LEU 50 CO 0.05 -0.43 -0.10 -0.67 -0.62 0.00 0.00 178.44 176.67 2caz n ASP 51 N -5.29 -0.21 0.39 1.25 2.03 -0.82 0.78 116.55 114.69 2caz n ASP 51 Ca -0.05 1.50 -0.19 0.00 0.52 0.00 0.00 54.79 56.57 2caz n ASP 51 Cb 0.35 -0.50 -0.09 0.00 -0.72 0.00 0.00 41.12 40.16 2caz n ASP 51 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2caz h HIS 52 N 0.00 -1.09 -0.99 -0.67 3.86 -0.93 -2.22 115.15 113.11 2caz h HIS 52 Ca 0.47 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.81 2caz h HIS 52 Cb 0.86 0.38 -0.15 0.00 1.06 0.00 0.00 27.41 29.56 2caz h HIS 52 CO -0.56 -0.63 -0.43 0.28 0.86 0.00 0.00 177.93 177.45 2caz n VAL 53 N -5.56 -0.56 0.04 2.45 0.31 0.23 -0.04 118.33 115.22 2caz n VAL 53 Ca -0.14 2.35 -0.11 0.00 -0.01 0.00 0.00 64.34 66.43 2caz n VAL 53 Cb 0.44 -3.06 -0.04 0.00 -0.91 0.00 0.00 33.84 30.27 2caz n VAL 53 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2caz h GLU 54 N 0.00 -0.36 -0.36 5.55 4.81 -1.26 -0.80 114.58 122.15 2caz h GLU 54 Ca 0.31 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.64 2caz h GLU 54 Cb 0.56 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.94 2caz h GLU 54 CO -0.98 -0.24 -0.21 0.87 -0.73 0.00 0.00 179.01 177.72 2caz h LYS 55 N -0.38 -0.15 -1.00 1.92 1.57 0.19 -0.01 116.57 118.71 2caz h LYS 55 Ca 0.07 0.01 0.20 0.00 -1.87 0.00 0.00 60.65 59.07 2caz h LYS 55 Cb 0.48 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.71 2caz h LYS 55 CO -0.26 -0.10 0.59 0.00 -0.57 0.00 0.00 179.45 179.12 2caz h ALA 56 N 1.05 1.68 0.00 3.86 0.00 0.19 0.26 119.26 126.30 2caz h ALA 56 Ca 0.18 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 2caz h ALA 56 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2caz h ALA 56 CO -0.46 -0.12 -0.50 -0.92 0.00 0.00 0.00 179.25 177.26 2caz h TYR 57 N 0.70 0.00 -0.08 0.00 3.20 0.33 -1.26 116.97 119.86 2caz h TYR 57 Ca 0.59 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.46 2caz h TYR 57 Cb 0.98 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.25 2caz h TYR 57 CO -0.01 0.50 0.00 1.28 -1.64 0.00 0.00 178.16 178.28 2caz n LEU 58 N -3.85 0.81 -0.33 2.82 4.77 0.85 -2.42 117.00 119.66 2caz n LEU 58 Ca -0.01 -0.34 0.07 0.00 -0.03 0.00 0.00 56.01 55.70 2caz n LEU 58 Cb 0.53 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 41.69 2caz n LEU 58 CO 0.40 0.17 0.44 0.29 -1.33 0.00 0.00 177.39 177.37 2caz n LYS 59 N -0.24 1.07 0.00 3.23 5.02 -0.53 -4.99 118.16 121.72 2caz n LYS 59 Ca 0.14 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 2caz n LYS 59 Cb 0.19 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2caz n LYS 59 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2caz n ASP 60 N -1.03 0.00 -0.25 4.39 10.43 -0.89 -4.73 116.55 124.47 2caz n ASP 60 Ca 0.14 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.55 2caz n ASP 60 Cb 0.69 -0.32 0.12 0.00 1.84 0.00 0.00 41.12 43.45 2caz n ASP 60 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2caz n SER 61 N 0.04 -0.21 -4.82 -2.24 7.64 -0.95 -3.89 113.62 109.18 2caz n SER 61 Ca 0.00 1.20 -0.32 0.00 1.01 0.00 0.00 58.87 60.76 2caz n SER 61 Cb 0.00 -0.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.76 2caz n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2caz s ILE 62 N -5.81 4.91 -0.02 0.44 2.07 -1.24 -5.04 121.20 116.50 2caz s ILE 62 Ca -0.10 -0.47 0.01 0.00 -1.41 0.00 0.00 60.65 58.68 2caz s ILE 62 Cb 0.19 -3.31 -0.03 0.00 0.13 0.00 0.00 42.46 39.43 2caz s ILE 62 CO 0.55 0.24 -0.01 -0.62 -1.91 0.00 0.00 174.94 173.19 2caz s ASP 63 N -2.10 5.05 0.05 4.50 -1.08 -1.25 -4.63 116.67 117.20 2caz s ASP 63 Ca 0.28 0.01 -0.07 0.00 -0.52 0.00 0.00 52.55 52.24 2caz s ASP 63 Cb -0.12 -1.32 -0.00 0.00 -1.46 0.00 0.00 42.92 40.01 2caz s ASP 63 CO 0.20 0.31 0.40 -0.67 0.52 0.00 0.00 175.17 175.92 2caz n ASP 64 N 1.64 -0.25 -0.35 -0.34 4.64 -1.26 0.95 116.55 121.57 2caz n ASP 64 Ca -0.16 0.46 -0.10 0.00 -1.38 0.00 0.00 54.79 53.61 2caz n ASP 64 Cb 0.53 -0.07 -0.09 0.00 -1.04 0.00 0.00 41.12 40.45 2caz n ASP 64 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2caz h THR 65 N 0.00 0.00 0.51 5.18 1.35 -1.98 -0.88 112.91 117.09 2caz h THR 65 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 2caz h THR 65 Cb 0.12 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.51 2caz h THR 65 CO -0.25 0.00 -0.51 1.56 -0.25 0.00 0.00 175.52 176.08 2caz h GLN 66 N -0.04 -0.98 -0.55 4.72 1.08 0.18 -3.30 115.11 116.22 2caz h GLN 66 Ca 0.14 0.07 0.11 0.00 -1.45 0.00 0.00 58.65 57.51 2caz h GLN 66 Cb 0.39 0.22 -0.11 0.00 -0.05 0.00 0.00 27.48 27.94 2caz h GLN 66 CO -0.82 -0.65 -0.19 -0.92 -0.95 0.00 0.00 178.83 175.31 2caz h TYR 67 N -1.01 -0.44 -0.34 2.96 5.03 -0.66 -2.64 116.97 119.87 2caz h TYR 67 Ca -0.06 0.05 -0.10 0.00 2.58 0.00 0.00 58.73 61.20 2caz h TYR 67 Cb 0.88 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 2caz h TYR 67 CO -0.26 -0.28 -0.21 1.15 -1.32 0.00 0.00 178.16 177.24 2caz h THR 68 N -0.06 1.27 0.05 1.81 2.02 -1.45 0.22 112.91 116.76 2caz h THR 68 Ca 0.26 -1.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 2caz h THR 68 Cb 0.45 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2caz h THR 68 CO -0.59 0.42 -0.02 0.78 0.37 0.00 0.00 175.52 176.47 2caz h ASN 69 N 0.58 -0.06 -0.79 4.18 2.35 -1.59 -1.74 115.58 118.51 2caz h ASN 69 Ca 0.09 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.01 2caz h ASN 69 Cb 0.68 0.01 -0.15 0.00 0.05 0.00 0.00 38.32 38.92 2caz h ASN 69 CO 0.05 -0.04 -0.10 0.71 -1.65 0.00 0.00 177.43 176.41 2caz h THR 70 N -0.07 0.24 0.90 2.81 1.35 -1.37 0.10 112.91 116.88 2caz h THR 70 Ca -0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 66.41 65.80 2caz h THR 70 Cb 0.05 0.20 0.01 0.00 -1.73 0.00 0.00 68.15 66.68 2caz h THR 70 CO 0.01 0.01 -0.43 0.58 -0.25 0.00 0.00 175.52 175.43 2caz h VAL 71 N 0.04 0.05 -0.88 6.82 2.07 -1.01 0.02 116.25 123.36 2caz h VAL 71 Ca 0.41 -0.07 0.23 0.00 0.82 0.00 0.00 66.70 68.09 2caz h VAL 71 Cb 0.70 0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 30.37 2caz h VAL 71 CO -0.77 0.00 0.10 -0.78 0.02 0.00 0.00 177.57 176.14 2caz h ASP 72 N -1.28 -0.27 0.26 0.57 3.58 -0.44 0.29 116.42 119.13 2caz h ASP 72 Ca -0.12 0.23 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2caz h ASP 72 Cb 0.93 0.37 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 2caz h ASP 72 CO 0.20 -0.24 -0.38 0.50 -2.88 0.00 0.00 179.24 176.44 2caz h LYS 73 N 0.10 -0.68 0.08 0.28 3.64 -0.47 -0.80 116.57 118.72 2caz h LYS 73 Ca 0.53 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.98 2caz h LYS 73 Cb 1.05 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 2caz h LYS 73 CO -0.76 -0.45 -0.45 -0.07 -2.27 0.00 0.00 179.45 175.45 2caz h LEU 74 N -0.71 -1.34 -1.60 5.20 3.38 0.14 -0.22 115.31 120.16 2caz h LEU 74 Ca -0.00 0.15 0.22 0.00 0.09 0.00 0.00 57.88 58.34 2caz h LEU 74 Cb 0.68 0.51 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 2caz h LEU 74 CO -0.14 -0.50 0.62 0.25 0.09 0.00 0.00 178.44 178.76 2caz h LEU 75 N -0.65 0.32 0.42 1.67 6.46 -0.52 0.47 115.31 123.48 2caz h LEU 75 Ca 0.02 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2caz h LEU 75 Cb 0.69 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 2caz h LEU 75 CO -0.28 0.12 -0.20 0.50 -0.62 0.00 0.00 178.44 177.95 2caz h LYS 76 N 0.31 -0.54 -0.74 1.25 3.11 -0.24 -3.21 116.57 116.51 2caz h LYS 76 Ca 0.48 0.04 0.13 0.00 -2.81 0.00 0.00 60.65 58.48 2caz h LYS 76 Cb 1.33 0.12 -0.13 0.00 -1.00 0.00 0.00 32.23 32.55 2caz h LYS 76 CO -0.15 -0.24 -0.33 1.96 -2.81 0.00 0.00 179.45 177.88 2caz h GLN 77 N -0.96 -0.09 -0.15 1.90 4.20 0.16 -2.14 115.11 118.04 2caz h GLN 77 Ca -0.06 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2caz h GLN 77 Cb 0.56 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2caz h GLN 77 CO 0.09 -0.06 -0.13 0.35 -0.67 0.00 0.00 178.83 178.42 2caz h PHE 78 N -0.09 -0.41 -1.25 2.96 3.57 -1.21 -0.96 116.94 119.56 2caz h PHE 78 Ca 0.29 0.02 0.39 0.00 3.53 0.00 0.00 57.97 62.20 2caz h PHE 78 Cb 0.57 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.40 2caz h PHE 78 CO -0.70 -0.10 0.81 -0.22 -2.23 0.00 0.00 178.31 175.87 2caz h LYS 79 N -0.05 0.16 0.11 1.11 1.63 -1.39 0.49 116.57 118.64 2caz h LYS 79 Ca 0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2caz h LYS 79 Cb 0.12 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2caz h LYS 79 CO -0.17 0.11 -0.05 0.28 -3.45 0.00 0.00 179.45 176.16 2caz h VAL 80 N 0.17 0.96 -0.61 2.00 2.07 -1.00 -1.09 116.25 118.75 2caz h VAL 80 Ca 0.75 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 68.08 2caz h VAL 80 Cb 2.28 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 33.12 2caz h VAL 80 CO -0.35 0.07 0.21 1.88 0.02 0.00 0.00 177.57 179.40 2caz h TYR 81 N -0.28 0.36 -0.08 1.57 -1.99 0.43 -0.63 116.97 116.35 2caz h TYR 81 Ca -0.02 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 2caz h TYR 81 Cb 0.23 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.89 2caz h TYR 81 CO -0.03 0.07 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.11 2caz h LEU 82 N 0.38 0.16 -2.44 3.88 3.38 -1.52 -3.07 115.31 116.08 2caz h LEU 82 Ca 0.31 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 2caz h LEU 82 Cb 0.40 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2caz h LEU 82 CO -0.32 0.49 0.12 0.59 0.09 0.00 0.00 178.44 179.41 2caz n ASN 83 N -4.79 3.40 -4.68 -0.43 5.03 -0.42 -4.51 115.26 108.85 2caz n ASN 83 Ca -0.07 -2.32 -0.29 0.00 0.87 0.00 0.00 54.58 52.78 2caz n ASN 83 Cb 0.23 -0.61 0.17 0.00 -1.02 0.00 0.00 39.78 38.55 2caz n ASN 83 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2caz s SER 84 N 0.67 2.74 0.06 6.41 0.15 -0.33 -4.93 113.70 118.47 2caz s SER 84 Ca 0.10 1.09 -0.35 0.00 0.70 0.00 0.00 55.95 57.49 2caz s SER 84 Cb 0.09 -1.72 -0.20 0.00 -1.71 0.00 0.00 66.02 62.48 2caz s SER 84 CO 0.02 -3.05 1.57 -0.61 1.20 0.00 0.00 173.24 172.37 2caz h GLN 85 N -1.84 -1.06 -5.56 5.44 -0.00 -1.90 -3.20 115.11 106.99 2caz h GLN 85 Ca -0.54 0.07 -0.53 0.00 -0.00 0.00 0.00 58.65 57.66 2caz h GLN 85 Cb 1.33 0.24 -0.06 0.00 0.00 0.00 0.00 27.48 29.00 2caz h GLN 85 CO 0.58 -0.71 1.76 0.09 0.00 0.00 0.00 178.83 180.56 2caz n ASN 86 N -5.56 4.00 -0.05 -0.69 3.02 -1.26 -4.54 115.26 110.18 2caz n ASN 86 Ca -0.15 -2.81 -0.21 0.00 -0.03 0.00 0.00 54.58 51.38 2caz n ASN 86 Cb 0.44 -1.72 -0.13 0.00 -0.61 0.00 0.00 39.78 37.76 2caz n ASN 86 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2caz n LYS 87 N 8.19 0.70 -0.21 3.52 0.00 -1.21 -4.37 118.16 124.79 2caz n LYS 87 Ca 0.47 0.28 -0.11 0.00 0.00 0.00 0.00 58.31 58.95 2caz n LYS 87 Cb 0.46 -1.66 -0.09 0.00 0.00 0.00 0.00 35.03 33.74 2caz n LYS 87 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2caz h GLU 88 N -0.13 -0.22 -0.80 1.64 3.07 -1.90 -1.01 114.58 115.22 2caz h GLU 88 Ca -0.47 0.02 0.15 0.00 -0.50 0.00 0.00 59.36 58.56 2caz h GLU 88 Cb 1.89 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 29.80 2caz h GLU 88 CO -0.02 -0.15 0.53 0.93 -1.40 0.00 0.00 179.01 178.90 2caz h GLU 89 N -0.23 0.46 0.00 2.33 4.39 -1.96 0.46 114.58 120.03 2caz h GLU 89 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2caz h GLU 89 Cb 0.47 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2caz h GLU 89 CO -0.63 0.30 0.00 -0.89 -1.16 0.00 0.00 179.01 176.64 2caz n ILE 90 N -4.50 0.00 -0.47 3.13 5.41 -0.40 -1.80 119.36 120.73 2caz n ILE 90 Ca 0.15 0.89 0.40 0.00 1.00 0.00 0.00 62.75 65.19 2caz n ILE 90 Cb 0.53 -1.74 0.71 0.00 -0.71 0.00 0.00 39.64 38.43 2caz n ILE 90 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2caz h ASN 91 N 0.00 0.13 0.00 4.38 -0.26 -1.35 -0.27 115.58 118.21 2caz h ASN 91 Ca 0.00 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2caz h ASN 91 Cb 0.00 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2caz h ASN 91 CO 0.00 -0.05 0.00 1.17 -1.06 0.00 0.00 177.43 177.49 2caz n LYS 92 N -4.34 0.00 0.00 0.81 0.00 0.16 -1.95 118.16 112.84 2caz n LYS 92 Ca 0.35 0.01 0.12 0.00 0.00 0.00 0.00 58.31 58.79 2caz n LYS 92 Cb 1.49 -0.57 0.64 0.00 0.00 0.00 0.00 35.03 36.59 2caz n LYS 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2caz n HIS 93 N -0.08 0.00 -3.19 5.64 8.25 -0.74 -4.14 115.22 120.96 2caz n HIS 93 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 2caz n HIS 93 Cb 0.00 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 30.85 2caz n HIS 93 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2caz n PHE 94 N -1.20 -1.36 0.00 4.41 3.01 -0.12 -5.11 117.46 117.10 2caz n PHE 94 Ca 0.14 -2.99 0.00 0.00 1.01 0.00 0.00 57.45 55.60 2caz n PHE 94 Cb 0.16 0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2caz n PHE 94 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2caz n GLN 95 N 2.32 3.09 -0.99 -1.08 3.00 -0.82 -3.79 117.38 119.11 2caz n GLN 95 Ca 0.24 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.89 2caz n GLN 95 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.86 2caz n GLN 95 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2caz n SER 96 N 0.00 -1.65 -0.05 1.08 7.64 -1.26 -4.66 113.62 114.71 2caz n SER 96 Ca 0.00 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.21 2caz n SER 96 Cb 0.00 -1.22 -0.04 0.00 -1.01 0.00 0.00 64.21 61.94 2caz n SER 96 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2caz h ILE 97 N -1.08 0.18 -0.59 0.44 2.04 -2.00 -2.41 117.51 114.09 2caz h ILE 97 Ca -0.44 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.47 2caz h ILE 97 Cb 1.31 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 2caz h ILE 97 CO 0.38 0.00 -0.44 -0.08 0.00 0.00 0.00 178.15 178.01 2caz h GLU 98 N -0.38 -0.10 -0.53 2.37 4.57 -1.99 -1.06 114.58 117.44 2caz h GLU 98 Ca 0.11 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.41 2caz h GLU 98 Cb 0.58 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.09 2caz h GLU 98 CO -0.46 -0.07 -0.20 0.00 -1.18 0.00 0.00 179.01 177.10 2caz h ALA 99 N -0.04 0.22 -0.44 2.92 0.00 -1.78 -0.75 119.26 119.39 2caz h ALA 99 Ca 0.10 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2caz h ALA 99 Cb 0.36 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2caz h ALA 99 CO -0.62 -0.52 0.20 0.35 0.00 0.00 0.00 179.25 178.66 2caz h PHE 100 N -0.07 0.60 0.00 0.00 3.57 -0.96 0.18 116.94 120.26 2caz h PHE 100 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2caz h PHE 100 Cb 0.46 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 2caz h PHE 100 CO -0.50 0.46 -0.07 0.00 -2.23 0.00 0.00 178.31 175.97 2caz n ASP 102 N -3.23 0.31 0.18 0.00 8.00 0.46 -0.97 116.55 121.30 2caz n ASP 102 Ca -0.00 -0.20 0.04 0.00 0.71 0.00 0.00 54.79 55.34 2caz n ASP 102 Cb 0.30 1.78 0.30 0.00 -0.02 0.00 0.00 41.12 43.48 2caz n ASP 102 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2caz h THR 103 N 0.00 0.99 0.00 -3.53 2.02 -0.98 -2.07 112.91 109.34 2caz h THR 103 Ca 0.00 -1.63 -0.19 0.00 0.77 0.00 0.00 66.41 65.36 2caz h THR 103 Cb 0.87 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 69.22 2caz h THR 103 CO 0.00 0.41 -1.65 0.00 0.37 0.00 0.00 175.52 174.65 2caz n TYR 104 N -3.59 0.72 -2.83 3.16 9.36 -1.25 -4.99 117.16 117.74 2caz n TYR 104 Ca -0.00 0.24 -0.06 0.00 3.32 0.00 0.00 57.90 61.40 2caz n TYR 104 Cb 0.53 -1.02 0.03 0.00 -0.63 0.00 0.00 39.34 38.25 2caz n TYR 104 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2caz n ASN 105 N -2.81 -6.23 -4.54 2.98 5.15 -0.78 -4.93 115.26 104.10 2caz n ASN 105 Ca -0.13 -0.31 -0.42 0.00 -0.60 0.00 0.00 54.58 53.11 2caz n ASN 105 Cb 0.88 -4.39 -0.02 0.00 -0.53 0.00 0.00 39.78 35.72 2caz n ASN 105 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2caz s ILE 106 N -3.15 4.21 -0.37 -1.44 -4.36 -0.14 -4.93 121.20 111.02 2caz s ILE 106 Ca 0.18 -1.46 -0.37 0.00 -0.26 0.00 0.00 60.65 58.74 2caz s ILE 106 Cb -0.02 -5.06 -0.13 0.00 1.25 0.00 0.00 42.46 38.51 2caz s ILE 106 CO 0.60 -1.88 2.17 0.41 0.24 0.00 0.00 174.94 176.48 2caz n THR 107 N 6.30 0.16 0.00 8.37 -1.04 -1.26 -4.55 114.28 122.27 2caz n THR 107 Ca 0.38 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2caz n THR 107 Cb 0.48 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 2caz n THR 107 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2caz n ALA 108 N 9.40 2.31 -0.10 2.41 0.00 -1.26 -5.02 120.51 128.25 2caz n ALA 108 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2caz n ALA 108 Cb 0.19 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2caz n ALA 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2caz n SER 109 N -2.07 -0.52 0.08 0.00 7.64 -1.26 -3.89 113.62 113.60 2caz n SER 109 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2caz n SER 109 Cb 0.16 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2caz n SER 109 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2caz n ASN 110 N 1.94 -0.62 -0.34 6.43 5.15 -1.26 -4.76 115.26 121.80 2caz n ASN 110 Ca 0.00 0.29 0.23 0.00 -0.60 0.00 0.00 54.58 54.50 2caz n ASN 110 Cb 0.04 0.73 0.49 0.00 -0.53 0.00 0.00 39.78 40.52 2caz n ASN 110 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2caz h ALA 111 N 0.00 2.16 -0.93 5.20 0.00 -1.87 0.54 119.26 124.35 2caz h ALA 111 Ca 0.00 0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.27 2caz h ALA 111 Cb 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.70 2caz h ALA 111 CO 0.00 -0.63 0.37 0.82 0.00 0.00 0.00 179.25 179.81 2caz h ILE 112 N 0.40 0.32 0.00 0.00 2.04 -1.86 -0.31 117.51 118.09 2caz h ILE 112 Ca 0.65 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 66.30 2caz h ILE 112 Cb 1.58 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2caz h ILE 112 CO -0.38 0.05 -0.53 0.74 0.00 0.00 0.00 178.15 178.03 2caz h THR 113 N 0.27 1.31 0.24 -0.27 2.02 -0.21 -2.49 112.91 113.77 2caz h THR 113 Ca 0.62 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2caz h THR 113 Cb 1.31 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2caz h THR 113 CO -0.63 0.52 -0.11 0.03 0.37 0.00 0.00 175.52 175.69 2caz h ARG 114 N 0.00 -0.31 0.00 6.66 2.47 -1.10 -1.54 114.38 120.57 2caz h ARG 114 Ca -0.01 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 2caz h ARG 114 Cb 0.98 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 2caz h ARG 114 CO 0.07 -0.11 0.00 1.28 0.56 0.00 0.00 179.97 181.77 2caz n LEU 115 N -5.17 0.00 -0.90 3.04 4.32 -1.13 0.01 117.00 117.17 2caz n LEU 115 Ca -0.09 0.16 0.08 0.00 -0.02 0.00 0.00 56.01 56.13 2caz n LEU 115 Cb 0.19 -0.16 0.20 0.00 -1.62 0.00 0.00 43.42 42.04 2caz n LEU 115 CO 0.34 -0.13 0.67 -0.62 -1.22 0.00 0.00 177.39 176.43 2caz n GLU 116 N -1.16 2.65 -2.69 3.23 -0.58 -0.61 -4.64 120.64 116.85 2caz n GLU 116 Ca 0.03 -2.21 -0.04 0.00 -0.42 0.00 0.00 57.16 54.53 2caz n GLU 116 Cb 0.03 -1.38 0.04 0.00 -0.57 0.00 0.00 31.44 29.56 2caz n GLU 116 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2caz n ARG 117 N 0.97 0.23 -0.96 3.49 3.00 0.10 -5.04 116.66 118.44 2caz n ARG 117 Ca 0.16 -1.04 -0.11 0.00 -0.00 0.00 0.00 57.85 56.85 2caz n ARG 117 Cb 0.49 -0.32 -0.04 0.00 0.00 0.00 0.00 32.46 32.60 2caz n ARG 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2caz n GLY 118 N 2.37 0.06 3.65 5.14 0.00 -0.68 -4.69 105.19 111.03 2caz n GLY 118 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2caz n GLY 118 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2caz s ILE 119 N 4.87 0.00 0.64 -0.61 -5.25 -1.26 -5.07 121.20 114.52 2caz s ILE 119 Ca 0.25 0.00 -0.14 0.00 -0.99 0.00 0.00 60.65 59.77 2caz s ILE 119 Cb 0.03 -1.00 -0.02 0.00 2.95 0.00 0.00 42.46 44.42 2caz s ILE 119 CO 0.10 0.00 1.06 -2.16 -1.79 0.00 0.00 174.94 172.15 2caz s PRO 120 N -0.73 3.14 -0.14 0.37 0.04 -1.26 -4.88 135.00 131.54 2caz s PRO 120 Ca 0.09 1.12 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 2caz s PRO 120 Cb -0.02 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2caz s PRO 120 CO -0.11 -0.95 0.10 0.42 0.04 0.00 0.00 177.00 176.51 2caz s ILE 121 N -2.67 5.19 -0.77 0.56 -1.09 -1.26 -4.48 121.20 116.68 2caz s ILE 121 Ca 0.62 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 2caz s ILE 121 Cb -0.15 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2caz s ILE 121 CO 0.44 0.56 0.00 0.41 -1.23 0.00 0.00 174.94 175.12 2caz n THR 122 N 2.55 -0.09 0.00 2.92 -1.04 -1.26 -5.12 114.28 112.23 2caz n THR 122 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2caz n THR 122 Cb 0.54 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 2caz n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43