#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc n GLN 7 N 0.00 -2.59 0.02 0.00 7.27 -1.26 -4.70 117.38 116.12 3fwc n GLN 7 Ca 0.00 0.16 0.06 0.00 0.07 0.00 0.00 57.00 57.29 3fwc n GLN 7 Cb 0.00 -4.63 0.27 0.00 2.41 0.00 0.00 30.24 28.29 3fwc n GLN 7 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3fwc n LEU 8 N -2.41 0.10 -0.42 1.69 -0.00 -1.26 -2.66 117.00 112.05 3fwc n LEU 8 Ca -0.04 0.53 0.34 0.00 -0.00 0.00 0.00 56.01 56.85 3fwc n LEU 8 Cb 0.48 -0.52 0.62 0.00 -0.00 0.00 0.00 43.42 43.99 3fwc n LEU 8 CO 0.04 -0.38 1.21 0.11 -0.00 0.00 0.00 177.39 178.37 3fwc h LYS 9 N 0.00 0.12 -0.96 1.47 1.57 -2.00 0.45 116.57 117.22 3fwc h LYS 9 Ca 0.00 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3fwc h LYS 9 Cb 0.19 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.40 3fwc h LYS 9 CO 0.00 0.08 0.61 0.77 -0.57 0.00 0.00 179.45 180.34 3fwc h SER 10 N 0.12 0.88 -0.78 0.86 0.02 -1.89 0.34 113.55 113.10 3fwc h SER 10 Ca 0.80 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.77 3fwc h SER 10 Cb 2.39 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 64.74 3fwc h SER 10 CO -0.45 0.50 0.44 -0.61 -1.14 0.00 0.00 176.83 175.56 3fwc h GLN 11 N 0.96 1.09 -0.38 3.45 4.15 -0.36 -0.44 115.11 123.58 3fwc h GLN 11 Ca 0.45 -0.12 -0.15 0.00 0.77 0.00 0.00 58.65 59.60 3fwc h GLN 11 Cb 0.44 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3fwc h GLN 11 CO -0.22 0.80 -0.35 0.82 -1.93 0.00 0.00 178.83 177.95 3fwc h ILE 12 N 1.08 1.28 0.23 2.39 2.04 -0.70 0.19 117.51 124.02 3fwc h ILE 12 Ca 0.28 -1.52 0.01 0.00 1.00 0.00 0.00 64.86 64.62 3fwc h ILE 12 Cb 0.02 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3fwc h ILE 12 CO -0.05 0.51 -0.42 1.56 0.00 0.00 0.00 178.15 179.75 3fwc h GLN 13 N 0.73 -0.70 -0.05 2.37 1.08 -0.29 0.94 115.11 119.18 3fwc h GLN 13 Ca 0.07 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 3fwc h GLN 13 Cb 0.93 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 28.47 3fwc h GLN 13 CO 0.09 -0.47 -0.43 0.37 -0.95 0.00 0.00 178.83 177.44 3fwc h GLN 14 N -0.73 -0.48 -1.00 1.46 5.75 -0.87 -1.12 115.11 118.11 3fwc h GLN 14 Ca -0.00 0.03 0.22 0.00 -0.15 0.00 0.00 58.65 58.75 3fwc h GLN 14 Cb 0.71 0.11 -0.11 0.00 1.07 0.00 0.00 27.48 29.26 3fwc h GLN 14 CO -0.17 -0.32 0.62 -0.92 -2.65 0.00 0.00 178.83 175.38 3fwc h TYR 15 N -0.50 0.93 -0.02 3.99 3.20 -0.52 -1.03 116.97 123.02 3fwc h TYR 15 Ca 0.02 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3fwc h TYR 15 Cb 0.56 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 3fwc h TYR 15 CO -0.52 0.15 0.01 1.25 -1.64 0.00 0.00 178.16 177.41 3fwc h LEU 16 N 0.61 0.02 0.67 2.82 5.85 0.40 -0.78 115.31 124.90 3fwc h LEU 16 Ca 0.59 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.24 3fwc h LEU 16 Cb 1.13 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 42.16 3fwc h LEU 16 CO -0.38 0.05 -0.32 0.58 -0.34 0.00 0.00 178.44 178.04 3fwc h VAL 17 N -0.01 0.20 -0.02 1.05 2.07 -0.33 -1.47 116.25 117.74 3fwc h VAL 17 Ca 0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3fwc h VAL 17 Cb 0.03 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3fwc h VAL 17 CO -0.00 0.02 0.00 -1.84 0.02 0.00 0.00 177.57 175.77 3fwc n GLU 18 N -5.40 1.07 0.08 1.57 0.28 -0.79 -2.31 120.64 115.13 3fwc n GLU 18 Ca -0.12 -0.08 0.11 0.00 -0.16 0.00 0.00 57.16 56.91 3fwc n GLU 18 Cb 0.37 -1.17 -0.03 0.00 1.43 0.00 0.00 31.44 32.04 3fwc n GLU 18 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3fwc n SER 19 N -0.30 0.67 0.00 -1.84 2.88 -0.30 -4.93 113.62 109.80 3fwc n SER 19 Ca 0.01 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 3fwc n SER 19 Cb 0.10 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 3fwc n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fwc n GLY 20 N 1.21 1.65 0.11 0.46 0.00 -0.98 -4.88 105.19 102.76 3fwc n GLY 20 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3fwc n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fwc h ASN 21 N 0.00 0.22 -0.41 1.61 2.35 -1.77 0.49 115.58 118.08 3fwc h ASN 21 Ca 0.00 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3fwc h ASN 21 Cb 0.00 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3fwc h ASN 21 CO 0.00 1.06 0.20 0.22 -1.65 0.00 0.00 177.43 177.26 3fwc h TYR 22 N 0.08 0.58 0.38 1.19 3.20 -1.50 0.52 116.97 121.42 3fwc h TYR 22 Ca -0.05 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 3fwc h TYR 22 Cb 1.64 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.71 3fwc h TYR 22 CO 0.03 0.48 -0.36 0.93 -1.64 0.00 0.00 178.16 177.60 3fwc h GLU 23 N 0.52 -0.73 0.25 1.82 5.08 -1.80 -0.16 114.58 119.56 3fwc h GLU 23 Ca 0.14 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3fwc h GLU 23 Cb 0.11 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3fwc h GLU 23 CO -0.02 -0.49 -0.52 -0.07 -1.00 0.00 0.00 179.01 176.92 3fwc h LEU 24 N -0.76 -1.51 -1.25 1.33 3.38 0.31 0.81 115.31 117.61 3fwc h LEU 24 Ca -0.03 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3fwc h LEU 24 Cb 0.67 0.54 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3fwc h LEU 24 CO -0.05 -0.59 0.49 0.40 0.09 0.00 0.00 178.44 178.78 3fwc h ILE 25 N -0.84 1.20 -0.04 1.22 2.04 -0.03 0.51 117.51 121.57 3fwc h ILE 25 Ca -0.02 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3fwc h ILE 25 Cb 0.80 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3fwc h ILE 25 CO -0.21 0.19 -0.03 -1.28 0.00 0.00 0.00 178.15 176.82 3fwc h SER 26 N 1.02 0.10 0.02 1.72 0.87 -0.46 0.32 113.55 117.14 3fwc h SER 26 Ca 0.27 -0.46 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 3fwc h SER 26 Cb -0.11 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 3fwc h SER 26 CO -0.06 0.54 -0.13 0.78 -0.53 0.00 0.00 176.83 177.42 3fwc h ASN 27 N -0.34 0.23 -0.06 6.23 2.35 0.10 0.95 115.58 125.03 3fwc h ASN 27 Ca 0.01 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 3fwc h ASN 27 Cb 0.51 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.82 3fwc h ASN 27 CO 0.01 0.39 -0.42 -0.33 -1.65 0.00 0.00 177.43 175.42 3fwc h GLU 28 N 0.23 0.40 -0.86 0.81 5.08 0.03 -0.20 114.58 120.07 3fwc h GLU 28 Ca 0.05 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 3fwc h GLU 28 Cb 0.38 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3fwc h GLU 28 CO 0.02 0.99 0.44 1.25 -1.00 0.00 0.00 179.01 180.71 3fwc h LEU 29 N -0.09 1.10 0.00 1.33 5.85 -0.61 -2.33 115.31 120.57 3fwc h LEU 29 Ca -0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3fwc h LEU 29 Cb 1.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3fwc h LEU 29 CO 0.09 0.90 0.00 0.29 -0.34 0.00 0.00 178.44 179.38 3fwc n LYS 30 N -4.32 0.00 -0.37 1.25 5.02 0.33 -0.65 118.16 119.42 3fwc n LYS 30 Ca 0.09 0.49 -0.10 0.00 -2.02 0.00 0.00 58.31 56.77 3fwc n LYS 30 Cb 0.12 -1.42 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 3fwc n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fwc n ALA 31 N -1.88 -0.56 0.03 7.82 0.00 -0.10 -0.82 120.51 125.00 3fwc n ALA 31 Ca 0.00 0.76 -0.12 0.00 0.00 0.00 0.00 53.44 54.07 3fwc n ALA 31 Cb 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 3fwc n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fwc h ARG 32 N 0.00 -0.01 -0.91 0.00 3.08 -1.43 0.28 114.38 115.40 3fwc h ARG 32 Ca 0.14 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.45 3fwc h ARG 32 Cb 0.37 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.27 3fwc h ARG 32 CO -0.84 0.12 0.30 -0.07 -1.07 0.00 0.00 179.97 178.42 3fwc h LEU 33 N -0.13 0.10 -0.29 3.04 3.38 0.10 0.53 115.31 122.05 3fwc h LEU 33 Ca -0.00 0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 3fwc h LEU 33 Cb 0.13 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3fwc h LEU 33 CO 0.00 -0.16 -0.87 0.25 0.09 0.00 0.00 178.44 177.75 3fwc h LEU 34 N 0.23 0.31 -0.08 1.67 5.85 -0.14 0.16 115.31 123.31 3fwc h LEU 34 Ca 0.60 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 3fwc h LEU 34 Cb 1.25 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3fwc h LEU 34 CO -0.66 1.04 0.01 -0.61 -0.34 0.00 0.00 178.44 177.88 3fwc h GLN 35 N 0.14 0.14 0.00 1.25 -0.00 0.11 -1.81 115.11 114.94 3fwc h GLN 35 Ca -0.05 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 3fwc h GLN 35 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.96 3fwc h GLN 35 CO 0.14 0.39 0.00 0.39 0.00 0.00 0.00 178.83 179.74 3fwc n GLU 36 N -4.85 0.57 -1.02 1.69 1.02 -0.57 -4.78 120.64 112.68 3fwc n GLU 36 Ca -0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.07 3fwc n GLU 36 Cb 0.18 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3fwc n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fwc n GLY 37 N 0.11 0.47 0.08 0.62 0.00 -0.68 -4.91 105.19 100.88 3fwc n GLY 37 Ca 0.10 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3fwc n GLY 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fwc h TRP 38 N 0.00 -0.09 0.30 1.61 7.01 -0.86 -2.46 115.95 121.45 3fwc h TRP 38 Ca -0.02 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 3fwc h TRP 38 Cb 0.19 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 3fwc h TRP 38 CO 0.11 -0.06 -0.43 0.28 -2.79 0.00 0.00 178.44 175.55 3fwc h VAL 39 N -0.05 0.15 -0.43 2.65 2.07 -1.82 0.46 116.25 119.27 3fwc h VAL 39 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 3fwc h VAL 39 Cb 0.10 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 29.92 3fwc h VAL 39 CO -0.08 0.00 -0.25 0.44 0.02 0.00 0.00 177.57 177.70 3fwc h ASP 40 N -0.78 -0.85 -0.53 0.57 3.45 -1.88 0.33 116.42 116.72 3fwc h ASP 40 Ca -0.02 0.18 0.10 0.00 0.43 0.00 0.00 57.03 57.72 3fwc h ASP 40 Cb 0.73 0.44 -0.11 0.00 -0.56 0.00 0.00 39.33 39.83 3fwc h ASP 40 CO -0.14 -0.27 -0.24 0.11 -1.57 0.00 0.00 179.24 177.13 3fwc h LYS 41 N -0.17 -0.11 -0.61 3.56 1.57 -1.03 -2.61 116.57 117.17 3fwc h LYS 41 Ca 0.20 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3fwc h LYS 41 Cb 0.49 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3fwc h LYS 41 CO -0.53 -0.07 0.13 0.28 -0.57 0.00 0.00 179.45 178.68 3fwc h VAL 42 N -0.11 1.26 -0.56 0.50 2.07 0.17 -2.83 116.25 116.74 3fwc h VAL 42 Ca 0.24 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.91 3fwc h VAL 42 Cb 0.49 0.70 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 3fwc h VAL 42 CO -0.60 0.36 -0.16 0.11 0.02 0.00 0.00 177.57 177.29 3fwc h LYS 43 N 0.91 -0.03 0.10 1.57 1.57 -0.15 -2.38 116.57 118.16 3fwc h LYS 43 Ca 0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3fwc h LYS 43 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fwc h LYS 43 CO 0.01 -0.02 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.38 3fwc h ASP 44 N -0.03 -0.12 0.26 0.86 3.32 -1.34 -0.96 116.42 118.42 3fwc h ASP 44 Ca 0.26 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3fwc h ASP 44 Cb 0.43 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3fwc h ASP 44 CO -0.59 0.24 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.06 3fwc h LEU 45 N -0.48 0.00 -0.04 1.55 4.07 -1.49 0.39 115.31 119.31 3fwc h LEU 45 Ca -0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.76 3fwc h LEU 45 Cb 0.40 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.15 3fwc h LEU 45 CO 0.02 0.04 -0.69 0.74 -1.08 0.00 0.00 178.44 177.47 3fwc h THR 46 N 0.00 1.36 -0.78 0.22 2.02 -0.91 -3.07 112.91 111.75 3fwc h THR 46 Ca -0.00 -2.04 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 3fwc h THR 46 Cb 0.18 2.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 3fwc h THR 46 CO 0.01 0.61 0.39 0.11 0.37 0.00 0.00 175.52 177.00 3fwc h LYS 47 N 0.12 1.12 -0.65 6.66 1.57 -0.35 -1.26 116.57 123.78 3fwc h LYS 47 Ca -0.07 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3fwc h LYS 47 Cb 1.37 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 3fwc h LYS 47 CO 0.14 0.86 0.33 0.77 -0.57 0.00 0.00 179.45 180.98 3fwc h SER 48 N 1.10 0.45 -0.24 0.86 0.02 -0.96 0.27 113.55 115.06 3fwc h SER 48 Ca 0.27 0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 3fwc h SER 48 Cb 0.10 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3fwc h SER 48 CO -0.04 0.28 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.57 3fwc h GLU 49 N 0.60 0.61 -0.12 3.45 4.57 -1.44 -2.78 114.58 119.47 3fwc h GLU 49 Ca 0.31 -0.34 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3fwc h GLU 49 Cb 0.27 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3fwc h GLU 49 CO -0.22 0.95 0.27 0.52 -1.18 0.00 0.00 179.01 179.34 3fwc h MET 50 N 0.31 0.00 -5.42 1.92 2.86 0.09 -3.36 114.93 111.34 3fwc h MET 50 Ca 0.03 0.00 -0.65 0.00 -2.06 0.00 0.00 59.70 57.02 3fwc h MET 50 Cb 0.86 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.28 3fwc h MET 50 CO 0.07 0.00 -0.71 -0.80 1.06 0.00 0.00 176.91 176.52 3fwc s ASN 51 N -5.05 4.43 -0.02 1.22 0.01 0.82 -1.78 114.94 114.56 3fwc s ASN 51 Ca -0.04 -0.21 -0.14 0.00 -0.71 0.00 0.00 52.86 51.77 3fwc s ASN 51 Cb 0.12 -1.63 -0.07 0.00 0.41 0.00 0.00 41.25 40.09 3fwc s ASN 51 CO 0.42 0.19 0.38 2.30 -1.51 0.00 0.00 177.10 178.88 3fwc n ILE 52 N 3.37 0.00 -0.32 0.60 -0.00 -1.26 -4.74 119.36 117.00 3fwc n ILE 52 Ca -0.18 0.00 0.17 0.00 -0.00 0.00 0.00 62.75 62.74 3fwc n ILE 52 Cb 0.53 -0.02 0.34 0.00 -0.00 0.00 0.00 39.64 40.48 3fwc n ILE 52 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3fwc h ASN 53 N 1.09 -0.22 -5.53 7.28 7.08 -1.66 -3.42 115.58 120.20 3fwc h ASN 53 Ca -0.17 0.25 -0.37 0.00 -3.08 0.00 0.00 56.30 52.93 3fwc h ASN 53 Cb 0.48 0.39 -0.23 0.00 -2.08 0.00 0.00 38.32 36.88 3fwc h ASN 53 CO 0.23 -0.31 -0.54 1.21 -2.08 0.00 0.00 177.43 175.94 3fwc n GLU 54 N -5.38 -0.94 -0.75 4.14 4.07 -1.26 -4.15 120.64 116.37 3fwc n GLU 54 Ca 0.25 0.08 -0.36 0.00 -0.06 0.00 0.00 57.16 57.07 3fwc n GLU 54 Cb 0.82 -3.03 -0.07 0.00 -0.06 0.00 0.00 31.44 29.10 3fwc n GLU 54 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3fwc n SER 55 N -1.27 0.44 -4.50 4.31 7.64 -1.26 -4.90 113.62 114.08 3fwc n SER 55 Ca 0.07 0.40 -0.25 0.00 1.01 0.00 0.00 58.87 60.10 3fwc n SER 55 Cb 0.29 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 3fwc n SER 55 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fwc s THR 56 N 3.64 1.39 0.19 0.44 -4.23 -1.26 -5.16 115.64 110.64 3fwc s THR 56 Ca 0.72 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 3fwc s THR 56 Cb -0.90 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 3fwc s THR 56 CO 0.39 0.00 0.15 0.21 -0.54 0.00 0.00 174.62 174.84 3fwc s ASN 57 N -3.61 5.53 0.25 3.99 3.84 -1.26 -4.99 114.94 118.68 3fwc s ASN 57 Ca 0.32 -0.16 0.07 0.00 0.21 0.00 0.00 52.86 53.30 3fwc s ASN 57 Cb 0.08 -1.44 0.75 0.00 -0.55 0.00 0.00 41.25 40.09 3fwc s ASN 57 CO 0.15 0.04 1.16 0.33 -2.79 0.00 0.00 177.10 175.99 3fwc n PHE 58 N -0.57 0.63 0.27 0.43 7.35 -1.26 -0.18 117.46 124.13 3fwc n PHE 58 Ca -0.08 0.88 -0.16 0.00 -0.76 0.00 0.00 57.45 57.33 3fwc n PHE 58 Cb 0.56 -1.16 -0.08 0.00 0.35 0.00 0.00 39.48 39.15 3fwc n PHE 58 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3fwc h THR 59 N 0.00 0.39 -0.31 -2.13 1.35 -1.98 0.59 112.91 110.82 3fwc h THR 59 Ca 0.52 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.45 3fwc h THR 59 Cb 1.23 0.39 -0.08 0.00 -1.73 0.00 0.00 68.15 67.96 3fwc h THR 59 CO -0.64 0.00 -0.30 1.56 -0.25 0.00 0.00 175.52 175.89 3fwc h GLN 60 N -0.73 -0.26 -0.21 4.72 1.08 -0.97 -2.10 115.11 116.64 3fwc h GLN 60 Ca -0.05 0.02 -0.17 0.00 -1.45 0.00 0.00 58.65 57.00 3fwc h GLN 60 Cb 0.60 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 3fwc h GLN 60 CO 0.04 -0.18 -0.57 0.97 -0.95 0.00 0.00 178.83 178.15 3fwc h ILE 61 N -0.27 1.31 -0.72 2.54 2.10 -1.40 -3.21 117.51 117.86 3fwc h ILE 61 Ca 0.15 -1.80 0.14 0.00 1.08 0.00 0.00 64.86 64.43 3fwc h ILE 61 Cb 0.52 1.75 -0.10 0.00 -1.09 0.00 0.00 36.82 37.90 3fwc h ILE 61 CO -0.47 0.57 0.23 0.25 -1.08 0.00 0.00 178.15 177.65 3fwc h LEU 62 N 0.49 0.14 -0.92 2.19 5.85 0.89 0.11 115.31 124.08 3fwc h LEU 62 Ca 0.01 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3fwc h LEU 62 Cb 1.13 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.25 3fwc h LEU 62 CO 0.11 0.04 0.60 0.77 -0.34 0.00 0.00 178.44 179.61 3fwc h SER 63 N 0.35 0.99 0.15 1.25 4.64 -1.49 0.44 113.55 119.89 3fwc h SER 63 Ca 0.40 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.46 3fwc h SER 63 Cb 0.64 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3fwc h SER 63 CO -0.44 0.69 -1.03 0.74 -0.87 0.00 0.00 176.83 175.91 3fwc h THR 64 N 1.16 1.33 0.02 2.95 2.02 -1.07 -3.37 112.91 115.96 3fwc h THR 64 Ca 0.36 -2.36 -0.31 0.00 0.77 0.00 0.00 66.41 64.87 3fwc h THR 64 Cb -0.01 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 3fwc h THR 64 CO -0.12 0.72 -1.83 0.52 0.37 0.00 0.00 175.52 175.19 3fwc n VAL 65 N -3.80 1.63 -0.04 3.16 0.31 0.18 -4.49 118.33 115.28 3fwc n VAL 65 Ca -0.10 -0.77 -0.06 0.00 -0.01 0.00 0.00 64.34 63.41 3fwc n VAL 65 Cb 0.88 -1.14 -0.04 0.00 -0.91 0.00 0.00 33.84 32.63 3fwc n VAL 65 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3fwc h GLU 66 N 0.01 -0.18 -0.75 5.55 4.81 -0.27 -2.18 114.58 121.57 3fwc h GLU 66 Ca -0.34 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 3fwc h GLU 66 Cb 2.03 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 31.36 3fwc h GLU 66 CO 0.07 -0.12 -0.50 -1.00 -0.73 0.00 0.00 179.01 176.73 3fwc h PRO 67 N -0.19 -0.07 -0.98 0.92 0.13 -1.79 0.28 132.00 130.31 3fwc h PRO 67 Ca 0.02 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.30 3fwc h PRO 67 Cb 0.26 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.31 3fwc h PRO 67 CO -0.22 -0.04 0.60 0.87 -0.23 0.00 0.00 178.00 178.98 3fwc h LYS 68 N -0.07 0.87 -0.18 0.86 1.79 -1.77 -2.72 116.57 115.35 3fwc h LYS 68 Ca 0.12 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3fwc h LYS 68 Cb 0.38 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3fwc h LYS 68 CO -0.74 0.58 0.11 0.00 -1.08 0.00 0.00 179.45 178.31 3fwc h ALA 69 N 1.56 0.23 -0.60 3.86 0.00 0.20 -3.12 119.26 121.39 3fwc h ALA 69 Ca 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3fwc h ALA 69 Cb 0.60 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3fwc h ALA 69 CO -0.30 -0.27 0.32 -0.07 0.00 0.00 0.00 179.25 178.93 3fwc h LEU 70 N 0.21 0.75 -0.32 0.00 4.07 -1.09 -3.07 115.31 115.86 3fwc h LEU 70 Ca 0.06 -0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.00 3fwc h LEU 70 Cb 0.02 -0.19 -0.08 0.00 1.08 0.00 0.00 40.66 41.49 3fwc h LEU 70 CO -0.01 0.63 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.41 3fwc h GLU 71 N 0.81 -0.20 0.00 1.13 4.39 -1.54 -2.78 114.58 116.39 3fwc h GLU 71 Ca 0.21 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3fwc h GLU 71 Cb 0.05 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3fwc h GLU 71 CO -0.03 -0.13 0.00 -1.33 -1.16 0.00 0.00 179.01 176.35 3fwc n MET 72 N -5.39 0.01 -1.74 2.33 2.81 -1.16 -4.68 117.12 109.30 3fwc n MET 72 Ca 0.01 0.43 -0.42 0.00 -1.81 0.00 0.00 57.70 55.90 3fwc n MET 72 Cb 0.30 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 3fwc n MET 72 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3fwc s VAL 73 N -3.02 2.64 0.23 2.03 0.11 -1.05 -4.89 120.40 116.44 3fwc s VAL 73 Ca 0.02 0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.86 3fwc s VAL 73 Cb 0.03 -3.07 -0.14 0.00 -1.53 0.00 0.00 36.38 31.68 3fwc s VAL 73 CO 0.09 -0.00 1.40 -1.54 -3.33 0.00 0.00 175.10 171.72 3fwc n SER 74 N 5.81 2.66 0.23 3.54 3.41 -1.26 -4.85 113.62 123.15 3fwc n SER 74 Ca 0.18 1.14 0.08 0.00 -0.26 0.00 0.00 58.87 60.01 3fwc n SER 74 Cb 0.39 -1.41 0.53 0.00 -0.26 0.00 0.00 64.21 63.46 3fwc n SER 74 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fwc h ASP 75 N 4.23 0.00 0.54 4.04 5.19 -1.92 0.26 116.42 128.77 3fwc h ASP 75 Ca -0.45 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.93 3fwc h ASP 75 Cb 1.28 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.80 3fwc h ASP 75 CO 0.76 0.23 -0.26 -1.28 -3.12 0.00 0.00 179.24 175.57 3fwc h SER 76 N 0.00 -0.62 -0.22 6.45 0.87 -2.00 -1.79 113.55 116.24 3fwc h SER 76 Ca -0.00 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 3fwc h SER 76 Cb 0.55 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 3fwc h SER 76 CO 0.03 -0.36 -0.15 0.71 -0.53 0.00 0.00 176.83 176.53 3fwc h THR 77 N -0.84 1.25 0.11 2.23 1.35 -1.88 -2.72 112.91 112.40 3fwc h THR 77 Ca -0.07 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 3fwc h THR 77 Cb 0.60 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3fwc h THR 77 CO 0.12 0.38 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.63 3fwc h ARG 78 N 0.58 -0.14 -1.00 4.72 2.43 -0.91 -1.30 114.38 118.76 3fwc h ARG 78 Ca 0.10 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3fwc h ARG 78 Cb 0.58 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.11 3fwc h ARG 78 CO 0.04 0.04 0.65 0.93 -1.51 0.00 0.00 179.97 180.12 3fwc h GLU 79 N -0.30 1.22 -1.00 0.20 4.39 -1.31 0.18 114.58 117.97 3fwc h GLU 79 Ca -0.01 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.62 3fwc h GLU 79 Cb 0.25 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 3fwc h GLU 79 CO 0.02 0.81 0.66 1.15 -1.16 0.00 0.00 179.01 180.49 3fwc h THR 80 N 1.26 1.26 -0.02 1.13 2.02 -1.14 0.17 112.91 117.58 3fwc h THR 80 Ca 0.40 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 3fwc h THR 80 Cb 0.01 -0.21 0.01 0.00 -1.74 0.00 0.00 68.15 66.22 3fwc h THR 80 CO -0.13 0.25 -0.44 0.58 0.37 0.00 0.00 175.52 176.16 3fwc h VAL 81 N 1.35 1.46 -0.97 3.16 2.07 -0.42 -0.38 116.25 122.52 3fwc h VAL 81 Ca 0.36 -1.97 0.09 0.00 0.82 0.00 0.00 66.70 66.01 3fwc h VAL 81 Cb -0.15 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 3fwc h VAL 81 CO -0.08 0.56 0.61 -0.07 0.02 0.00 0.00 177.57 178.61 3fwc h LEU 82 N -0.23 0.92 -0.49 2.57 3.38 -0.41 0.12 115.31 121.19 3fwc h LEU 82 Ca -0.05 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3fwc h LEU 82 Cb 1.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3fwc h LEU 82 CO 0.09 0.54 -0.56 0.50 0.09 0.00 0.00 178.44 179.10 3fwc h LYS 83 N 1.03 0.00 -0.26 1.13 3.64 -0.64 0.41 116.57 121.88 3fwc h LYS 83 Ca 0.45 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.66 3fwc h LYS 83 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3fwc h LYS 83 CO -0.23 0.56 -0.52 0.37 -2.27 0.00 0.00 179.45 177.35 3fwc h GLN 84 N 0.00 0.81 -0.51 1.90 5.75 0.02 0.19 115.11 123.28 3fwc h GLN 84 Ca -0.01 -0.53 -0.10 0.00 -0.15 0.00 0.00 58.65 57.87 3fwc h GLN 84 Cb 1.22 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 3fwc h GLN 84 CO 0.07 1.16 -0.06 0.82 -2.65 0.00 0.00 178.83 178.17 3fwc h ILE 85 N 0.57 1.27 -0.13 2.39 2.04 -0.66 -1.69 117.51 121.30 3fwc h ILE 85 Ca 0.01 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 3fwc h ILE 85 Cb 1.13 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3fwc h ILE 85 CO 0.12 0.41 0.04 -0.09 0.00 0.00 0.00 178.15 178.63 3fwc h ARG 86 N 0.80 0.21 -0.69 2.37 2.43 -0.70 -1.03 114.38 117.76 3fwc h ARG 86 Ca 0.14 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.39 3fwc h ARG 86 Cb 0.60 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.03 3fwc h ARG 86 CO 0.04 0.34 0.24 0.93 -1.51 0.00 0.00 179.97 180.01 3fwc h GLU 87 N 0.04 0.38 0.53 0.20 5.08 -0.51 0.19 114.58 120.49 3fwc h GLU 87 Ca 0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3fwc h GLU 87 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3fwc h GLU 87 CO -0.00 0.25 -0.51 0.35 -1.00 0.00 0.00 179.01 178.10 3fwc h PHE 88 N 0.39 -1.41 0.00 4.33 3.57 -0.67 -2.52 116.94 120.63 3fwc h PHE 88 Ca 0.37 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.87 3fwc h PHE 88 Cb 0.54 0.54 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 3fwc h PHE 88 CO -0.19 -0.68 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.10 3fwc h LEU 89 N -1.03 0.00 -0.18 0.59 3.38 -0.39 -2.43 115.31 115.24 3fwc h LEU 89 Ca -0.07 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 3fwc h LEU 89 Cb 0.89 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.65 3fwc h LEU 89 CO -0.05 0.04 -0.81 -0.33 0.09 0.00 0.00 178.44 177.38 3fwc h GLU 90 N 0.00 0.71 0.00 1.13 5.08 -0.32 -2.86 114.58 118.32 3fwc h GLU 90 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 3fwc h GLU 90 Cb 0.09 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3fwc h GLU 90 CO 0.00 1.21 0.00 -1.91 -1.00 0.00 0.00 179.01 177.32 3fwc n GLU 91 N -3.90 0.94 0.00 2.33 2.13 -0.92 -3.64 120.64 117.58 3fwc n GLU 91 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 3fwc n GLU 91 Cb 0.76 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.22 3fwc n GLU 91 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3fwc n ILE 92 N -0.75 0.00 1.84 6.31 5.41 -1.19 -5.12 119.36 125.87 3fwc n ILE 92 Ca 0.11 0.00 0.15 0.00 1.00 0.00 0.00 62.75 64.02 3fwc n ILE 92 Cb 0.05 -0.91 0.82 0.00 -0.71 0.00 0.00 39.64 38.89 3fwc n ILE 92 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07