#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc n LEU 8 N 0.00 0.08 -0.20 1.08 4.77 -1.26 -2.74 117.00 118.73 3fwc n LEU 8 Ca 0.00 0.52 0.21 0.00 -0.03 0.00 0.00 56.01 56.70 3fwc n LEU 8 Cb 0.00 -0.51 0.56 0.00 -2.33 0.00 0.00 43.42 41.15 3fwc n LEU 8 CO 0.00 -0.28 1.23 0.11 -1.33 0.00 0.00 177.39 177.12 3fwc h LYS 9 N 0.00 0.29 -0.17 3.23 1.57 -2.06 0.91 116.57 120.35 3fwc h LYS 9 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3fwc h LYS 9 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3fwc h LYS 9 CO 0.00 0.19 -0.42 1.03 -0.57 0.00 0.00 179.45 179.68 3fwc h SER 10 N 0.30 0.41 -0.02 0.86 0.87 -1.95 0.91 113.55 114.94 3fwc h SER 10 Ca 0.43 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3fwc h SER 10 Cb 1.23 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3fwc h SER 10 CO -0.13 0.79 0.03 -0.61 -0.53 0.00 0.00 176.83 176.38 3fwc h GLN 11 N 0.32 0.00 0.00 2.24 4.15 -1.02 -1.71 115.11 119.09 3fwc h GLN 11 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 3fwc h GLN 11 Cb 0.87 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 3fwc h GLN 11 CO 0.07 0.00 -0.48 0.82 -1.93 0.00 0.00 178.83 177.31 3fwc h ILE 12 N 0.00 0.08 -0.89 2.39 1.08 -0.99 -3.22 117.51 115.95 3fwc h ILE 12 Ca 0.01 -1.09 0.26 0.00 -0.39 0.00 0.00 64.86 63.65 3fwc h ILE 12 Cb 0.07 0.18 -0.17 0.00 -3.07 0.00 0.00 36.82 33.83 3fwc h ILE 12 CO -0.00 0.03 0.06 0.00 -0.69 0.00 0.00 178.15 177.54 3fwc n GLN 13 N -4.63 -0.07 0.29 2.37 1.13 0.19 -0.24 117.38 116.42 3fwc n GLN 13 Ca -0.08 1.33 -0.16 0.00 -1.94 0.00 0.00 57.00 56.15 3fwc n GLN 13 Cb 0.26 -2.13 -0.08 0.00 0.11 0.00 0.00 30.24 28.39 3fwc n GLN 13 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3fwc h GLN 14 N 0.00 -0.68 -0.06 -1.09 4.15 -1.47 -2.77 115.11 113.19 3fwc h GLN 14 Ca 0.56 0.05 0.02 0.00 0.77 0.00 0.00 58.65 60.04 3fwc h GLN 14 Cb 1.19 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 29.04 3fwc h GLN 14 CO -0.83 -0.41 0.04 -0.92 -1.93 0.00 0.00 178.83 174.79 3fwc h TYR 15 N -0.81 0.00 -0.62 3.99 3.20 -0.62 0.27 116.97 122.38 3fwc h TYR 15 Ca -0.07 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.87 3fwc h TYR 15 Cb 0.58 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 3fwc h TYR 15 CO -0.02 0.00 0.30 1.25 -1.64 0.00 0.00 178.16 178.05 3fwc h LEU 16 N 0.00 0.41 0.15 2.82 5.85 -0.51 -1.45 115.31 122.58 3fwc h LEU 16 Ca 0.03 0.05 -0.22 0.00 0.84 0.00 0.00 57.88 58.57 3fwc h LEU 16 Cb 0.11 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.13 3fwc h LEU 16 CO -0.00 0.26 -1.01 0.58 -0.34 0.00 0.00 178.44 177.93 3fwc h VAL 17 N 0.55 1.40 0.00 1.05 2.07 -0.83 -1.51 116.25 118.98 3fwc h VAL 17 Ca 0.29 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3fwc h VAL 17 Cb 0.25 3.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3fwc h VAL 17 CO -0.22 0.73 0.00 -0.62 0.02 0.00 0.00 177.57 177.48 3fwc n GLU 18 N -4.03 0.71 0.00 1.57 -0.58 0.75 -1.67 120.64 117.39 3fwc n GLU 18 Ca -0.16 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.60 3fwc n GLU 18 Cb 0.88 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.50 3fwc n GLU 18 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3fwc n SER 19 N -0.76 1.00 0.00 1.62 3.41 -0.56 -4.99 113.62 113.35 3fwc n SER 19 Ca 0.09 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 3fwc n SER 19 Cb 0.04 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3fwc n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fwc n GLY 20 N 0.63 0.69 0.20 5.00 0.00 -0.67 -4.90 105.19 106.14 3fwc n GLY 20 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -0.44 1.61 2.35 -1.70 -2.94 115.58 114.46 3fwc h ASN 21 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3fwc h ASN 21 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3fwc h ASN 21 CO 0.00 0.30 -0.06 0.22 -1.65 0.00 0.00 177.43 176.23 3fwc h TYR 22 N 0.00 0.97 -0.13 1.19 3.20 -1.57 -2.61 116.97 118.01 3fwc h TYR 22 Ca -0.00 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 3fwc h TYR 22 Cb 0.94 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 3fwc h TYR 22 CO 0.00 0.91 -0.02 1.49 -1.64 0.00 0.00 178.16 178.90 3fwc h GLU 23 N 0.80 0.24 -0.22 1.82 4.81 -1.83 -2.21 114.58 118.00 3fwc h GLU 23 Ca 0.14 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3fwc h GLU 23 Cb 0.57 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.87 3fwc h GLU 23 CO 0.03 0.52 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.54 3fwc h LEU 24 N -0.06 -0.72 -0.29 1.64 3.38 -1.39 -0.77 115.31 117.11 3fwc h LEU 24 Ca 0.03 0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3fwc h LEU 24 Cb 0.42 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3fwc h LEU 24 CO 0.01 -0.27 -0.85 0.40 0.09 0.00 0.00 178.44 177.82 3fwc h ILE 25 N -0.24 1.43 -0.52 1.22 2.04 -1.53 -2.01 117.51 117.89 3fwc h ILE 25 Ca 0.13 -2.41 -0.10 0.00 1.00 0.00 0.00 64.86 63.48 3fwc h ILE 25 Cb 0.44 2.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3fwc h ILE 25 CO -0.36 0.71 -0.08 -1.28 0.00 0.00 0.00 178.15 177.15 3fwc h SER 26 N 0.20 0.94 -0.07 1.72 0.87 -1.02 -0.85 113.55 115.34 3fwc h SER 26 Ca -0.05 -0.29 -0.17 0.00 -1.23 0.00 0.00 61.79 60.05 3fwc h SER 26 Cb 1.46 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3fwc h SER 26 CO 0.14 1.04 -0.56 0.78 -0.53 0.00 0.00 176.83 177.70 3fwc h ASN 27 N 0.85 0.74 -0.38 6.23 2.35 -1.07 -0.12 115.58 124.18 3fwc h ASN 27 Ca 0.14 -0.40 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 3fwc h ASN 27 Cb 0.61 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3fwc h ASN 27 CO 0.04 1.14 0.01 -0.33 -1.65 0.00 0.00 177.43 176.65 3fwc h GLU 28 N 0.50 0.75 -0.30 0.81 5.08 -1.22 0.10 114.58 120.31 3fwc h GLU 28 Ca 0.01 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 3fwc h GLU 28 Cb 1.13 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3fwc h GLU 28 CO 0.11 0.75 -0.28 1.25 -1.00 0.00 0.00 179.01 179.85 3fwc h LEU 29 N 0.71 0.76 0.85 1.33 5.85 -0.93 -2.71 115.31 121.16 3fwc h LEU 29 Ca 0.14 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3fwc h LEU 29 Cb 0.42 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3fwc h LEU 29 CO 0.02 1.07 -0.41 0.50 -0.34 0.00 0.00 178.44 179.28 3fwc h LYS 30 N 0.46 -1.10 -1.09 1.25 3.64 -0.76 -0.53 116.57 118.45 3fwc h LYS 30 Ca 0.05 0.07 0.30 0.00 -1.27 0.00 0.00 60.65 59.80 3fwc h LYS 30 Cb 0.85 0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 3fwc h LYS 30 CO 0.07 -0.73 0.72 0.00 -2.27 0.00 0.00 179.45 177.23 3fwc h ALA 31 N -1.32 2.44 0.14 5.00 0.00 -0.87 0.27 119.26 124.92 3fwc h ALA 31 Ca -0.12 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 3fwc h ALA 31 Cb 0.87 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3fwc h ALA 31 CO 0.19 -0.85 -1.34 0.00 0.00 0.00 0.00 179.25 177.25 3fwc h ARG 32 N 0.29 0.29 -0.39 0.00 3.08 -1.37 -1.61 114.38 114.67 3fwc h ARG 32 Ca 0.61 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 60.17 3fwc h ARG 32 Cb 1.74 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.95 3fwc h ARG 32 CO -0.26 1.24 0.26 -0.07 -1.07 0.00 0.00 179.97 180.07 3fwc h LEU 33 N -0.24 0.44 -0.03 3.04 3.38 -0.09 -2.22 115.31 119.60 3fwc h LEU 33 Ca -0.27 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3fwc h LEU 33 Cb 1.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3fwc h LEU 33 CO 0.10 0.32 -0.14 0.25 0.09 0.00 0.00 178.44 179.06 3fwc h LEU 34 N 0.52 0.17 -0.94 1.67 5.85 -0.52 0.44 115.31 122.51 3fwc h LEU 34 Ca 0.15 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3fwc h LEU 34 Cb -0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3fwc h LEU 34 CO -0.03 0.81 0.54 -0.61 -0.34 0.00 0.00 178.44 178.81 3fwc h GLN 35 N -0.45 1.28 -0.17 1.25 -0.00 -1.07 -1.01 115.11 114.94 3fwc h GLN 35 Ca -0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 3fwc h GLN 35 Cb 0.80 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 28.02 3fwc h GLN 35 CO 0.03 0.91 0.00 -0.85 0.00 0.00 0.00 178.83 178.92 3fwc n GLU 36 N -4.34 1.51 -1.00 1.69 0.28 -0.85 -4.89 120.64 113.03 3fwc n GLU 36 Ca 0.10 -0.78 -0.00 0.00 -0.16 0.00 0.00 57.16 56.33 3fwc n GLU 36 Cb 0.07 -1.27 -0.00 0.00 1.43 0.00 0.00 31.44 31.67 3fwc n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fwc n GLY 37 N 0.94 0.45 0.23 -1.84 0.00 -0.38 -4.94 105.19 99.65 3fwc n GLY 37 Ca 0.12 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.46 -0.85 1.61 7.01 -0.33 -3.11 115.95 119.82 3fwc h TRP 38 Ca -0.00 -0.01 0.22 0.00 2.11 0.00 0.00 58.89 61.20 3fwc h TRP 38 Cb 0.02 0.15 -0.15 0.00 -2.10 0.00 0.00 29.16 27.08 3fwc h TRP 38 CO 0.01 -0.16 0.08 0.28 -2.79 0.00 0.00 178.44 175.86 3fwc h VAL 39 N -0.74 0.25 0.64 2.65 2.07 -1.75 -2.32 116.25 117.04 3fwc h VAL 39 Ca -0.05 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3fwc h VAL 39 Cb 0.51 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3fwc h VAL 39 CO 0.08 0.02 -0.31 0.44 0.02 0.00 0.00 177.57 177.83 3fwc h ASP 40 N 0.11 -0.72 -0.71 0.57 3.32 -1.85 -1.55 116.42 115.58 3fwc h ASP 40 Ca 0.50 0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.73 3fwc h ASP 40 Cb 0.97 0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.60 3fwc h ASP 40 CO -0.73 -0.50 0.13 0.11 -1.72 0.00 0.00 179.24 176.54 3fwc h LYS 41 N -0.90 0.22 -0.67 3.56 1.57 -1.43 0.08 116.57 119.00 3fwc h LYS 41 Ca -0.09 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3fwc h LYS 41 Cb 0.66 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3fwc h LYS 41 CO 0.14 0.15 0.45 0.28 -0.57 0.00 0.00 179.45 179.90 3fwc h VAL 42 N 0.23 1.17 -0.70 0.50 2.07 -1.37 -0.82 116.25 117.34 3fwc h VAL 42 Ca 0.39 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 3fwc h VAL 42 Cb 0.67 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3fwc h VAL 42 CO -0.52 0.17 0.19 0.50 0.02 0.00 0.00 177.57 177.93 3fwc h LYS 43 N 0.92 1.09 0.89 1.57 3.64 0.01 -1.45 116.57 123.23 3fwc h LYS 43 Ca 0.25 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3fwc h LYS 43 Cb -0.11 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3fwc h LYS 43 CO -0.05 0.95 -0.43 -0.44 -2.27 0.00 0.00 179.45 177.21 3fwc h ASP 44 N 1.05 -1.01 0.44 4.20 3.32 -0.43 -1.88 116.42 122.11 3fwc h ASP 44 Ca 0.22 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3fwc h ASP 44 Cb 0.33 0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3fwc h ASP 44 CO -0.00 -0.72 -0.15 0.25 -1.72 0.00 0.00 179.24 176.90 3fwc h LEU 45 N -1.19 0.00 0.34 1.55 5.85 -1.12 0.51 115.31 121.24 3fwc h LEU 45 Ca -0.12 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fwc h LEU 45 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3fwc h LEU 45 CO 0.20 0.15 -0.16 0.71 -0.34 0.00 0.00 178.44 178.99 3fwc h THR 46 N 0.00 0.34 -0.88 1.05 1.35 -1.27 -1.84 112.91 111.65 3fwc h THR 46 Ca -0.00 -0.74 0.17 0.00 -0.55 0.00 0.00 66.41 65.29 3fwc h THR 46 Cb 0.41 0.54 -0.17 0.00 -1.73 0.00 0.00 68.15 67.21 3fwc h THR 46 CO 0.02 0.08 -0.24 0.11 -0.25 0.00 0.00 175.52 175.24 3fwc h LYS 47 N -1.02 -0.01 -0.06 4.72 1.57 -0.88 0.70 116.57 121.58 3fwc h LYS 47 Ca -0.05 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3fwc h LYS 47 Cb 0.48 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 3fwc h LYS 47 CO 0.08 -0.00 -0.30 0.77 -0.57 0.00 0.00 179.45 179.42 3fwc h SER 48 N -0.01 -0.93 -0.61 0.86 0.02 0.05 0.25 113.55 113.19 3fwc h SER 48 Ca 0.41 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.56 3fwc h SER 48 Cb 0.64 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 63.51 3fwc h SER 48 CO -0.91 -0.36 0.29 -0.08 -1.14 0.00 0.00 176.83 174.63 3fwc h GLU 49 N -0.42 0.52 -0.13 3.45 4.81 -0.61 -1.30 114.58 120.90 3fwc h GLU 49 Ca 0.08 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3fwc h GLU 49 Cb 0.53 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3fwc h GLU 49 CO -0.30 0.34 0.19 0.52 -0.73 0.00 0.00 179.01 179.04 3fwc h MET 50 N 0.53 0.00 0.00 1.92 2.86 0.17 0.43 114.93 120.84 3fwc h MET 50 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3fwc h MET 50 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3fwc h MET 50 CO -0.22 0.00 0.00 0.09 1.06 0.00 0.00 176.91 177.84 3fwc n ASN 51 N -3.54 0.00 -1.05 1.22 4.13 0.10 0.25 115.26 116.37 3fwc n ASN 51 Ca 0.00 0.22 -0.00 0.00 1.68 0.00 0.00 54.58 56.48 3fwc n ASN 51 Cb 0.30 -0.32 0.11 0.00 -1.54 0.00 0.00 39.78 38.33 3fwc n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3fwc n ILE 52 N -1.32 1.07 -0.52 2.41 3.06 0.15 -5.02 119.36 119.20 3fwc n ILE 52 Ca 0.04 -0.48 -0.29 0.00 -2.50 0.00 0.00 62.75 59.51 3fwc n ILE 52 Cb 0.07 -0.53 0.24 0.00 0.54 0.00 0.00 39.64 39.96 3fwc n ILE 52 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3fwc n ASN 53 N 0.15 -2.18 -2.92 9.51 0.23 0.69 -4.25 115.26 116.49 3fwc n ASN 53 Ca 0.11 -0.22 -0.08 0.00 -0.53 0.00 0.00 54.58 53.86 3fwc n ASN 53 Cb 0.63 -1.13 0.04 0.00 -2.08 0.00 0.00 39.78 37.24 3fwc n ASN 53 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3fwc n GLU 54 N -4.05 -1.61 0.00 -3.83 -0.58 -1.26 -4.88 120.64 104.42 3fwc n GLU 54 Ca 0.02 0.96 0.00 0.00 -0.42 0.00 0.00 57.16 57.72 3fwc n GLU 54 Cb 0.57 -5.14 0.00 0.00 -0.57 0.00 0.00 31.44 26.30 3fwc n GLU 54 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3fwc n SER 55 N -2.48 0.00 -4.38 1.62 7.64 -1.26 -5.10 113.62 109.66 3fwc n SER 55 Ca -0.04 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 3fwc n SER 55 Cb 0.56 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 2.11 0.90 0.44 -4.23 -1.26 -4.82 115.64 108.79 3fwc s THR 56 Ca 0.00 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 3fwc s THR 56 Cb 0.00 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.88 3fwc s THR 56 CO 0.00 -0.16 0.35 -3.20 -0.54 0.00 0.00 174.62 171.07 3fwc n ASN 57 N 0.40 -2.17 -0.33 3.99 5.15 -1.26 -4.29 115.26 116.75 3fwc n ASN 57 Ca -0.14 0.38 0.19 0.00 -0.60 0.00 0.00 54.58 54.41 3fwc n ASN 57 Cb 0.56 -1.18 0.44 0.00 -0.53 0.00 0.00 39.78 39.07 3fwc n ASN 57 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3fwc h PHE 58 N -1.27 0.84 -0.54 1.20 3.57 -2.00 0.54 116.94 119.28 3fwc h PHE 58 Ca -0.44 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 3fwc h PHE 58 Cb 1.30 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3fwc h PHE 58 CO 0.37 0.10 0.05 1.15 -2.23 0.00 0.00 178.31 177.74 3fwc h THR 59 N 0.52 1.25 0.00 4.41 2.02 -1.98 0.24 112.91 119.36 3fwc h THR 59 Ca 0.60 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 3fwc h THR 59 Cb 1.29 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3fwc h THR 59 CO -0.36 0.36 -0.17 1.56 0.37 0.00 0.00 175.52 177.27 3fwc h GLN 60 N 0.83 0.00 0.09 6.66 4.20 -1.16 -0.98 115.11 124.74 3fwc h GLN 60 Ca 0.16 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.60 3fwc h GLN 60 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3fwc h GLN 60 CO 0.01 0.17 -1.46 0.97 -0.67 0.00 0.00 178.83 177.86 3fwc h ILE 61 N 0.00 0.95 -0.32 2.54 2.10 -1.30 -3.33 117.51 118.15 3fwc h ILE 61 Ca -0.00 -2.34 0.05 0.00 1.08 0.00 0.00 64.86 63.64 3fwc h ILE 61 Cb 0.64 2.59 -0.04 0.00 -1.09 0.00 0.00 36.82 38.92 3fwc h ILE 61 CO 0.02 0.66 0.05 0.25 -1.08 0.00 0.00 178.15 178.05 3fwc h LEU 62 N -0.39 -0.01 -1.33 2.19 6.46 -0.48 -1.46 115.31 120.28 3fwc h LEU 62 Ca -0.33 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.54 3fwc h LEU 62 Cb 1.70 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 41.66 3fwc h LEU 62 CO 0.01 0.03 0.49 -1.28 -0.62 0.00 0.00 178.44 177.07 3fwc h SER 63 N 0.16 0.73 1.15 1.25 0.87 -1.38 0.48 113.55 116.82 3fwc h SER 63 Ca 0.15 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3fwc h SER 63 Cb 0.17 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3fwc h SER 63 CO -0.21 0.49 -0.14 0.41 -0.53 0.00 0.00 176.83 176.85 3fwc n THR 64 N -4.47 0.33 0.00 2.23 -1.04 -0.64 -4.37 114.28 106.32 3fwc n THR 64 Ca 0.10 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3fwc n THR 64 Cb 0.17 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 3fwc n THR 64 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3fwc n VAL 65 N -1.94 0.00 -0.11 12.58 0.24 -0.66 -4.87 118.33 123.58 3fwc n VAL 65 Ca 0.06 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.30 3fwc n VAL 65 Cb 0.40 -0.56 0.01 0.00 -1.47 0.00 0.00 33.84 32.21 3fwc n VAL 65 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3fwc h GLU 66 N 0.00 0.01 -0.67 7.34 4.81 -0.24 -1.77 114.58 124.06 3fwc h GLU 66 Ca 0.00 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3fwc h GLU 66 Cb 0.57 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.88 3fwc h GLU 66 CO 0.00 0.01 0.30 -1.00 -0.73 0.00 0.00 179.01 177.59 3fwc h PRO 67 N 0.01 0.50 -0.11 0.92 0.13 -1.79 -0.07 132.00 131.59 3fwc h PRO 67 Ca 0.18 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3fwc h PRO 67 Cb 0.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.28 3fwc h PRO 67 CO -0.37 0.33 0.00 0.36 -0.23 0.00 0.00 178.00 178.09 3fwc n LYS 68 N -4.92 1.54 -0.11 0.86 2.85 -0.96 -3.60 118.16 113.82 3fwc n LYS 68 Ca 0.10 -0.81 -0.16 0.00 -1.05 0.00 0.00 58.31 56.39 3fwc n LYS 68 Cb 0.28 -1.39 -0.10 0.00 -0.65 0.00 0.00 35.03 33.17 3fwc n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fwc n ALA 69 N 0.02 1.52 0.30 0.58 0.00 -0.56 -4.26 120.51 118.11 3fwc n ALA 69 Ca 0.16 -0.95 0.18 0.00 0.00 0.00 0.00 53.44 52.83 3fwc n ALA 69 Cb 0.27 -0.00 0.97 0.00 0.00 0.00 0.00 19.45 20.69 3fwc n ALA 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fwc h LEU 70 N -0.05 0.00 0.08 0.00 3.38 -1.13 -2.83 115.31 114.77 3fwc h LEU 70 Ca -0.50 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.29 3fwc h LEU 70 Cb 1.76 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.52 3fwc h LEU 70 CO -0.09 0.03 -0.73 -0.08 0.09 0.00 0.00 178.44 177.66 3fwc h GLU 71 N 0.00 0.34 0.00 1.13 4.81 -1.76 -3.35 114.58 115.75 3fwc h GLU 71 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3fwc h GLU 71 Cb 0.13 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3fwc h GLU 71 CO 0.00 1.19 0.00 -1.33 -0.73 0.00 0.00 179.01 178.14 3fwc n MET 72 N -4.16 0.77 -2.30 1.92 0.00 -1.07 -4.71 117.12 107.57 3fwc n MET 72 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.15 3fwc n MET 72 Cb 0.76 -1.28 -0.02 0.00 0.00 0.00 0.00 33.22 32.67 3fwc n MET 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3fwc s VAL 73 N -2.00 4.05 0.17 2.03 0.11 -1.25 -4.94 120.40 118.58 3fwc s VAL 73 Ca 0.21 1.30 -0.31 0.00 -2.93 0.00 0.00 61.98 60.25 3fwc s VAL 73 Cb 0.10 -3.84 -0.17 0.00 -1.53 0.00 0.00 36.38 30.94 3fwc s VAL 73 CO 0.16 -0.09 0.81 -0.24 -3.33 0.00 0.00 175.10 172.41 3fwc n SER 74 N 6.47 -0.14 -0.24 3.54 2.88 -1.26 -4.68 113.62 120.19 3fwc n SER 74 Ca 0.14 1.15 0.02 0.00 -1.33 0.00 0.00 58.87 58.85 3fwc n SER 74 Cb 0.44 -1.05 0.14 0.00 -0.75 0.00 0.00 64.21 63.00 3fwc n SER 74 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3fwc h ASP 75 N 1.95 0.36 -0.60 -3.46 3.32 -1.92 0.18 116.42 116.25 3fwc h ASP 75 Ca -0.37 0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.81 3fwc h ASP 75 Cb 1.40 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 3fwc h ASP 75 CO 0.61 0.19 0.33 -1.28 -1.72 0.00 0.00 179.24 177.37 3fwc h SER 76 N 0.52 0.49 -0.19 6.45 0.87 -2.00 -1.46 113.55 118.22 3fwc h SER 76 Ca 0.36 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.90 3fwc h SER 76 Cb 0.44 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3fwc h SER 76 CO -0.31 0.33 -0.04 0.74 -0.53 0.00 0.00 176.83 177.01 3fwc h THR 77 N 0.62 1.28 -0.41 2.23 2.02 -1.65 -2.69 112.91 114.30 3fwc h THR 77 Ca 0.26 -1.01 0.06 0.00 0.77 0.00 0.00 66.41 66.49 3fwc h THR 77 Cb 0.14 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 3fwc h THR 77 CO -0.16 0.30 0.10 -0.09 0.37 0.00 0.00 175.52 176.05 3fwc h ARG 78 N 0.09 0.24 -0.05 6.66 2.43 -0.43 -1.94 114.38 121.37 3fwc h ARG 78 Ca 0.05 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.06 3fwc h ARG 78 Cb 0.48 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3fwc h ARG 78 CO 0.02 0.16 -0.60 0.93 -1.51 0.00 0.00 179.97 178.96 3fwc h GLU 79 N 0.24 0.17 -0.16 0.20 4.39 -1.30 -1.69 114.58 116.43 3fwc h GLU 79 Ca 0.20 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3fwc h GLU 79 Cb 0.22 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3fwc h GLU 79 CO -0.24 0.72 -0.11 1.15 -1.16 0.00 0.00 179.01 179.37 3fwc h THR 80 N 0.13 1.33 -0.28 1.13 2.02 -1.22 -2.49 112.91 113.53 3fwc h THR 80 Ca -0.01 -1.22 -0.17 0.00 0.77 0.00 0.00 66.41 65.79 3fwc h THR 80 Cb 1.10 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 3fwc h THR 80 CO 0.09 0.36 -0.48 0.58 0.37 0.00 0.00 175.52 176.44 3fwc h VAL 81 N 0.01 1.29 -0.69 3.16 2.07 -1.36 -1.89 116.25 118.83 3fwc h VAL 81 Ca 0.03 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.92 3fwc h VAL 81 Cb 0.62 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3fwc h VAL 81 CO 0.03 0.54 0.41 -0.07 0.02 0.00 0.00 177.57 178.51 3fwc h LEU 82 N 0.59 0.65 -0.41 2.57 3.38 -1.36 -1.62 115.31 119.11 3fwc h LEU 82 Ca 0.02 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3fwc h LEU 82 Cb 1.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3fwc h LEU 82 CO 0.11 0.44 0.01 0.50 0.09 0.00 0.00 178.44 179.58 3fwc h LYS 83 N 0.79 0.72 -0.92 1.13 3.64 -1.26 0.91 116.57 121.57 3fwc h LYS 83 Ca 0.29 -0.23 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3fwc h LYS 83 Cb 0.10 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3fwc h LYS 83 CO -0.14 0.80 0.61 0.37 -2.27 0.00 0.00 179.45 178.81 3fwc h GLN 84 N 0.55 1.18 -0.19 1.90 5.75 -0.97 0.44 115.11 123.77 3fwc h GLN 84 Ca 0.12 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 3fwc h GLN 84 Cb 0.47 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 3fwc h GLN 84 CO 0.02 0.78 -0.14 0.82 -2.65 0.00 0.00 178.83 177.65 3fwc h ILE 85 N 1.21 1.32 0.21 2.39 2.04 -1.05 -2.33 117.51 121.31 3fwc h ILE 85 Ca 0.35 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.95 3fwc h ILE 85 Cb -0.08 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3fwc h ILE 85 CO -0.09 0.38 -0.25 -0.09 0.00 0.00 0.00 178.15 178.10 3fwc h ARG 86 N 0.11 -0.49 -0.89 2.37 2.43 0.22 -1.35 114.38 116.78 3fwc h ARG 86 Ca 0.04 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.45 3fwc h ARG 86 Cb 0.66 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.20 3fwc h ARG 86 CO 0.04 -0.33 0.40 0.93 -1.51 0.00 0.00 179.97 179.50 3fwc h GLU 87 N -0.51 0.41 0.05 0.20 5.08 -0.15 -0.69 114.58 118.98 3fwc h GLU 87 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3fwc h GLU 87 Cb 0.49 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 3fwc h GLU 87 CO -0.08 0.27 -0.25 0.35 -1.00 0.00 0.00 179.01 178.30 3fwc h PHE 88 N 0.42 -0.66 -0.13 4.33 3.57 -0.67 -2.80 116.94 121.01 3fwc h PHE 88 Ca 0.55 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.97 3fwc h PHE 88 Cb 1.03 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 3fwc h PHE 88 CO -0.13 -0.34 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.16 3fwc h LEU 89 N -0.41 0.27 -1.11 0.59 3.38 -0.81 -2.71 115.31 114.51 3fwc h LEU 89 Ca 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fwc h LEU 89 Cb 0.47 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3fwc h LEU 89 CO -0.18 0.63 0.54 -0.33 0.09 0.00 0.00 178.44 179.18 3fwc h GLU 90 N 0.23 1.14 0.00 1.13 5.08 -1.10 -0.73 114.58 120.33 3fwc h GLU 90 Ca 0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fwc h GLU 90 Cb 0.77 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3fwc h GLU 90 CO 0.06 0.78 0.00 -1.91 -1.00 0.00 0.00 179.01 176.94 3fwc n GLU 91 N -4.39 0.47 -0.00 2.33 4.07 -1.02 -2.88 120.64 119.22 3fwc n GLU 91 Ca 0.09 0.04 0.01 0.00 -0.06 0.00 0.00 57.16 57.25 3fwc n GLU 91 Cb 0.04 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 29.91 3fwc n GLU 91 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3fwc n ILE 92 N -1.11 0.00 -0.43 6.31 5.41 -0.36 -5.13 119.36 124.05 3fwc n ILE 92 Ca 0.12 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3fwc n ILE 92 Cb 0.10 0.57 0.00 0.00 -0.71 0.00 0.00 39.64 39.60 3fwc n ILE 92 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07