#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc h GLN 7 N 0.00 -0.49 -0.80 0.00 3.07 -2.06 -2.52 115.11 112.31 3fwc h GLN 7 Ca 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.74 3fwc h GLN 7 Cb 0.00 0.11 -0.04 0.00 0.08 0.00 0.00 27.48 27.64 3fwc h GLN 7 CO 0.00 -0.33 0.37 1.25 0.09 0.00 0.00 178.83 180.21 3fwc h LEU 8 N -0.51 1.06 -0.17 0.06 5.85 -2.06 -2.57 115.31 116.97 3fwc h LEU 8 Ca 0.06 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3fwc h LEU 8 Cb 0.65 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3fwc h LEU 8 CO -0.47 0.91 -0.11 0.11 -0.34 0.00 0.00 178.44 178.54 3fwc h LYS 9 N 1.13 -0.10 -0.77 1.25 1.57 -1.91 0.12 116.57 117.86 3fwc h LYS 9 Ca 0.27 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 3fwc h LYS 9 Cb 0.14 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.40 3fwc h LYS 9 CO -0.03 -0.07 0.41 0.77 -0.57 0.00 0.00 179.45 179.96 3fwc h SER 10 N -0.10 0.55 -0.52 0.86 0.02 -1.08 0.55 113.55 113.82 3fwc h SER 10 Ca 0.10 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3fwc h SER 10 Cb 0.25 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3fwc h SER 10 CO -0.24 0.30 0.29 1.56 -1.14 0.00 0.00 176.83 177.60 3fwc h GLN 11 N 0.67 0.55 -0.36 3.45 4.20 -0.80 -2.37 115.11 120.45 3fwc h GLN 11 Ca 0.39 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 59.00 3fwc h GLN 11 Cb 0.41 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3fwc h GLN 11 CO -0.28 0.36 -0.03 0.82 -0.67 0.00 0.00 178.83 179.03 3fwc h ILE 12 N 0.56 1.22 0.00 2.54 1.08 0.12 -2.71 117.51 120.33 3fwc h ILE 12 Ca 0.22 -0.90 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3fwc h ILE 12 Cb 0.09 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3fwc h ILE 12 CO -0.13 0.31 -0.00 -0.61 -0.69 0.00 0.00 178.15 177.02 3fwc h GLN 13 N 0.55 -0.01 -0.94 2.37 4.15 -0.53 -1.73 115.11 118.97 3fwc h GLN 13 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.61 3fwc h GLN 13 Cb 0.40 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 3fwc h GLN 13 CO 0.02 0.24 0.58 0.37 -1.93 0.00 0.00 178.83 178.11 3fwc h GLN 14 N -0.25 0.98 -0.20 1.69 4.15 -1.20 -1.53 115.11 118.74 3fwc h GLN 14 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3fwc h GLN 14 Cb 0.25 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3fwc h GLN 14 CO 0.00 0.65 0.05 -0.92 -1.93 0.00 0.00 178.83 176.68 3fwc h TYR 15 N 1.01 0.34 -0.51 3.99 3.20 -1.36 0.16 116.97 123.81 3fwc h TYR 15 Ca 0.43 -0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.36 3fwc h TYR 15 Cb 0.29 -0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.37 3fwc h TYR 15 CO -0.02 0.43 -0.09 1.25 -1.64 0.00 0.00 178.16 178.09 3fwc h LEU 16 N 0.15 -0.40 0.21 2.82 5.85 -0.52 -0.59 115.31 122.83 3fwc h LEU 16 Ca 0.06 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3fwc h LEU 16 Cb 0.26 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3fwc h LEU 16 CO 0.00 -0.14 -0.10 0.58 -0.34 0.00 0.00 178.44 178.44 3fwc h VAL 17 N 0.03 0.80 -0.36 1.05 2.07 -1.15 -1.23 116.25 117.45 3fwc h VAL 17 Ca 0.25 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.88 3fwc h VAL 17 Cb 0.38 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3fwc h VAL 17 CO -0.50 0.18 0.25 1.05 0.02 0.00 0.00 177.57 178.57 3fwc h GLU 18 N -0.81 0.28 -0.22 1.57 -0.00 -0.54 0.30 114.58 115.16 3fwc h GLU 18 Ca -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.31 3fwc h GLU 18 Cb 0.51 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.20 3fwc h GLU 18 CO 0.05 0.18 0.00 0.45 -0.00 0.00 0.00 179.01 179.69 3fwc n SER 19 N -4.48 1.45 0.00 3.06 2.88 -0.24 -4.88 113.62 111.41 3fwc n SER 19 Ca 0.04 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 3fwc n SER 19 Cb 0.23 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.01 1.54 0.40 0.46 0.00 0.09 -4.79 105.19 103.90 3fwc n GLY 20 Ca 0.12 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.37 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 0.46 0.23 1.61 -0.26 -1.68 -0.64 115.58 115.31 3fwc h ASN 21 Ca 0.00 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3fwc h ASN 21 Cb 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3fwc h ASN 21 CO 0.00 0.09 -0.12 0.22 -1.06 0.00 0.00 177.43 176.56 3fwc h TYR 22 N 0.41 -0.31 -0.65 1.19 3.20 -1.47 -1.88 116.97 117.46 3fwc h TYR 22 Ca 0.60 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.56 3fwc h TYR 22 Cb 1.48 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.79 3fwc h TYR 22 CO -0.00 -0.19 0.27 1.49 -1.64 0.00 0.00 178.16 178.08 3fwc h GLU 23 N -0.33 0.45 0.18 1.82 4.57 -1.44 0.23 114.58 120.06 3fwc h GLU 23 Ca -0.03 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3fwc h GLU 23 Cb 0.26 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3fwc h GLU 23 CO 0.04 0.30 -0.26 -0.07 -1.18 0.00 0.00 179.01 177.84 3fwc h LEU 24 N 0.46 -0.73 -0.98 1.64 3.38 -1.11 0.71 115.31 118.69 3fwc h LEU 24 Ca 0.33 0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.28 3fwc h LEU 24 Cb 0.41 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3fwc h LEU 24 CO -0.31 -0.36 -0.31 0.40 0.09 0.00 0.00 178.44 177.95 3fwc h ILE 25 N -0.51 1.27 0.19 1.22 1.08 -0.93 -2.16 117.51 117.68 3fwc h ILE 25 Ca 0.01 -1.33 -0.01 0.00 -0.39 0.00 0.00 64.86 63.15 3fwc h ILE 25 Cb 0.50 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 3fwc h ILE 25 CO -0.11 0.41 -0.09 -1.28 -0.69 0.00 0.00 178.15 176.39 3fwc h SER 26 N 0.31 -0.21 0.32 1.72 0.87 -0.21 -2.17 113.55 114.18 3fwc h SER 26 Ca 0.04 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3fwc h SER 26 Cb 0.70 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 3fwc h SER 26 CO 0.05 0.32 -0.39 -1.13 -0.53 0.00 0.00 176.83 175.15 3fwc h ASN 27 N -0.87 -1.07 -0.93 6.23 -1.24 -0.93 -0.64 115.58 116.13 3fwc h ASN 27 Ca -0.03 0.10 0.15 0.00 0.71 0.00 0.00 56.30 57.23 3fwc h ASN 27 Cb 0.51 0.37 -0.08 0.00 0.73 0.00 0.00 38.32 39.86 3fwc h ASN 27 CO 0.04 -0.52 0.59 -0.33 -1.29 0.00 0.00 177.43 175.93 3fwc h GLU 28 N -0.75 0.73 -0.36 6.67 5.08 -1.47 0.23 114.58 124.72 3fwc h GLU 28 Ca -0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3fwc h GLU 28 Cb 0.69 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3fwc h GLU 28 CO -0.10 0.48 -0.08 1.25 -1.00 0.00 0.00 179.01 179.55 3fwc h LEU 29 N 0.75 0.70 0.30 1.33 5.85 -1.09 -2.49 115.31 120.65 3fwc h LEU 29 Ca 0.48 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3fwc h LEU 29 Cb 0.72 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3fwc h LEU 29 CO -0.24 0.90 -0.37 0.50 -0.34 0.00 0.00 178.44 178.89 3fwc h LYS 30 N 0.49 -0.66 -0.95 1.25 3.64 0.91 -2.05 116.57 119.20 3fwc h LYS 30 Ca 0.09 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3fwc h LYS 30 Cb 0.59 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.44 3fwc h LYS 30 CO 0.04 -0.44 -0.51 0.00 -2.27 0.00 0.00 179.45 176.26 3fwc n ALA 31 N -2.69 -0.48 0.26 5.00 0.00 0.47 -0.84 120.51 122.23 3fwc n ALA 31 Ca -0.08 0.84 -0.16 0.00 0.00 0.00 0.00 53.44 54.04 3fwc n ALA 31 Cb 0.33 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.74 -0.39 0.00 3.08 -1.32 -1.92 114.38 113.09 3fwc h ARG 32 Ca 0.20 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.36 3fwc h ARG 32 Cb 0.44 0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.60 3fwc h ARG 32 CO -0.91 -0.49 0.04 -0.07 -1.07 0.00 0.00 179.97 177.47 3fwc h LEU 33 N -0.77 -0.07 -0.59 3.04 3.38 -0.55 -1.06 115.31 118.69 3fwc h LEU 33 Ca -0.04 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.12 3fwc h LEU 33 Cb 0.66 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 3fwc h LEU 33 CO -0.01 -0.00 0.10 0.25 0.09 0.00 0.00 178.44 178.87 3fwc h LEU 34 N 0.16 -0.05 -0.39 1.67 5.85 -0.81 0.21 115.31 121.94 3fwc h LEU 34 Ca 0.19 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3fwc h LEU 34 Cb 0.25 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3fwc h LEU 34 CO -0.28 -0.01 -0.05 1.56 -0.34 0.00 0.00 178.44 179.31 3fwc h GLN 35 N 0.23 0.73 -0.09 1.25 4.20 -0.48 -2.25 115.11 118.69 3fwc h GLN 35 Ca 0.31 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fwc h GLN 35 Cb 0.46 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3fwc h GLN 35 CO -0.41 0.85 0.00 0.39 -0.67 0.00 0.00 178.83 178.98 3fwc n GLU 36 N -4.39 0.67 -0.66 1.46 1.02 -0.50 -4.77 120.64 113.48 3fwc n GLU 36 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3fwc n GLU 36 Cb 0.33 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.17 1.02 0.31 0.62 0.00 -0.84 -4.86 105.19 101.60 3fwc n GLY 37 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 0.67 -0.63 1.61 7.01 -0.77 0.59 115.95 124.44 3fwc h TRP 38 Ca 0.00 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3fwc h TRP 38 Cb 0.00 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 3fwc h TRP 38 CO 0.00 0.05 0.30 0.28 -2.79 0.00 0.00 178.44 176.28 3fwc h VAL 39 N 0.49 1.20 -0.03 2.65 2.07 -1.74 0.16 116.25 121.05 3fwc h VAL 39 Ca 0.50 -0.57 -0.19 0.00 0.82 0.00 0.00 66.70 67.26 3fwc h VAL 39 Cb 0.85 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3fwc h VAL 39 CO -0.45 0.24 -0.73 0.44 0.02 0.00 0.00 177.57 177.09 3fwc h ASP 40 N 0.89 0.70 -0.59 0.57 5.19 -0.63 0.17 116.42 122.71 3fwc h ASP 40 Ca 0.22 -0.72 -0.03 0.00 -0.62 0.00 0.00 57.03 55.88 3fwc h ASP 40 Cb 0.09 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 3fwc h ASP 40 CO -0.03 1.32 0.25 0.11 -3.12 0.00 0.00 179.24 177.78 3fwc h LYS 41 N 0.15 0.88 0.01 3.56 1.57 0.15 0.25 116.57 123.14 3fwc h LYS 41 Ca -0.08 -0.15 -0.24 0.00 -1.87 0.00 0.00 60.65 58.31 3fwc h LYS 41 Cb 1.40 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.53 3fwc h LYS 41 CO 0.15 0.74 -1.26 0.28 -0.57 0.00 0.00 179.45 178.78 3fwc h VAL 42 N 0.82 1.41 -0.19 0.50 2.07 -0.74 0.21 116.25 120.33 3fwc h VAL 42 Ca 0.20 -3.15 -0.15 0.00 0.82 0.00 0.00 66.70 64.42 3fwc h VAL 42 Cb 0.17 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3fwc h VAL 42 CO -0.02 0.82 -0.49 0.50 0.02 0.00 0.00 177.57 178.39 3fwc h LYS 43 N 0.01 0.50 -0.08 1.57 3.64 -0.57 0.45 116.57 122.09 3fwc h LYS 43 Ca -0.11 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3fwc h LYS 43 Cb 1.87 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 3fwc h LYS 43 CO 0.12 0.88 -0.06 0.22 -2.27 0.00 0.00 179.45 178.34 3fwc h ASP 44 N 0.40 0.19 0.15 4.20 3.58 -0.41 0.20 116.42 124.72 3fwc h ASP 44 Ca 0.02 -0.45 -0.15 0.00 0.42 0.00 0.00 57.03 56.87 3fwc h ASP 44 Cb 1.01 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 3fwc h ASP 44 CO 0.09 0.60 -0.57 -0.07 -2.88 0.00 0.00 179.24 176.41 3fwc h LEU 45 N -0.21 0.49 0.19 2.28 3.38 -0.49 0.25 115.31 121.20 3fwc h LEU 45 Ca 0.02 -0.27 -0.32 0.00 0.09 0.00 0.00 57.88 57.40 3fwc h LEU 45 Cb 0.53 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.17 3fwc h LEU 45 CO 0.02 0.95 -1.38 0.74 0.09 0.00 0.00 178.44 178.86 3fwc h THR 46 N 0.33 1.33 0.00 0.22 2.02 -0.12 -0.16 112.91 116.54 3fwc h THR 46 Ca 0.00 -2.72 -0.03 0.00 0.77 0.00 0.00 66.41 64.43 3fwc h THR 46 Cb 1.09 2.94 -0.00 0.00 -1.74 0.00 0.00 68.15 70.44 3fwc h THR 46 CO 0.10 0.81 -0.15 0.50 0.37 0.00 0.00 175.52 177.16 3fwc h LYS 47 N 0.16 0.00 0.07 6.66 3.64 -0.54 0.17 116.57 126.72 3fwc h LYS 47 Ca -0.21 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3fwc h LYS 47 Cb 2.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 3fwc h LYS 47 CO 0.25 0.15 -0.03 1.03 -2.27 0.00 0.00 179.45 178.58 3fwc h SER 48 N 0.00 -0.08 0.12 4.20 0.87 -0.38 -3.12 113.55 115.16 3fwc h SER 48 Ca -0.00 -0.55 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 3fwc h SER 48 Cb 0.70 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 3fwc h SER 48 CO 0.02 0.60 -0.03 -0.08 -0.53 0.00 0.00 176.83 176.81 3fwc h GLU 49 N -0.85 0.00 0.00 2.24 4.57 -0.85 -3.23 114.58 116.47 3fwc h GLU 49 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3fwc h GLU 49 Cb 0.62 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 3fwc h GLU 49 CO 0.01 0.03 -0.00 0.52 -1.18 0.00 0.00 179.01 178.39 3fwc h MET 50 N 0.00 0.00 -6.67 1.92 2.86 -0.59 -3.46 114.93 108.99 3fwc h MET 50 Ca -0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 3fwc h MET 50 Cb 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3fwc h MET 50 CO 0.00 0.00 0.12 0.54 1.06 0.00 0.00 176.91 178.63 3fwc s ASN 51 N -5.68 6.94 -1.41 1.22 4.22 -1.22 -4.36 114.94 114.65 3fwc s ASN 51 Ca -0.05 1.38 -0.17 0.00 -2.14 0.00 0.00 52.86 51.88 3fwc s ASN 51 Cb 0.14 -2.41 0.16 0.00 1.28 0.00 0.00 41.25 40.43 3fwc s ASN 51 CO 0.48 -0.09 0.48 0.00 -2.04 0.00 0.00 177.10 175.93 3fwc n ILE 52 N 0.19 -0.20 -1.04 0.54 3.06 -1.26 -4.47 119.36 116.17 3fwc n ILE 52 Ca 0.01 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.28 3fwc n ILE 52 Cb 0.52 -0.65 0.30 0.00 0.54 0.00 0.00 39.64 40.36 3fwc n ILE 52 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 3fwc n ASN 53 N -2.26 4.45 0.00 9.51 5.15 -1.26 -4.70 115.26 126.15 3fwc n ASN 53 Ca 0.08 -3.14 0.00 0.00 -0.60 0.00 0.00 54.58 50.92 3fwc n ASN 53 Cb 0.47 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 3fwc n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3fwc n GLU 54 N -0.22 -0.60 -3.68 1.20 2.13 -1.26 -4.23 120.64 113.97 3fwc n GLU 54 Ca 0.30 0.15 -0.31 0.00 0.66 0.00 0.00 57.16 57.96 3fwc n GLU 54 Cb 1.13 -3.64 0.04 0.00 0.27 0.00 0.00 31.44 29.23 3fwc n GLU 54 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3fwc n SER 55 N -0.30 -5.37 -4.64 4.31 7.64 -1.26 -4.86 113.62 109.14 3fwc n SER 55 Ca 0.00 -0.99 -0.29 0.00 1.01 0.00 0.00 58.87 58.60 3fwc n SER 55 Cb 0.15 -3.28 0.18 0.00 -1.01 0.00 0.00 64.21 60.26 3fwc n SER 55 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3fwc s THR 56 N -3.42 2.28 0.56 0.44 -1.32 -1.26 -4.85 115.64 108.07 3fwc s THR 56 Ca 0.43 0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.83 3fwc s THR 56 Cb -0.16 -2.39 -0.10 0.00 -1.51 0.00 0.00 72.50 68.33 3fwc s THR 56 CO 0.86 -0.12 0.32 0.59 -2.21 0.00 0.00 174.62 174.06 3fwc n ASN 57 N -4.30 -1.89 -0.30 8.08 4.13 -1.26 -4.44 115.26 115.28 3fwc n ASN 57 Ca 0.06 0.70 0.18 0.00 1.68 0.00 0.00 54.58 57.20 3fwc n ASN 57 Cb 0.55 -1.07 0.35 0.00 -1.54 0.00 0.00 39.78 38.06 3fwc n ASN 57 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3fwc n PHE 58 N -1.69 0.72 -0.19 3.10 7.35 -1.26 0.59 117.46 126.09 3fwc n PHE 58 Ca 0.10 1.08 -0.00 0.00 -0.76 0.00 0.00 57.45 57.87 3fwc n PHE 58 Cb 0.48 -1.27 0.09 0.00 0.35 0.00 0.00 39.48 39.12 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 0.52 -0.23 -2.13 1.35 -1.98 0.32 112.91 110.76 3fwc h THR 59 Ca 0.61 -0.04 0.06 0.00 -0.55 0.00 0.00 66.41 66.49 3fwc h THR 59 Cb 1.41 0.40 -0.07 0.00 -1.73 0.00 0.00 68.15 68.16 3fwc h THR 59 CO -0.80 0.02 -0.25 -0.61 -0.25 0.00 0.00 175.52 173.64 3fwc h GLN 60 N 0.12 -0.25 -0.31 4.72 -0.00 -0.09 0.61 115.11 119.90 3fwc h GLN 60 Ca 0.30 0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.85 3fwc h GLN 60 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 3fwc h GLN 60 CO -0.50 -0.17 -0.29 0.82 0.00 0.00 0.00 178.83 178.69 3fwc h ILE 61 N -0.26 1.28 0.75 2.39 2.04 -1.45 -2.83 117.51 119.43 3fwc h ILE 61 Ca 0.13 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 3fwc h ILE 61 Cb 0.46 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3fwc h ILE 61 CO -0.38 0.46 -0.46 0.25 0.00 0.00 0.00 178.15 178.01 3fwc h LEU 62 N 0.56 -1.17 -0.99 1.44 5.85 0.51 -0.49 115.31 121.03 3fwc h LEU 62 Ca 0.07 0.06 0.35 0.00 0.84 0.00 0.00 57.88 59.21 3fwc h LEU 62 Cb 0.79 0.34 -0.17 0.00 0.37 0.00 0.00 40.66 41.99 3fwc h LEU 62 CO 0.06 -0.71 0.40 -1.28 -0.34 0.00 0.00 178.44 176.58 3fwc h SER 63 N -1.14 0.15 0.00 1.25 0.87 0.18 0.48 113.55 115.34 3fwc h SER 63 Ca -0.10 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3fwc h SER 63 Cb 0.91 0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3fwc h SER 63 CO 0.10 -0.34 -0.15 0.74 -0.53 0.00 0.00 176.83 176.65 3fwc h THR 64 N 0.08 1.51 -0.14 2.23 2.02 -1.13 -3.40 112.91 114.08 3fwc h THR 64 Ca 0.75 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.73 3fwc h THR 64 Cb 1.81 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 71.13 3fwc h THR 64 CO -0.76 0.51 0.00 1.33 0.37 0.00 0.00 175.52 176.97 3fwc n VAL 65 N -4.60 0.22 0.22 3.16 0.24 -0.25 -4.57 118.33 112.75 3fwc n VAL 65 Ca -0.12 -0.61 -0.14 0.00 -2.04 0.00 0.00 64.34 61.43 3fwc n VAL 65 Cb 0.46 1.18 -0.08 0.00 -1.47 0.00 0.00 33.84 33.92 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 3.40 -0.55 -0.47 7.34 4.81 -1.06 -1.37 114.58 126.67 3fwc h GLU 66 Ca 0.00 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 3fwc h GLU 66 Cb 0.76 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.18 3fwc h GLU 66 CO 0.00 -0.26 -0.09 -1.00 -0.73 0.00 0.00 179.01 176.93 3fwc h PRO 67 N -0.80 0.02 -0.84 0.92 0.13 -1.80 0.13 132.00 129.76 3fwc h PRO 67 Ca -0.06 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.18 3fwc h PRO 67 Cb 0.54 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.59 3fwc h PRO 67 CO 0.10 0.02 0.47 0.87 -0.23 0.00 0.00 178.00 179.22 3fwc h LYS 68 N 0.02 0.73 0.02 0.86 1.57 -1.81 -1.97 116.57 115.98 3fwc h LYS 68 Ca 0.23 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3fwc h LYS 68 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fwc h LYS 68 CO -0.47 0.48 -0.01 0.00 -0.57 0.00 0.00 179.45 178.89 3fwc h ALA 69 N 1.49 -0.02 -0.67 3.86 0.00 0.30 -3.01 119.26 121.20 3fwc h ALA 69 Ca 0.42 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.38 3fwc h ALA 69 Cb 0.45 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 3fwc h ALA 69 CO -0.28 -0.44 -0.21 -0.07 0.00 0.00 0.00 179.25 178.25 3fwc h LEU 70 N -0.17 -0.76 -0.11 0.00 4.07 -0.09 -2.43 115.31 115.81 3fwc h LEU 70 Ca -0.00 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.16 3fwc h LEU 70 Cb 0.17 0.46 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 3fwc h LEU 70 CO 0.00 -0.25 0.01 -0.33 -1.08 0.00 0.00 178.44 176.80 3fwc h GLU 71 N -0.04 0.19 0.00 1.13 5.08 -1.47 -3.02 114.58 116.45 3fwc h GLU 71 Ca 0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3fwc h GLU 71 Cb 0.52 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3fwc h GLU 71 CO -0.71 0.40 0.20 0.52 -1.00 0.00 0.00 179.01 178.43 3fwc h MET 72 N -0.06 0.00 -6.42 2.33 2.86 -1.30 -3.41 114.93 108.93 3fwc h MET 72 Ca 0.03 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.05 3fwc h MET 72 Cb 0.31 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.05 3fwc h MET 72 CO 0.00 0.00 0.39 1.55 1.06 0.00 0.00 176.91 179.92 3fwc n VAL 73 N -2.70 0.89 -1.67 -2.22 3.14 -1.14 -4.79 118.33 109.83 3fwc n VAL 73 Ca -0.02 -0.22 -0.44 0.00 -2.96 0.00 0.00 64.34 60.70 3fwc n VAL 73 Cb 0.25 -1.06 -0.04 0.00 -1.06 0.00 0.00 33.84 31.93 3fwc n VAL 73 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3fwc n SER 74 N 2.09 3.89 0.34 6.55 3.41 -1.26 -4.77 113.62 123.86 3fwc n SER 74 Ca 0.14 0.94 0.21 0.00 -0.26 0.00 0.00 58.87 59.90 3fwc n SER 74 Cb 0.27 -1.48 1.11 0.00 -0.26 0.00 0.00 64.21 63.85 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 9.68 0.00 -0.22 4.04 3.32 -1.87 -0.41 116.42 130.96 3fwc h ASP 75 Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 3fwc h ASP 75 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 3fwc h ASP 75 CO 0.94 0.00 -0.39 -1.28 -1.72 0.00 0.00 179.24 176.80 3fwc h SER 76 N 0.00 0.73 1.23 6.45 0.87 -2.00 -3.15 113.55 117.68 3fwc h SER 76 Ca 0.00 -0.53 -0.07 0.00 -1.23 0.00 0.00 61.79 59.96 3fwc h SER 76 Cb 0.19 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3fwc h SER 76 CO -0.00 1.12 -0.80 0.71 -0.53 0.00 0.00 176.83 177.33 3fwc h THR 77 N 0.36 0.34 -0.21 2.23 1.35 -1.58 -3.29 112.91 112.11 3fwc h THR 77 Ca 0.02 -1.56 0.05 0.00 -0.55 0.00 0.00 66.41 64.37 3fwc h THR 77 Cb 0.98 1.96 -0.05 0.00 -1.73 0.00 0.00 68.15 69.31 3fwc h THR 77 CO 0.09 0.19 -0.14 -0.09 -0.25 0.00 0.00 175.52 175.33 3fwc h ARG 78 N 0.00 -0.12 -0.18 4.72 2.43 -1.16 -2.20 114.38 117.86 3fwc h ARG 78 Ca -0.05 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3fwc h ARG 78 Cb 1.25 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 3fwc h ARG 78 CO 0.03 -0.08 -0.06 0.93 -1.51 0.00 0.00 179.97 179.28 3fwc h GLU 79 N -0.13 -0.02 -0.65 0.20 4.39 -1.62 -1.21 114.58 115.55 3fwc h GLU 79 Ca 0.12 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.88 3fwc h GLU 79 Cb 0.31 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 3fwc h GLU 79 CO -0.29 -0.01 0.43 1.79 -1.16 0.00 0.00 179.01 179.77 3fwc h THR 80 N -0.02 1.03 -0.03 1.13 1.35 -1.58 0.44 112.91 115.23 3fwc h THR 80 Ca 0.09 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 3fwc h THR 80 Cb 0.16 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 66.86 3fwc h THR 80 CO -0.20 0.13 -0.03 0.58 -0.25 0.00 0.00 175.52 175.75 3fwc h VAL 81 N 0.69 1.39 -0.43 6.82 2.07 -0.74 -2.09 116.25 123.95 3fwc h VAL 81 Ca 0.28 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 3fwc h VAL 81 Cb 0.22 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3fwc h VAL 81 CO -0.08 0.32 0.26 -0.07 0.02 0.00 0.00 177.57 178.01 3fwc h LEU 82 N -0.40 0.51 -1.02 2.57 4.07 -0.72 -1.45 115.31 118.87 3fwc h LEU 82 Ca 0.00 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.84 3fwc h LEU 82 Cb 0.54 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 3fwc h LEU 82 CO 0.01 0.39 -0.48 0.50 -1.08 0.00 0.00 178.44 177.78 3fwc h LYS 83 N 0.59 0.00 0.02 1.13 3.64 -0.01 0.25 116.57 122.19 3fwc h LYS 83 Ca 0.16 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.28 3fwc h LYS 83 Cb -0.02 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3fwc h LYS 83 CO -0.03 0.48 -1.35 1.96 -2.27 0.00 0.00 179.45 178.24 3fwc h GLN 84 N 0.00 0.05 0.15 1.90 4.20 -0.92 0.76 115.11 121.26 3fwc h GLN 84 Ca -0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3fwc h GLN 84 Cb 0.87 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3fwc h GLN 84 CO 0.06 0.85 -0.07 0.82 -0.67 0.00 0.00 178.83 179.82 3fwc h ILE 85 N 0.01 0.96 -0.66 2.54 2.04 -1.10 0.24 117.51 121.54 3fwc h ILE 85 Ca -0.15 -1.07 0.07 0.00 1.00 0.00 0.00 64.86 64.71 3fwc h ILE 85 Cb 1.90 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 39.47 3fwc h ILE 85 CO 0.12 0.23 0.34 -0.09 0.00 0.00 0.00 178.15 178.74 3fwc h ARG 86 N -0.77 0.59 -0.25 2.37 2.43 -0.63 0.35 114.38 118.47 3fwc h ARG 86 Ca -0.02 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3fwc h ARG 86 Cb 0.53 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 3fwc h ARG 86 CO 0.03 0.39 -0.06 1.49 -1.51 0.00 0.00 179.97 180.31 3fwc h GLU 87 N 0.61 0.00 0.81 0.20 4.81 -0.78 0.91 114.58 121.14 3fwc h GLU 87 Ca 0.31 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3fwc h GLU 87 Cb 0.27 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.66 3fwc h GLU 87 CO -0.22 0.00 -0.39 0.35 -0.73 0.00 0.00 179.01 178.02 3fwc h PHE 88 N 0.00 -1.00 -0.83 0.92 3.57 0.14 -2.90 116.94 116.84 3fwc h PHE 88 Ca 0.12 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.80 3fwc h PHE 88 Cb 0.18 0.33 -0.13 0.00 2.79 0.00 0.00 35.95 39.13 3fwc h PHE 88 CO -0.25 -0.62 0.24 -0.07 -2.23 0.00 0.00 178.31 175.37 3fwc h LEU 89 N -1.12 0.05 -1.50 0.59 3.38 -0.32 -1.68 115.31 114.71 3fwc h LEU 89 Ca -0.11 0.17 0.11 0.00 0.09 0.00 0.00 57.88 58.14 3fwc h LEU 89 Cb 0.83 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 3fwc h LEU 89 CO 0.18 -0.09 0.47 -0.08 0.09 0.00 0.00 178.44 179.02 3fwc h GLU 90 N 0.26 0.52 -0.31 1.13 4.81 -0.61 -2.02 114.58 118.37 3fwc h GLU 90 Ca 0.50 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.59 3fwc h GLU 90 Cb 0.94 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3fwc h GLU 90 CO -0.58 0.35 -0.27 0.93 -0.73 0.00 0.00 179.01 178.71 3fwc h GLU 91 N 0.54 0.61 0.02 1.92 5.08 -1.19 -3.33 114.58 118.24 3fwc h GLU 91 Ca 0.34 -0.25 -0.25 0.00 -1.00 0.00 0.00 59.36 58.20 3fwc h GLU 91 Cb 0.59 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.82 3fwc h GLU 91 CO -0.11 0.82 -1.02 0.82 -1.00 0.00 0.00 179.01 178.51 3fwc h ILE 92 N 0.53 1.37 0.04 3.13 5.03 -1.42 -3.42 117.51 122.77 3fwc h ILE 92 Ca 0.07 -2.45 -0.00 0.00 -0.12 0.00 0.00 64.86 62.36 3fwc h ILE 92 Cb 0.74 2.48 0.00 0.00 -3.03 0.00 0.00 36.82 37.01 3fwc h ILE 92 CO 0.06 0.74 -0.02 -0.37 -0.68 0.00 0.00 178.15 177.88 3fwc h VAL 93 N 0.26 1.38 0.00 1.67 -1.51 -1.66 -3.53 116.25 112.87 3fwc h VAL 93 Ca -0.11 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 3fwc h VAL 93 Cb 1.67 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 33.22 3fwc h VAL 93 CO 0.18 0.38 0.00 0.47 -1.23 0.00 0.00 177.57 177.38