#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc n ASP 4 N 0.00 0.85 0.00 6.12 5.68 -1.26 -4.87 116.55 123.07 3fwc n ASP 4 Ca 0.00 -1.74 -0.09 0.00 -0.50 0.00 0.00 54.79 52.45 3fwc n ASP 4 Cb 0.00 -0.47 -0.03 0.00 -1.14 0.00 0.00 41.12 39.48 3fwc n ASP 4 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3fwc h THR 5 N -0.63 0.58 -0.05 2.12 2.02 -2.05 -1.48 112.91 113.42 3fwc h THR 5 Ca -0.23 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3fwc h THR 5 Cb 0.84 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3fwc h THR 5 CO 0.24 0.00 0.01 0.00 0.37 0.00 0.00 175.52 176.15 3fwc h ALA 6 N 0.85 0.05 -0.61 6.16 0.00 -1.99 -0.18 119.26 123.55 3fwc h ALA 6 Ca 0.09 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3fwc h ALA 6 Cb 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3fwc h ALA 6 CO -0.24 -0.46 0.41 1.96 0.00 0.00 0.00 179.25 180.91 3fwc h GLN 7 N 0.04 0.46 0.14 0.00 1.08 -1.89 -1.63 115.11 113.31 3fwc h GLN 7 Ca 0.02 -0.03 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 3fwc h GLN 7 Cb 0.01 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3fwc h GLN 7 CO -0.03 0.31 -1.30 1.25 -0.95 0.00 0.00 178.83 178.11 3fwc h LEU 8 N 0.48 0.47 -0.74 1.46 5.85 -0.57 -1.64 115.31 120.62 3fwc h LEU 8 Ca 0.28 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3fwc h LEU 8 Cb 0.46 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3fwc h LEU 8 CO -0.08 1.41 0.45 0.50 -0.34 0.00 0.00 178.44 180.38 3fwc h LYS 9 N 0.08 1.00 -0.47 1.25 3.64 -0.66 -1.01 116.57 120.41 3fwc h LYS 9 Ca -0.16 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 3fwc h LYS 9 Cb 2.00 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.59 3fwc h LYS 9 CO 0.21 0.70 -0.11 0.77 -2.27 0.00 0.00 179.45 178.75 3fwc h SER 10 N 1.01 0.86 -0.44 4.20 0.02 -1.29 -1.61 113.55 116.30 3fwc h SER 10 Ca 0.27 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3fwc h SER 10 Cb -0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 3fwc h SER 10 CO -0.05 0.98 0.10 -0.61 -1.14 0.00 0.00 176.83 176.11 3fwc h GLN 11 N 0.78 0.71 -0.36 3.45 4.15 -0.98 -0.97 115.11 121.88 3fwc h GLN 11 Ca 0.13 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 3fwc h GLN 11 Cb 0.62 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3fwc h GLN 11 CO 0.04 0.72 -0.17 0.82 -1.93 0.00 0.00 178.83 178.31 3fwc h ILE 12 N 0.58 1.28 -0.77 2.39 2.04 -1.03 -1.80 117.51 120.20 3fwc h ILE 12 Ca 0.14 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.76 3fwc h ILE 12 Cb 0.33 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 3fwc h ILE 12 CO 0.00 0.42 0.46 1.56 0.00 0.00 0.00 178.15 180.60 3fwc h GLN 13 N 0.55 0.84 -0.86 2.37 4.20 -1.23 0.62 115.11 121.59 3fwc h GLN 13 Ca 0.08 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.79 3fwc h GLN 13 Cb 0.71 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 3fwc h GLN 13 CO 0.05 0.55 0.55 0.37 -0.67 0.00 0.00 178.83 179.68 3fwc h GLN 14 N 0.86 1.00 0.04 1.46 5.75 -0.78 0.14 115.11 123.58 3fwc h GLN 14 Ca 0.33 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3fwc h GLN 14 Cb 0.14 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.46 3fwc h GLN 14 CO -0.16 0.66 -0.02 1.88 -2.65 0.00 0.00 178.83 178.54 3fwc h TYR 15 N 1.03 -0.05 -0.65 3.99 0.05 -0.47 -2.17 116.97 118.69 3fwc h TYR 15 Ca 0.36 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 59.27 3fwc h TYR 15 Cb 0.08 0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 3fwc h TYR 15 CO -0.03 0.18 0.44 1.25 -1.05 0.00 0.00 178.16 178.96 3fwc h LEU 16 N -0.28 0.29 0.04 3.88 5.85 -0.24 -0.99 115.31 123.86 3fwc h LEU 16 Ca -0.01 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 3fwc h LEU 16 Cb 0.26 -0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fwc h LEU 16 CO 0.01 0.16 -0.76 0.58 -0.34 0.00 0.00 178.44 178.09 3fwc h VAL 17 N 0.31 1.41 -0.02 1.05 2.07 -0.86 -0.44 116.25 119.78 3fwc h VAL 17 Ca 0.31 -2.22 -0.07 0.00 0.82 0.00 0.00 66.70 65.54 3fwc h VAL 17 Cb 0.80 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 3fwc h VAL 17 CO -0.08 0.65 -0.31 -0.33 0.02 0.00 0.00 177.57 177.53 3fwc h GLU 18 N -0.06 0.04 0.00 1.57 5.08 -0.61 -2.48 114.58 118.12 3fwc h GLU 18 Ca -0.11 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3fwc h GLU 18 Cb 1.48 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3fwc h GLU 18 CO 0.15 0.34 -0.19 0.77 -1.00 0.00 0.00 179.01 179.08 3fwc h SER 19 N 0.03 0.00 0.00 1.42 0.02 -1.33 -3.46 113.55 110.24 3fwc h SER 19 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fwc h SER 19 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 3fwc h SER 19 CO 0.04 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.53 3fwc n GLY 20 N -0.31 0.91 0.26 -3.77 0.00 -0.93 -4.96 105.19 96.39 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 0.86 -0.64 1.61 4.21 -1.74 -2.56 115.58 117.31 3fwc h ASN 21 Ca 0.00 -0.34 0.09 0.00 1.21 0.00 0.00 56.30 57.27 3fwc h ASN 21 Cb 0.00 -0.24 -0.07 0.00 -1.12 0.00 0.00 38.32 36.89 3fwc h ASN 21 CO 0.00 1.08 0.28 0.22 -1.29 0.00 0.00 177.43 177.71 3fwc h TYR 22 N 0.71 0.49 -0.17 1.19 3.20 -1.36 0.00 116.97 121.03 3fwc h TYR 22 Ca 0.09 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3fwc h TYR 22 Cb 0.81 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3fwc h TYR 22 CO 0.05 0.15 0.01 1.49 -1.64 0.00 0.00 178.16 178.22 3fwc h GLU 23 N 0.49 0.30 -0.25 1.82 4.57 -1.80 -2.29 114.58 117.41 3fwc h GLU 23 Ca 0.32 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3fwc h GLU 23 Cb 0.37 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3fwc h GLU 23 CO -0.29 0.50 0.13 -0.07 -1.18 0.00 0.00 179.01 178.10 3fwc h LEU 24 N 0.06 0.32 -0.68 1.64 3.38 -1.01 -1.28 115.31 117.74 3fwc h LEU 24 Ca 0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3fwc h LEU 24 Cb 0.36 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3fwc h LEU 24 CO 0.01 0.34 0.44 0.40 0.09 0.00 0.00 178.44 179.71 3fwc h ILE 25 N 0.29 1.14 -0.72 1.22 2.04 -1.05 -0.44 117.51 119.98 3fwc h ILE 25 Ca 0.09 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3fwc h ILE 25 Cb 0.09 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 3fwc h ILE 25 CO -0.01 0.16 0.32 0.28 0.00 0.00 0.00 178.15 178.89 3fwc h SER 26 N 0.88 0.96 0.12 1.72 0.02 -1.06 -0.78 113.55 115.41 3fwc h SER 26 Ca 0.26 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 3fwc h SER 26 Cb -0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 3fwc h SER 26 CO -0.08 0.85 -0.44 0.78 -1.14 0.00 0.00 176.83 176.80 3fwc h ASN 27 N 1.02 0.43 0.22 3.07 2.35 -0.92 -0.85 115.58 120.89 3fwc h ASN 27 Ca 0.24 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3fwc h ASN 27 Cb 0.16 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3fwc h ASN 27 CO -0.03 0.82 -0.40 -0.33 -1.65 0.00 0.00 177.43 175.84 3fwc h GLU 28 N 0.33 -0.64 -0.08 0.81 4.39 -0.53 -2.11 114.58 116.75 3fwc h GLU 28 Ca 0.02 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3fwc h GLU 28 Cb 0.91 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3fwc h GLU 28 CO 0.08 -0.43 -0.08 1.25 -1.16 0.00 0.00 179.01 178.67 3fwc h LEU 29 N -0.67 -0.28 -1.00 1.33 5.85 -0.89 -0.06 115.31 119.61 3fwc h LEU 29 Ca -0.02 0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.97 3fwc h LEU 29 Cb 0.62 0.12 -0.19 0.00 0.37 0.00 0.00 40.66 41.58 3fwc h LEU 29 CO -0.15 -0.05 -0.14 0.29 -0.34 0.00 0.00 178.44 178.05 3fwc n LYS 30 N -3.15 -0.09 -0.14 1.25 5.02 -0.35 -0.03 118.16 120.68 3fwc n LYS 30 Ca -0.00 1.53 -0.10 0.00 -2.02 0.00 0.00 58.31 57.72 3fwc n LYS 30 Cb 0.05 -2.34 -0.01 0.00 -0.02 0.00 0.00 35.03 32.70 3fwc n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fwc h ALA 31 N 1.99 0.53 -0.69 7.82 0.00 -0.56 -0.44 119.26 127.91 3fwc h ALA 31 Ca 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fwc h ALA 31 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3fwc h ALA 31 CO -0.99 0.24 0.42 -0.09 0.00 0.00 0.00 179.25 178.84 3fwc h ARG 32 N 0.51 0.93 -0.75 0.00 2.43 0.14 -0.43 114.38 117.22 3fwc h ARG 32 Ca 0.12 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3fwc h ARG 32 Cb 0.36 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3fwc h ARG 32 CO 0.01 0.66 0.40 -0.07 -1.51 0.00 0.00 179.97 179.45 3fwc h LEU 33 N 0.94 0.93 -0.79 3.80 3.38 -0.47 -1.01 115.31 122.09 3fwc h LEU 33 Ca 0.25 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 3fwc h LEU 33 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3fwc h LEU 33 CO -0.05 0.76 -0.40 0.25 0.09 0.00 0.00 178.44 179.09 3fwc h LEU 34 N 1.04 0.46 -0.45 1.67 5.85 -0.67 -0.15 115.31 123.06 3fwc h LEU 34 Ca 0.26 -0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.61 3fwc h LEU 34 Cb 0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3fwc h LEU 34 CO -0.04 0.81 -0.71 1.56 -0.34 0.00 0.00 178.44 179.72 3fwc h GLN 35 N 0.36 0.37 -0.76 1.25 4.20 0.08 -2.96 115.11 117.66 3fwc h GLN 35 Ca 0.03 -0.29 -0.19 0.00 0.06 0.00 0.00 58.65 58.26 3fwc h GLN 35 Cb 0.86 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.58 3fwc h GLN 35 CO 0.07 0.93 0.25 -0.85 -0.67 0.00 0.00 178.83 178.56 3fwc n GLU 36 N -3.84 3.70 -3.27 1.46 0.28 -0.50 -4.93 120.64 113.54 3fwc n GLU 36 Ca -0.04 -2.92 -0.24 0.00 -0.16 0.00 0.00 57.16 53.80 3fwc n GLU 36 Cb 0.69 -2.18 0.04 0.00 1.43 0.00 0.00 31.44 31.42 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 -0.06 -0.52 0.21 -1.84 0.00 -1.12 -4.89 105.19 96.98 3fwc n GLY 37 Ca 0.38 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.66 0.98 -0.34 1.61 7.01 -1.27 -2.42 115.95 119.86 3fwc h TRP 38 Ca -0.53 -0.41 -0.02 0.00 2.11 0.00 0.00 58.89 60.04 3fwc h TRP 38 Cb 1.36 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 3fwc h TRP 38 CO 0.55 1.22 0.11 0.28 -2.79 0.00 0.00 178.44 177.82 3fwc h VAL 39 N 0.46 1.15 -0.03 2.65 2.07 -1.88 0.30 116.25 120.97 3fwc h VAL 39 Ca -0.03 -0.48 -0.22 0.00 0.82 0.00 0.00 66.70 66.79 3fwc h VAL 39 Cb 1.26 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3fwc h VAL 39 CO 0.13 0.18 -0.89 0.44 0.02 0.00 0.00 177.57 177.45 3fwc h ASP 40 N 0.48 0.56 0.00 0.57 3.45 -1.90 -1.76 116.42 117.83 3fwc h ASP 40 Ca 0.12 -0.43 -0.00 0.00 0.43 0.00 0.00 57.03 57.15 3fwc h ASP 40 Cb 0.14 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3fwc h ASP 40 CO -0.01 1.21 -0.00 0.11 -1.57 0.00 0.00 179.24 178.99 3fwc h LYS 41 N 0.27 -0.00 -0.03 3.56 1.57 -0.80 -0.84 116.57 120.29 3fwc h LYS 41 Ca -0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3fwc h LYS 41 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.82 3fwc h LYS 41 CO 0.16 0.15 -0.09 0.28 -0.57 0.00 0.00 179.45 179.38 3fwc h VAL 42 N -0.16 1.09 -0.48 0.50 2.07 -1.03 0.31 116.25 118.55 3fwc h VAL 42 Ca -0.00 -0.39 -0.11 0.00 0.82 0.00 0.00 66.70 67.01 3fwc h VAL 42 Cb 0.16 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3fwc h VAL 42 CO 0.00 0.12 -0.16 0.50 0.02 0.00 0.00 177.57 178.05 3fwc h LYS 43 N 0.05 0.93 0.43 1.57 3.64 -0.92 -0.81 116.57 121.46 3fwc h LYS 43 Ca 0.01 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 3fwc h LYS 43 Cb 0.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3fwc h LYS 43 CO 0.01 1.01 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.55 3fwc h ASP 44 N 0.82 -0.49 -1.00 4.20 3.45 -0.25 -2.38 116.42 120.77 3fwc h ASP 44 Ca 0.12 -0.07 0.16 0.00 0.43 0.00 0.00 57.03 57.67 3fwc h ASP 44 Cb 0.70 0.13 -0.10 0.00 -0.56 0.00 0.00 39.33 39.50 3fwc h ASP 44 CO 0.05 -0.21 0.62 0.25 -1.57 0.00 0.00 179.24 178.38 3fwc h LEU 45 N -0.77 0.82 -0.47 1.55 5.85 -0.85 0.78 115.31 122.21 3fwc h LEU 45 Ca -0.06 0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 3fwc h LEU 45 Cb 0.54 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3fwc h LEU 45 CO 0.10 0.35 -0.63 0.74 -0.34 0.00 0.00 178.44 178.66 3fwc h THR 46 N 0.83 1.34 -0.00 1.05 2.02 -1.11 -1.74 112.91 115.30 3fwc h THR 46 Ca 0.54 -1.95 -0.14 0.00 0.77 0.00 0.00 66.41 65.64 3fwc h THR 46 Cb 0.76 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 3fwc h THR 46 CO -0.33 0.59 -0.64 0.11 0.37 0.00 0.00 175.52 175.63 3fwc h LYS 47 N 0.36 0.01 0.17 6.66 1.57 -0.55 -1.62 116.57 123.17 3fwc h LYS 47 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3fwc h LYS 47 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3fwc h LYS 47 CO 0.11 0.65 -0.08 0.77 -0.57 0.00 0.00 179.45 180.33 3fwc h SER 48 N 0.01 -0.19 -0.56 0.86 0.02 -0.81 -2.90 113.55 109.97 3fwc h SER 48 Ca -0.01 -0.28 0.10 0.00 -0.84 0.00 0.00 61.79 60.77 3fwc h SER 48 Cb 1.13 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 3fwc h SER 48 CO 0.08 0.37 0.09 -0.33 -1.14 0.00 0.00 176.83 175.90 3fwc h GLU 49 N -0.95 0.21 -0.42 3.45 4.39 -1.41 0.29 114.58 120.15 3fwc h GLU 49 Ca -0.02 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.79 3fwc h GLU 49 Cb 0.46 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3fwc h GLU 49 CO 0.04 0.14 0.43 1.98 -1.16 0.00 0.00 179.01 180.44 3fwc h MET 50 N 0.22 0.00 0.03 2.33 4.05 -1.34 -2.95 114.93 117.27 3fwc h MET 50 Ca 0.29 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.39 3fwc h MET 50 Cb 0.43 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 3fwc h MET 50 CO -0.40 0.00 -1.76 0.09 0.23 0.00 0.00 176.91 175.07 3fwc n ASN 51 N -3.78 1.95 -0.36 1.39 3.02 0.93 -4.09 115.26 114.32 3fwc n ASN 51 Ca 0.07 0.32 -0.11 0.00 -0.03 0.00 0.00 54.58 54.83 3fwc n ASN 51 Cb 0.61 -0.88 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 3fwc n ASN 51 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fwc h ILE 52 N -0.69 0.00 -3.69 2.41 2.04 -1.09 -3.26 117.51 113.23 3fwc h ILE 52 Ca -0.45 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 64.75 3fwc h ILE 52 Cb 1.57 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 37.26 3fwc h ILE 52 CO -0.18 0.00 -0.74 0.54 0.00 0.00 0.00 178.15 177.78 3fwc s ASN 53 N -5.41 4.66 0.00 1.72 2.20 -1.25 -4.94 114.94 111.93 3fwc s ASN 53 Ca -0.12 -1.99 0.09 0.00 -0.94 0.00 0.00 52.86 49.89 3fwc s ASN 53 Cb 0.11 -1.57 0.51 0.00 -2.00 0.00 0.00 41.25 38.29 3fwc s ASN 53 CO 0.62 -0.35 0.93 1.21 -2.94 0.00 0.00 177.10 176.58 3fwc n GLU 54 N 4.32 0.43 0.01 3.55 2.13 -1.23 -2.75 120.64 127.09 3fwc n GLU 54 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 3fwc n GLU 54 Cb 0.42 -1.31 -0.14 0.00 0.27 0.00 0.00 31.44 30.68 3fwc n GLU 54 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3fwc h SER 55 N 0.00 0.21 -4.00 4.31 4.64 -1.92 -3.46 113.55 113.33 3fwc h SER 55 Ca 0.00 -0.41 -0.49 0.00 -0.47 0.00 0.00 61.79 60.42 3fwc h SER 55 Cb 0.00 -0.07 0.05 0.00 -0.31 0.00 0.00 62.40 62.07 3fwc h SER 55 CO 0.00 1.36 0.45 0.42 -0.87 0.00 0.00 176.83 178.18 3fwc s THR 56 N -2.59 3.37 0.43 2.95 -4.23 -1.11 -5.05 115.64 109.42 3fwc s THR 56 Ca -0.11 1.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.42 3fwc s THR 56 Cb 0.07 -3.49 -0.00 0.00 1.34 0.00 0.00 72.50 70.42 3fwc s THR 56 CO 0.81 -0.04 0.04 0.59 -0.54 0.00 0.00 174.62 175.48 3fwc n ASN 57 N -0.47 2.65 -0.25 3.99 4.13 -1.26 -4.83 115.26 119.21 3fwc n ASN 57 Ca 0.07 -3.00 0.02 0.00 1.68 0.00 0.00 54.58 53.35 3fwc n ASN 57 Cb 0.49 0.51 0.11 0.00 -1.54 0.00 0.00 39.78 39.35 3fwc n ASN 57 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3fwc h PHE 58 N 1.35 -0.29 0.15 3.10 3.57 -1.98 0.37 116.94 123.21 3fwc h PHE 58 Ca -0.35 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 3fwc h PHE 58 Cb 1.14 0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.12 3fwc h PHE 58 CO 0.00 -0.29 -0.07 1.15 -2.23 0.00 0.00 178.31 176.86 3fwc h THR 59 N 0.03 0.89 -0.92 4.41 2.02 -1.99 -1.20 112.91 116.14 3fwc h THR 59 Ca 0.37 -0.17 0.14 0.00 0.77 0.00 0.00 66.41 67.52 3fwc h THR 59 Cb 0.59 1.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 3fwc h THR 59 CO -0.73 0.04 0.59 1.56 0.37 0.00 0.00 175.52 177.36 3fwc h GLN 60 N -0.28 0.75 0.18 6.66 7.50 -0.85 -0.79 115.11 128.28 3fwc h GLN 60 Ca -0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 3fwc h GLN 60 Cb 0.22 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.59 3fwc h GLN 60 CO 0.03 0.50 -0.09 0.82 -1.50 0.00 0.00 178.83 178.60 3fwc h ILE 61 N 0.78 0.93 -0.78 2.54 1.08 -0.27 -3.02 117.51 118.76 3fwc h ILE 61 Ca 0.46 -0.77 0.14 0.00 -0.39 0.00 0.00 64.86 64.30 3fwc h ILE 61 Cb 0.66 1.38 -0.09 0.00 -3.07 0.00 0.00 36.82 35.70 3fwc h ILE 61 CO -0.23 0.17 0.36 0.25 -0.69 0.00 0.00 178.15 178.01 3fwc h LEU 62 N -0.64 0.40 -0.23 1.44 5.85 -0.85 -2.25 115.31 119.04 3fwc h LEU 62 Ca -0.02 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3fwc h LEU 62 Cb 0.47 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3fwc h LEU 62 CO 0.04 0.17 -0.07 0.28 -0.34 0.00 0.00 178.44 178.52 3fwc h SER 63 N 0.54 -0.25 -0.65 1.25 0.02 -1.12 -1.84 113.55 111.49 3fwc h SER 63 Ca 0.42 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.40 3fwc h SER 63 Cb 0.59 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 3fwc h SER 63 CO -0.37 -0.09 0.24 0.74 -1.14 0.00 0.00 176.83 176.21 3fwc h THR 64 N -0.02 1.24 0.05 -2.27 2.02 -1.31 -3.27 112.91 109.34 3fwc h THR 64 Ca 0.11 -0.80 -0.23 0.00 0.77 0.00 0.00 66.41 66.26 3fwc h THR 64 Cb 0.19 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3fwc h THR 64 CO -0.25 0.32 -1.03 0.58 0.37 0.00 0.00 175.52 175.51 3fwc h VAL 65 N 0.99 1.47 0.13 3.16 2.07 -0.91 -3.33 116.25 119.83 3fwc h VAL 65 Ca 0.23 -2.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 3fwc h VAL 65 Cb 0.24 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3fwc h VAL 65 CO -0.01 0.81 -0.07 -0.33 0.02 0.00 0.00 177.57 177.98 3fwc h GLU 66 N 0.13 -0.18 -0.86 1.57 5.08 -1.40 0.22 114.58 119.14 3fwc h GLU 66 Ca -0.09 0.01 0.24 0.00 -1.00 0.00 0.00 59.36 58.52 3fwc h GLU 66 Cb 1.70 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.95 3fwc h GLU 66 CO 0.17 -0.12 0.61 -1.00 -1.00 0.00 0.00 179.01 177.67 3fwc h PRO 67 N -0.18 0.10 0.00 2.33 0.13 -1.74 0.19 132.00 132.82 3fwc h PRO 67 Ca -0.02 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.97 3fwc h PRO 67 Cb 0.14 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 3fwc h PRO 67 CO 0.02 0.06 -0.68 0.87 -0.23 0.00 0.00 178.00 178.05 3fwc h LYS 68 N 0.10 0.00 -0.00 0.86 1.57 -1.58 -0.83 116.57 116.68 3fwc h LYS 68 Ca 0.42 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3fwc h LYS 68 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 3fwc h LYS 68 CO -0.05 0.68 -0.01 0.00 -0.57 0.00 0.00 179.45 179.49 3fwc h ALA 69 N 1.32 0.00 -0.71 3.86 0.00 0.24 -2.33 119.26 121.65 3fwc h ALA 69 Ca -0.01 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 54.67 3fwc h ALA 69 Cb 1.40 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 3fwc h ALA 69 CO 0.09 -0.13 0.27 1.25 0.00 0.00 0.00 179.25 180.73 3fwc h LEU 70 N -0.70 0.24 -0.91 0.00 5.85 -1.23 0.29 115.31 118.86 3fwc h LEU 70 Ca -0.00 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.94 3fwc h LEU 70 Cb 0.73 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 3fwc h LEU 70 CO 0.00 0.10 0.53 -0.08 -0.34 0.00 0.00 178.44 178.66 3fwc h GLU 71 N 0.42 0.82 -0.56 1.25 4.81 -1.15 -2.79 114.58 117.38 3fwc h GLU 71 Ca 0.38 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 3fwc h GLU 71 Cb 0.55 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3fwc h GLU 71 CO -0.38 0.54 0.12 0.52 -0.73 0.00 0.00 179.01 179.08 3fwc h MET 72 N 0.84 0.88 -6.23 1.92 2.86 0.15 -3.45 114.93 111.91 3fwc h MET 72 Ca 0.45 -0.19 -0.70 0.00 -2.06 0.00 0.00 59.70 57.20 3fwc h MET 72 Cb 0.48 -0.12 0.04 0.00 0.06 0.00 0.00 31.60 32.05 3fwc h MET 72 CO -0.28 0.80 0.65 0.28 1.06 0.00 0.00 176.91 179.42 3fwc n VAL 73 N -4.26 0.13 -1.97 -2.22 0.31 -1.03 -4.88 118.33 104.42 3fwc n VAL 73 Ca 0.04 -0.02 -0.39 0.00 -0.01 0.00 0.00 64.34 63.96 3fwc n VAL 73 Cb 0.24 -1.01 0.01 0.00 -0.91 0.00 0.00 33.84 32.17 3fwc n VAL 73 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3fwc s SER 74 N 1.75 5.85 0.42 4.52 1.04 -1.26 -4.90 113.70 121.13 3fwc s SER 74 Ca 0.90 2.64 0.15 0.00 0.48 0.00 0.00 55.95 60.12 3fwc s SER 74 Cb -0.99 -2.63 0.93 0.00 0.10 0.00 0.00 66.02 63.43 3fwc s SER 74 CO 0.54 -1.17 1.94 0.44 0.98 0.00 0.00 173.24 175.97 3fwc h ASP 75 N 2.05 0.00 -0.78 7.02 3.32 -1.96 -2.37 116.42 123.69 3fwc h ASP 75 Ca -0.50 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 3fwc h ASP 75 Cb 1.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 3fwc h ASP 75 CO 0.60 0.25 0.30 0.77 -1.72 0.00 0.00 179.24 179.44 3fwc h SER 76 N 0.00 1.09 -0.22 6.45 4.64 -2.00 -1.43 113.55 122.08 3fwc h SER 76 Ca -0.00 -0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 3fwc h SER 76 Cb 0.45 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3fwc h SER 76 CO 0.03 0.98 -0.03 0.74 -0.87 0.00 0.00 176.83 177.67 3fwc h THR 77 N 1.14 1.28 -0.66 2.95 2.02 -1.82 -2.61 112.91 115.21 3fwc h THR 77 Ca 0.26 -0.99 0.13 0.00 0.77 0.00 0.00 66.41 66.58 3fwc h THR 77 Cb 0.23 1.48 -0.09 0.00 -1.74 0.00 0.00 68.15 68.03 3fwc h THR 77 CO -0.02 0.31 0.16 0.03 0.37 0.00 0.00 175.52 176.37 3fwc h ARG 78 N 0.16 0.27 -0.89 6.66 3.08 -1.18 -0.03 114.38 122.45 3fwc h ARG 78 Ca 0.06 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3fwc h ARG 78 Cb 0.47 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 3fwc h ARG 78 CO 0.02 0.18 0.59 1.49 -1.07 0.00 0.00 179.97 181.18 3fwc h GLU 79 N 0.28 1.09 -0.61 0.04 4.22 -1.08 -0.95 114.58 117.56 3fwc h GLU 79 Ca 0.35 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.67 3fwc h GLU 79 Cb 0.55 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3fwc h GLU 79 CO -0.43 0.72 0.15 1.15 -2.18 0.00 0.00 179.01 178.42 3fwc h THR 80 N 1.12 1.25 -0.45 0.32 2.02 -0.64 0.22 112.91 116.75 3fwc h THR 80 Ca 0.35 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 3fwc h THR 80 Cb 0.01 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 3fwc h THR 80 CO -0.11 0.34 -0.07 0.58 0.37 0.00 0.00 175.52 176.64 3fwc h VAL 81 N 0.89 1.25 -0.11 3.16 2.07 -0.91 -2.81 116.25 119.79 3fwc h VAL 81 Ca 0.19 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.52 3fwc h VAL 81 Cb 0.35 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3fwc h VAL 81 CO 0.00 0.38 -0.26 0.25 0.02 0.00 0.00 177.57 177.97 3fwc h LEU 82 N 0.72 0.42 -0.89 2.57 5.85 -0.61 -2.78 115.31 120.59 3fwc h LEU 82 Ca 0.13 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3fwc h LEU 82 Cb 0.54 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3fwc h LEU 82 CO 0.03 0.92 0.57 0.50 -0.34 0.00 0.00 178.44 180.12 3fwc h LYS 83 N -0.06 1.04 -0.26 1.25 3.64 -0.60 -0.70 116.57 120.88 3fwc h LYS 83 Ca -0.00 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 3fwc h LYS 83 Cb 0.86 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 3fwc h LYS 83 CO 0.06 0.69 -0.31 1.96 -2.27 0.00 0.00 179.45 179.58 3fwc h GLN 84 N 1.08 0.54 -0.15 1.90 4.20 -1.49 -0.38 115.11 120.81 3fwc h GLN 84 Ca 0.37 -0.23 -0.23 0.00 0.06 0.00 0.00 58.65 58.63 3fwc h GLN 84 Cb 0.08 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.86 3fwc h GLN 84 CO -0.14 0.78 -0.80 0.82 -0.67 0.00 0.00 178.83 178.82 3fwc h ILE 85 N 0.46 1.27 -0.20 2.54 2.04 -1.12 -1.93 117.51 120.57 3fwc h ILE 85 Ca 0.06 -1.99 -0.07 0.00 1.00 0.00 0.00 64.86 63.86 3fwc h ILE 85 Cb 0.76 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 3fwc h ILE 85 CO 0.06 0.63 -0.20 0.03 0.00 0.00 0.00 178.15 178.68 3fwc h ARG 86 N 0.54 0.36 -0.31 2.37 3.08 -1.03 -1.45 114.38 117.94 3fwc h ARG 86 Ca -0.06 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 3fwc h ARG 86 Cb 1.43 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 3fwc h ARG 86 CO 0.16 0.54 -0.17 0.93 -1.07 0.00 0.00 179.97 180.37 3fwc h GLU 87 N 0.33 0.55 -0.08 0.04 5.08 -0.95 -1.39 114.58 118.15 3fwc h GLU 87 Ca 0.06 -0.18 -0.18 0.00 -1.00 0.00 0.00 59.36 58.05 3fwc h GLU 87 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3fwc h GLU 87 CO 0.04 0.70 -0.72 0.35 -1.00 0.00 0.00 179.01 178.38 3fwc h PHE 88 N 0.50 0.53 -0.53 4.33 3.57 -0.92 -2.94 116.94 121.48 3fwc h PHE 88 Ca 0.08 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 3fwc h PHE 88 Cb 0.58 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3fwc h PHE 88 CO 0.02 0.98 0.16 1.25 -2.23 0.00 0.00 178.31 178.49 3fwc h LEU 89 N 0.27 0.78 -2.18 0.59 5.85 -1.03 -2.69 115.31 116.90 3fwc h LEU 89 Ca -0.03 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3fwc h LEU 89 Cb 1.29 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3fwc h LEU 89 CO 0.12 0.78 0.03 -0.08 -0.34 0.00 0.00 178.44 178.96 3fwc h GLU 90 N 0.73 0.00 0.00 1.25 4.57 -1.17 0.26 114.58 120.22 3fwc h GLU 90 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3fwc h GLU 90 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3fwc h GLU 90 CO -0.00 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 178.76 3fwc h GLU 91 N 0.00 0.00 -0.01 1.92 5.08 -1.30 -2.17 114.58 118.09 3fwc h GLU 91 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3fwc h GLU 91 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3fwc h GLU 91 CO -0.00 0.00 -0.29 -0.89 -1.00 0.00 0.00 179.01 176.83 3fwc n ILE 92 N -2.70 0.00 -0.07 3.13 5.41 0.08 -4.19 119.36 121.02 3fwc n ILE 92 Ca 0.01 -0.24 -0.07 0.00 1.00 0.00 0.00 62.75 63.45 3fwc n ILE 92 Cb 0.28 0.90 -0.11 0.00 -0.71 0.00 0.00 39.64 40.00 3fwc n ILE 92 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3fwc n VAL 93 N -0.05 0.94 -1.00 1.39 0.31 -0.98 -5.14 118.33 113.80 3fwc n VAL 93 Ca 0.12 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3fwc n VAL 93 Cb 0.43 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3fwc n VAL 93 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61