#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 0.35 -5.01 0.00 5.75 -2.10 -3.46 115.11 110.63 3fwc h GLN 7 Ca 0.00 -0.06 -0.40 0.00 -0.15 0.00 0.00 58.65 58.04 3fwc h GLN 7 Cb 0.00 -0.06 0.02 0.00 1.07 0.00 0.00 27.48 28.51 3fwc h GLN 7 CO 0.00 0.38 -0.61 1.28 -2.65 0.00 0.00 178.83 177.23 3fwc n LEU 8 N -4.81 -2.40 0.01 -2.39 4.77 -1.26 -4.82 117.00 106.10 3fwc n LEU 8 Ca -0.03 -0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 55.54 3fwc n LEU 8 Cb 0.12 -2.70 0.19 0.00 -2.33 0.00 0.00 43.42 38.70 3fwc n LEU 8 CO 0.35 0.26 0.73 0.07 -1.33 0.00 0.00 177.39 177.48 3fwc h LYS 9 N -1.43 0.50 -0.81 3.23 2.10 -2.01 -3.17 116.57 114.98 3fwc h LYS 9 Ca -0.51 -0.19 0.13 0.00 -2.00 0.00 0.00 60.65 58.08 3fwc h LYS 9 Cb 1.34 -0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 32.59 3fwc h LYS 9 CO 0.57 0.71 0.53 0.66 -2.00 0.00 0.00 179.45 179.92 3fwc h SER 10 N 0.44 0.57 -0.95 7.07 4.64 -1.99 0.34 113.55 123.68 3fwc h SER 10 Ca 0.07 0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.51 3fwc h SER 10 Cb 0.67 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.60 3fwc h SER 10 CO 0.05 0.31 0.59 1.56 -0.87 0.00 0.00 176.83 178.46 3fwc h GLN 11 N 0.61 0.95 -0.15 4.77 4.20 -1.94 0.31 115.11 123.87 3fwc h GLN 11 Ca 0.39 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.85 3fwc h GLN 11 Cb 0.67 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3fwc h GLN 11 CO -0.16 0.63 -0.69 0.82 -0.67 0.00 0.00 178.83 178.76 3fwc h ILE 12 N 0.97 1.32 -0.93 2.54 5.03 -0.50 -1.56 117.51 124.39 3fwc h ILE 12 Ca 0.45 -1.97 0.07 0.00 -0.12 0.00 0.00 64.86 63.29 3fwc h ILE 12 Cb 0.38 1.95 -0.07 0.00 -3.03 0.00 0.00 36.82 36.05 3fwc h ILE 12 CO -0.24 0.61 0.59 1.56 -0.68 0.00 0.00 178.15 179.99 3fwc h GLN 13 N 0.43 1.02 -0.36 2.37 4.20 -0.80 0.20 115.11 122.17 3fwc h GLN 13 Ca -0.03 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 3fwc h GLN 13 Cb 1.28 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3fwc h GLN 13 CO 0.13 0.68 0.22 0.37 -0.67 0.00 0.00 178.83 179.55 3fwc h GLN 14 N 1.05 0.50 -0.07 1.46 5.75 0.38 -0.10 115.11 124.08 3fwc h GLN 14 Ca 0.41 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.75 3fwc h GLN 14 Cb 0.20 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.66 3fwc h GLN 14 CO -0.18 0.38 -0.40 1.88 -2.65 0.00 0.00 178.83 177.85 3fwc h TYR 15 N 0.47 0.54 -0.81 3.99 0.99 -1.13 -1.08 116.97 119.94 3fwc h TYR 15 Ca 0.13 -0.24 0.19 0.00 2.00 0.00 0.00 58.73 60.81 3fwc h TYR 15 Cb 0.02 -0.08 -0.13 0.00 1.00 0.00 0.00 36.73 37.54 3fwc h TYR 15 CO -0.04 1.01 0.19 1.25 -0.00 0.00 0.00 178.16 180.57 3fwc h LEU 16 N -0.08 -0.02 -0.09 3.88 5.85 -0.75 0.97 115.31 125.06 3fwc h LEU 16 Ca -0.03 0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 3fwc h LEU 16 Cb 1.06 0.24 0.01 0.00 0.37 0.00 0.00 40.66 42.34 3fwc h LEU 16 CO 0.08 -0.10 -0.58 0.58 -0.34 0.00 0.00 178.44 178.09 3fwc h VAL 17 N 0.23 1.36 0.00 1.05 2.07 -0.95 -0.62 116.25 119.39 3fwc h VAL 17 Ca 0.48 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.03 3fwc h VAL 17 Cb 0.88 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3fwc h VAL 17 CO -0.59 0.57 -0.31 -0.33 0.02 0.00 0.00 177.57 176.93 3fwc h GLU 18 N 0.16 0.00 -0.01 1.57 5.08 -0.02 -2.72 114.58 118.64 3fwc h GLU 18 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fwc h GLU 18 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3fwc h GLU 18 CO 0.12 0.31 -0.07 -1.13 -1.00 0.00 0.00 179.01 177.24 3fwc n SER 19 N -3.79 0.86 0.00 1.42 3.41 0.22 -4.91 113.62 110.83 3fwc n SER 19 Ca -0.01 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3fwc n SER 19 Cb 0.40 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.20 2.37 0.28 5.00 0.00 -1.03 -4.92 105.19 108.09 3fwc n GLY 20 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.50 -0.40 1.61 -0.26 -1.73 -2.45 115.58 112.85 3fwc h ASN 21 Ca 0.00 -0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.69 3fwc h ASN 21 Cb 0.00 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.09 3fwc h ASN 21 CO 0.00 0.55 0.16 0.22 -1.06 0.00 0.00 177.43 177.31 3fwc h TYR 22 N 0.52 0.30 0.02 1.19 3.20 -1.40 -0.84 116.97 119.95 3fwc h TYR 22 Ca 0.12 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3fwc h TYR 22 Cb 0.30 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3fwc h TYR 22 CO 0.01 0.13 -0.01 1.49 -1.64 0.00 0.00 178.16 178.15 3fwc h GLU 23 N 0.34 -0.02 -0.97 1.82 4.81 -1.79 -1.46 114.58 117.31 3fwc h GLU 23 Ca 0.18 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.52 3fwc h GLU 23 Cb 0.14 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.44 3fwc h GLU 23 CO -0.16 0.29 0.61 -0.07 -0.73 0.00 0.00 179.01 178.94 3fwc h LEU 24 N -0.33 0.90 -0.36 1.64 3.38 -1.34 0.98 115.31 120.19 3fwc h LEU 24 Ca -0.00 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3fwc h LEU 24 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3fwc h LEU 24 CO 0.00 0.50 -0.32 0.40 0.09 0.00 0.00 178.44 179.11 3fwc h ILE 25 N 0.99 1.28 0.05 1.22 2.04 -1.06 -1.62 117.51 120.41 3fwc h ILE 25 Ca 0.47 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 3fwc h ILE 25 Cb 0.41 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3fwc h ILE 25 CO -0.25 0.49 -0.02 0.28 0.00 0.00 0.00 178.15 178.65 3fwc h SER 26 N 0.65 -0.06 -1.00 1.72 0.02 -0.27 0.84 113.55 115.45 3fwc h SER 26 Ca 0.06 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3fwc h SER 26 Cb 0.90 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 3fwc h SER 26 CO 0.08 -0.03 0.65 0.78 -1.14 0.00 0.00 176.83 177.18 3fwc h ASN 27 N -0.08 1.07 0.56 3.07 2.35 -0.73 0.25 115.58 122.06 3fwc h ASN 27 Ca -0.01 -0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3fwc h ASN 27 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3fwc h ASN 27 CO 0.01 0.71 -0.39 -0.08 -1.65 0.00 0.00 177.43 176.04 3fwc h GLU 28 N 1.23 0.00 -0.03 0.81 4.81 -0.88 0.23 114.58 120.75 3fwc h GLU 28 Ca 0.41 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 3fwc h GLU 28 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3fwc h GLU 28 CO -0.14 0.39 -0.11 1.25 -0.73 0.00 0.00 179.01 179.67 3fwc h LEU 29 N 0.00 0.15 -1.55 1.64 5.85 0.17 -2.46 115.31 119.11 3fwc h LEU 29 Ca -0.00 -0.64 0.04 0.00 0.84 0.00 0.00 57.88 58.12 3fwc h LEU 29 Cb 0.77 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3fwc h LEU 29 CO 0.05 0.76 0.36 0.11 -0.34 0.00 0.00 178.44 179.38 3fwc h LYS 30 N -0.46 0.56 0.19 1.25 1.57 -0.39 -1.28 116.57 118.01 3fwc h LYS 30 Ca -0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3fwc h LYS 30 Cb 0.75 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3fwc h LYS 30 CO 0.02 0.37 -0.09 0.00 -0.57 0.00 0.00 179.45 179.18 3fwc h ALA 31 N 1.69 -0.26 -0.10 3.86 0.00 -0.47 -1.98 119.26 122.00 3fwc h ALA 31 Ca 0.23 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3fwc h ALA 31 Cb 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3fwc h ALA 31 CO -0.06 -0.58 -0.52 -0.09 0.00 0.00 0.00 179.25 178.00 3fwc h ARG 32 N -0.39 0.29 -0.65 0.00 2.43 -1.13 -1.19 114.38 113.74 3fwc h ARG 32 Ca -0.03 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3fwc h ARG 32 Cb 0.30 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3fwc h ARG 32 CO 0.04 0.74 0.28 -0.07 -1.51 0.00 0.00 179.97 179.45 3fwc h LEU 33 N 0.23 0.86 -0.11 3.80 3.38 -1.20 -0.79 115.31 121.48 3fwc h LEU 33 Ca 0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3fwc h LEU 33 Cb 1.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 3fwc h LEU 33 CO 0.08 0.76 -0.12 0.25 0.09 0.00 0.00 178.44 179.50 3fwc h LEU 34 N 0.93 0.30 -0.43 1.67 5.85 -0.91 -1.54 115.31 121.18 3fwc h LEU 34 Ca 0.22 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3fwc h LEU 34 Cb 0.16 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3fwc h LEU 34 CO -0.02 0.73 0.20 1.56 -0.34 0.00 0.00 178.44 180.57 3fwc h GLN 35 N -0.13 0.40 -0.86 1.25 4.20 -0.98 -2.51 115.11 116.49 3fwc h GLN 35 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fwc h GLN 35 Cb 0.65 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3fwc h GLN 35 CO 0.03 0.27 0.00 -0.85 -0.67 0.00 0.00 178.83 177.60 3fwc n GLU 36 N -4.93 1.91 -0.91 1.46 0.28 -0.32 -4.84 120.64 113.28 3fwc n GLU 36 Ca 0.03 -0.75 0.00 0.00 -0.16 0.00 0.00 57.16 56.27 3fwc n GLU 36 Cb 0.12 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.33 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 0.19 0.26 0.26 -1.84 0.00 -0.95 -4.86 105.19 98.26 3fwc n GLY 37 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.21 1.61 7.01 -1.50 -1.23 115.95 121.63 3fwc h TRP 38 Ca 0.00 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 60.80 3fwc h TRP 38 Cb 0.42 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.49 3fwc h TRP 38 CO 0.27 0.00 -0.66 0.28 -2.79 0.00 0.00 178.44 175.54 3fwc h VAL 39 N 0.00 1.28 -0.36 2.65 2.07 -1.82 -2.71 116.25 117.35 3fwc h VAL 39 Ca -0.00 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 65.62 3fwc h VAL 39 Cb 0.01 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3fwc h VAL 39 CO 0.00 0.59 0.01 0.44 0.02 0.00 0.00 177.57 178.63 3fwc h ASP 40 N 0.58 0.52 0.72 0.57 3.45 -1.67 0.57 116.42 121.15 3fwc h ASP 40 Ca -0.02 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.34 3fwc h ASP 40 Cb 1.28 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3fwc h ASP 40 CO 0.14 0.58 0.00 0.11 -1.57 0.00 0.00 179.24 178.50 3fwc h LYS 41 N 0.53 0.00 0.05 3.56 1.57 -1.07 -1.44 116.57 119.77 3fwc h LYS 41 Ca 0.11 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.53 3fwc h LYS 41 Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 3fwc h LYS 41 CO 0.01 0.00 -2.21 0.28 -0.57 0.00 0.00 179.45 176.96 3fwc n VAL 42 N -3.04 1.60 0.32 0.50 0.31 -0.69 -2.45 118.33 114.88 3fwc n VAL 42 Ca -0.00 -0.66 0.20 0.00 -0.01 0.00 0.00 64.34 63.87 3fwc n VAL 42 Cb 0.23 -1.39 1.09 0.00 -0.91 0.00 0.00 33.84 32.86 3fwc n VAL 42 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3fwc h LYS 43 N 0.03 0.00 0.00 5.55 3.64 -0.69 -0.84 116.57 124.26 3fwc h LYS 43 Ca -0.49 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 3fwc h LYS 43 Cb 2.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.81 3fwc h LYS 43 CO 0.01 0.01 -0.63 -0.44 -2.27 0.00 0.00 179.45 176.13 3fwc h ASP 44 N 0.00 0.00 -0.90 4.20 3.45 -1.38 -3.28 116.42 118.51 3fwc h ASP 44 Ca -0.00 -0.48 0.22 0.00 0.43 0.00 0.00 57.03 57.20 3fwc h ASP 44 Cb 0.06 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.76 3fwc h ASP 44 CO 0.00 1.10 0.61 0.25 -1.57 0.00 0.00 179.24 179.63 3fwc h LEU 45 N -1.00 0.34 -0.78 1.55 5.85 -1.12 0.30 115.31 120.44 3fwc h LEU 45 Ca -0.15 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 3fwc h LEU 45 Cb 0.91 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3fwc h LEU 45 CO -0.09 0.13 -0.59 0.74 -0.34 0.00 0.00 178.44 178.29 3fwc h THR 46 N 0.33 1.37 0.03 1.05 2.02 -1.31 -2.85 112.91 113.56 3fwc h THR 46 Ca 0.47 -2.04 -0.22 0.00 0.77 0.00 0.00 66.41 65.39 3fwc h THR 46 Cb 1.27 2.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.79 3fwc h THR 46 CO -0.16 0.57 -1.00 0.11 0.37 0.00 0.00 175.52 175.42 3fwc h LYS 47 N 0.00 0.15 0.22 6.66 1.57 -0.52 -2.83 116.57 121.82 3fwc h LYS 47 Ca -0.01 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3fwc h LYS 47 Cb 1.07 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3fwc h LYS 47 CO 0.08 1.03 -0.11 0.66 -0.57 0.00 0.00 179.45 180.53 3fwc h SER 48 N 0.06 -0.26 -0.77 0.86 4.64 -1.17 -0.48 113.55 116.44 3fwc h SER 48 Ca -0.06 -0.15 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 3fwc h SER 48 Cb 1.69 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.80 3fwc h SER 48 CO 0.15 0.01 0.51 -0.33 -0.87 0.00 0.00 176.83 176.30 3fwc h GLU 49 N -0.53 0.79 -0.16 4.77 4.39 -1.58 0.50 114.58 122.75 3fwc h GLU 49 Ca -0.03 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 3fwc h GLU 49 Cb 0.39 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3fwc h GLU 49 CO 0.05 0.52 -0.63 0.52 -1.16 0.00 0.00 179.01 178.31 3fwc h MET 50 N 0.81 0.59 0.00 2.33 2.86 -1.41 -3.11 114.93 117.01 3fwc h MET 50 Ca 0.34 -0.41 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 3fwc h MET 50 Cb 0.27 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3fwc h MET 50 CO -0.12 1.03 -0.45 -0.91 1.06 0.00 0.00 176.91 177.52 3fwc h ASN 51 N 0.43 0.00 0.77 1.22 4.21 0.71 -3.13 115.58 119.80 3fwc h ASN 51 Ca -0.01 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3fwc h ASN 51 Cb 1.20 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.41 3fwc h ASN 51 CO 0.12 0.45 -0.37 0.40 -1.29 0.00 0.00 177.43 176.75 3fwc h ILE 52 N 0.00 0.00 -3.18 2.81 2.04 -0.93 -3.43 117.51 114.82 3fwc h ILE 52 Ca -0.00 -0.12 -0.43 0.00 1.00 0.00 0.00 64.86 65.30 3fwc h ILE 52 Cb 0.88 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.56 3fwc h ILE 52 CO 0.06 0.00 -0.75 0.21 0.00 0.00 0.00 178.15 177.67 3fwc s ASN 53 N -3.95 1.93 -0.59 1.72 3.84 -1.19 -5.02 114.94 111.70 3fwc s ASN 53 Ca -0.15 -0.35 -0.02 0.00 0.21 0.00 0.00 52.86 52.55 3fwc s ASN 53 Cb 0.02 -0.27 0.39 0.00 -0.55 0.00 0.00 41.25 40.83 3fwc s ASN 53 CO 0.45 -0.30 2.04 1.21 -2.79 0.00 0.00 177.10 177.72 3fwc n GLU 54 N 5.25 2.47 -0.00 0.43 4.07 -1.18 -3.44 120.64 128.23 3fwc n GLU 54 Ca -0.06 -2.87 -0.00 0.00 -0.06 0.00 0.00 57.16 54.17 3fwc n GLU 54 Cb 0.49 -2.12 -0.01 0.00 -0.06 0.00 0.00 31.44 29.74 3fwc n GLU 54 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3fwc n SER 55 N -0.58 4.79 -4.69 4.31 2.88 -1.26 -4.99 113.62 114.07 3fwc n SER 55 Ca 0.55 -0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.66 3fwc n SER 55 Cb 0.63 0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 64.55 3fwc n SER 55 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3fwc s THR 56 N -2.02 3.49 0.92 2.46 -4.23 -1.22 -4.98 115.64 110.06 3fwc s THR 56 Ca -0.00 0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 61.27 3fwc s THR 56 Cb 0.00 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 70.42 3fwc s THR 56 CO 0.03 -0.00 1.24 0.54 -0.54 0.00 0.00 174.62 175.88 3fwc s ASN 57 N 2.03 3.50 0.18 3.99 2.20 -1.26 -4.71 114.94 120.87 3fwc s ASN 57 Ca 0.67 0.56 -0.21 0.00 -0.94 0.00 0.00 52.86 52.94 3fwc s ASN 57 Cb -0.34 -0.84 0.10 0.00 -2.00 0.00 0.00 41.25 38.17 3fwc s ASN 57 CO 0.28 -2.51 1.60 0.15 -2.94 0.00 0.00 177.10 173.68 3fwc h PHE 58 N -1.48 -0.79 -0.24 1.54 3.57 -2.00 -2.12 116.94 115.43 3fwc h PHE 58 Ca -0.46 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.16 3fwc h PHE 58 Cb 1.28 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 40.39 3fwc h PHE 58 CO -0.53 -0.36 -0.10 1.15 -2.23 0.00 0.00 178.31 176.24 3fwc h THR 59 N -0.18 0.66 -0.55 4.41 2.02 -2.00 -0.47 112.91 116.81 3fwc h THR 59 Ca 0.21 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3fwc h THR 59 Cb 0.52 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3fwc h THR 59 CO -0.58 0.00 0.34 1.56 0.37 0.00 0.00 175.52 177.21 3fwc h GLN 60 N -0.07 0.66 -0.03 6.66 4.20 -1.78 -1.88 115.11 122.86 3fwc h GLN 60 Ca 0.13 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3fwc h GLN 60 Cb 0.26 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3fwc h GLN 60 CO -0.28 0.43 -0.03 0.82 -0.67 0.00 0.00 178.83 179.10 3fwc h ILE 61 N 0.68 0.92 -0.28 2.54 1.08 -0.82 -2.34 117.51 119.28 3fwc h ILE 61 Ca 0.21 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.75 3fwc h ILE 61 Cb -0.01 0.92 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 3fwc h ILE 61 CO -0.08 0.00 -0.10 0.25 -0.69 0.00 0.00 178.15 177.52 3fwc h LEU 62 N -0.03 -0.36 -0.53 1.44 5.85 -0.78 -1.88 115.31 119.02 3fwc h LEU 62 Ca 0.02 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3fwc h LEU 62 Cb 0.07 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3fwc h LEU 62 CO -0.05 -0.13 0.17 0.28 -0.34 0.00 0.00 178.44 178.36 3fwc h SER 63 N -0.05 0.13 -0.31 1.25 0.02 -1.19 -1.21 113.55 112.19 3fwc h SER 63 Ca 0.14 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3fwc h SER 63 Cb 0.27 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3fwc h SER 63 CO -0.32 0.10 0.17 0.74 -1.14 0.00 0.00 176.83 176.37 3fwc h THR 64 N 0.33 1.13 0.17 -2.27 2.02 -0.81 -3.20 112.91 110.27 3fwc h THR 64 Ca 0.26 -0.36 -0.30 0.00 0.77 0.00 0.00 66.41 66.79 3fwc h THR 64 Cb 0.31 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3fwc h THR 64 CO -0.29 0.14 -1.42 0.58 0.37 0.00 0.00 175.52 174.90 3fwc h VAL 65 N 0.49 1.14 -0.02 3.16 2.07 -0.56 -3.38 116.25 119.14 3fwc h VAL 65 Ca 0.13 -2.52 0.03 0.00 0.82 0.00 0.00 66.70 65.15 3fwc h VAL 65 Cb 0.06 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 3fwc h VAL 65 CO -0.02 0.78 -0.48 -0.33 0.02 0.00 0.00 177.57 177.54 3fwc h GLU 66 N -0.10 -0.59 -0.63 1.57 5.08 -1.26 -0.44 114.58 118.22 3fwc h GLU 66 Ca -0.28 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.20 3fwc h GLU 66 Cb 1.93 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.28 3fwc h GLU 66 CO 0.16 -0.39 0.42 -1.35 -1.00 0.00 0.00 179.01 176.84 3fwc h PRO 67 N -0.61 0.52 -0.09 2.33 0.11 -1.78 -1.13 132.00 131.35 3fwc h PRO 67 Ca 0.03 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3fwc h PRO 67 Cb 0.69 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3fwc h PRO 67 CO -0.36 0.34 -0.10 0.87 -0.21 0.00 0.00 178.00 178.54 3fwc h LYS 68 N 0.53 0.23 -0.91 1.05 1.57 -1.48 -3.09 116.57 114.48 3fwc h LYS 68 Ca 0.28 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3fwc h LYS 68 Cb 0.41 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3fwc h LYS 68 CO -0.09 0.67 0.50 0.00 -0.57 0.00 0.00 179.45 179.96 3fwc h ALA 69 N 0.56 1.18 0.00 3.86 0.00 -0.72 -0.99 119.26 123.15 3fwc h ALA 69 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fwc h ALA 69 Cb 0.63 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fwc h ALA 69 CO 0.02 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.19 3fwc h LEU 70 N 1.27 0.00 0.00 0.00 5.85 -1.21 -1.78 115.31 119.43 3fwc h LEU 70 Ca 0.32 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.80 3fwc h LEU 70 Cb 0.02 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3fwc h LEU 70 CO -0.05 0.00 -2.11 -0.62 -0.34 0.00 0.00 178.44 175.31 3fwc n GLU 71 N -2.65 0.67 0.25 1.25 -0.58 -0.45 -4.23 120.64 114.90 3fwc n GLU 71 Ca -0.02 -0.01 0.17 0.00 -0.42 0.00 0.00 57.16 56.88 3fwc n GLU 71 Cb 0.07 -1.57 0.85 0.00 -0.57 0.00 0.00 31.44 30.22 3fwc n GLU 71 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 3fwc h MET 72 N 0.00 0.00 -6.19 3.49 2.86 -0.49 -3.43 114.93 111.18 3fwc h MET 72 Ca -0.34 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.74 3fwc h MET 72 Cb 1.82 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.48 3fwc h MET 72 CO 0.03 0.00 1.32 0.14 1.06 0.00 0.00 176.91 179.46 3fwc s VAL 73 N -3.78 3.17 0.95 -2.22 -7.23 -1.22 -4.95 120.40 105.12 3fwc s VAL 73 Ca -0.02 0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.23 3fwc s VAL 73 Cb 0.10 -3.18 0.10 0.00 0.56 0.00 0.00 36.38 33.96 3fwc s VAL 73 CO 0.37 -0.08 0.78 -1.54 -0.31 0.00 0.00 175.10 174.32 3fwc n SER 74 N 9.55 -0.89 0.03 4.85 3.41 -1.26 -4.87 113.62 124.45 3fwc n SER 74 Ca 0.24 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3fwc n SER 74 Cb 0.44 -1.34 0.20 0.00 -0.26 0.00 0.00 64.21 63.25 3fwc n SER 74 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fwc n ASP 75 N -2.89 0.59 0.18 4.04 -0.08 -1.26 -2.86 116.55 114.28 3fwc n ASP 75 Ca 0.09 -0.06 0.07 0.00 -1.51 0.00 0.00 54.79 53.37 3fwc n ASP 75 Cb 0.53 0.25 0.21 0.00 2.34 0.00 0.00 41.12 44.45 3fwc n ASP 75 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3fwc h SER 76 N 0.00 0.00 0.26 1.67 4.64 -1.99 -2.54 113.55 115.59 3fwc h SER 76 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3fwc h SER 76 Cb 0.63 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.76 3fwc h SER 76 CO 0.00 0.31 -1.52 0.74 -0.87 0.00 0.00 176.83 175.49 3fwc h THR 77 N 0.00 1.24 -0.50 2.95 2.02 -1.90 -2.88 112.91 113.84 3fwc h THR 77 Ca -0.00 -2.68 -0.01 0.00 0.77 0.00 0.00 66.41 64.48 3fwc h THR 77 Cb 1.09 3.01 -0.02 0.00 -1.74 0.00 0.00 68.15 70.49 3fwc h THR 77 CO 0.04 0.82 0.27 0.03 0.37 0.00 0.00 175.52 177.05 3fwc h ARG 78 N 0.14 0.68 0.60 6.66 3.08 -1.57 -3.08 114.38 120.89 3fwc h ARG 78 Ca -0.27 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 3fwc h ARG 78 Cb 2.16 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.07 3fwc h ARG 78 CO 0.26 0.50 -0.33 1.49 -1.07 0.00 0.00 179.97 180.82 3fwc h GLU 79 N 0.69 -0.84 -0.80 0.04 4.57 -1.42 -2.16 114.58 114.66 3fwc h GLU 79 Ca 0.18 0.06 0.15 0.00 -1.18 0.00 0.00 59.36 58.57 3fwc h GLU 79 Cb 0.02 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 3fwc h GLU 79 CO -0.03 -0.56 0.53 1.79 -1.18 0.00 0.00 179.01 179.56 3fwc h THR 80 N -0.87 0.79 -0.33 0.32 1.35 -1.46 0.97 112.91 113.68 3fwc h THR 80 Ca -0.08 -0.16 -0.15 0.00 -0.55 0.00 0.00 66.41 65.47 3fwc h THR 80 Cb 0.69 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 3fwc h THR 80 CO 0.10 0.09 -0.38 0.58 -0.25 0.00 0.00 175.52 175.66 3fwc h VAL 81 N 0.48 1.28 -0.15 6.82 2.07 -1.41 -2.12 116.25 123.22 3fwc h VAL 81 Ca 0.40 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 3fwc h VAL 81 Cb 0.86 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3fwc h VAL 81 CO -0.14 0.51 -0.01 0.25 0.02 0.00 0.00 177.57 178.19 3fwc h LEU 82 N 0.64 0.26 -0.46 2.57 5.85 -0.27 -2.21 115.31 121.70 3fwc h LEU 82 Ca 0.06 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.53 3fwc h LEU 82 Cb 0.94 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 3fwc h LEU 82 CO 0.09 0.53 -0.01 0.50 -0.34 0.00 0.00 178.44 179.21 3fwc h LYS 83 N -0.01 0.10 0.00 1.25 3.64 -0.87 0.28 116.57 120.96 3fwc h LYS 83 Ca 0.04 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3fwc h LYS 83 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3fwc h LYS 83 CO 0.01 0.07 -0.36 1.96 -2.27 0.00 0.00 179.45 178.85 3fwc h GLN 84 N 0.10 0.00 0.04 1.90 4.20 -1.32 -1.62 115.11 118.42 3fwc h GLN 84 Ca 0.23 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.66 3fwc h GLN 84 Cb 0.33 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3fwc h GLN 84 CO -0.38 0.36 -1.44 0.82 -0.67 0.00 0.00 178.83 177.52 3fwc h ILE 85 N 0.00 1.21 0.65 2.54 2.04 -0.73 -3.15 117.51 120.07 3fwc h ILE 85 Ca -0.00 -2.95 -0.02 0.00 1.00 0.00 0.00 64.86 62.89 3fwc h ILE 85 Cb 0.78 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3fwc h ILE 85 CO 0.05 0.75 -0.48 0.03 0.00 0.00 0.00 178.15 178.50 3fwc h ARG 86 N 0.02 -1.04 -0.98 2.37 3.08 -0.28 -2.85 114.38 114.69 3fwc h ARG 86 Ca -0.19 0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.11 3fwc h ARG 86 Cb 1.94 0.24 -0.09 0.00 0.08 0.00 0.00 29.97 32.13 3fwc h ARG 86 CO 0.12 -0.70 0.61 0.93 -1.07 0.00 0.00 179.97 179.87 3fwc h GLU 87 N -1.08 0.72 -0.16 0.04 5.08 -1.39 0.22 114.58 118.02 3fwc h GLU 87 Ca -0.08 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3fwc h GLU 87 Cb 0.90 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3fwc h GLU 87 CO 0.03 0.48 -0.43 0.35 -1.00 0.00 0.00 179.01 178.44 3fwc h PHE 88 N 0.74 0.44 -0.33 4.33 3.57 -1.55 -3.21 116.94 120.94 3fwc h PHE 88 Ca 0.54 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 3fwc h PHE 88 Cb 0.86 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3fwc h PHE 88 CO -0.00 0.74 0.07 1.25 -2.23 0.00 0.00 178.31 178.14 3fwc h LEU 89 N 0.31 0.51 0.00 0.59 5.85 -0.32 -2.66 115.31 119.58 3fwc h LEU 89 Ca 0.02 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3fwc h LEU 89 Cb 0.88 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3fwc h LEU 89 CO 0.07 0.62 0.00 1.21 -0.34 0.00 0.00 178.44 180.00 3fwc n GLU 90 N -4.62 0.06 0.00 1.25 4.07 -0.95 -5.13 120.64 115.32 3fwc n GLU 90 Ca -0.02 0.20 0.13 0.00 -0.06 0.00 0.00 57.16 57.41 3fwc n GLU 90 Cb 0.20 -1.50 0.35 0.00 -0.06 0.00 0.00 31.44 30.44 3fwc n GLU 90 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46