#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8y n LYS 2 N 0.00 2.66 -2.70 1.61 4.81 0.54 -4.89 118.16 120.19 1l8y n LYS 2 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1l8y n LYS 2 Cb 0.00 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.14 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1l8y n LEU 3 N 0.00 -0.38 0.00 3.14 -0.00 -1.26 -4.69 117.00 113.81 1l8y n LEU 3 Ca 0.00 -3.44 0.00 0.00 -0.00 0.00 0.00 56.01 52.57 1l8y n LEU 3 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1l8y n LEU 3 CO 0.00 1.66 0.00 -0.81 -0.00 0.00 0.00 177.39 178.24 1l8y n PRO 4 N -0.59 0.00 -0.85 1.47 -0.04 -1.26 -5.00 135.00 128.73 1l8y n PRO 4 Ca -0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1l8y n PRO 4 Cb 0.84 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.28 1l8y n PRO 4 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1l8y n GLU 5 N 0.00 -2.12 0.00 0.54 0.28 -1.15 -5.05 120.64 113.14 1l8y n GLU 5 Ca 0.00 1.68 0.00 0.00 -0.16 0.00 0.00 57.16 58.68 1l8y n GLU 5 Cb 0.00 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 30.65 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1l8y n SER 6 N -2.64 0.00 -4.04 -1.84 2.88 -1.26 -4.98 113.62 101.74 1l8y n SER 6 Ca -0.02 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.15 1l8y n SER 6 Cb 0.32 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.82 1l8y n SER 6 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1l8y n PRO 7 N 0.00 -0.00 -0.91 -1.46 -0.04 -1.26 -4.96 135.00 126.37 1l8y n PRO 7 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1l8y n PRO 7 Cb 0.00 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 1l8y n PRO 7 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1l8y n LYS 8 N 2.26 0.00 0.00 0.54 3.00 -1.23 -4.99 118.16 117.74 1l8y n LYS 8 Ca -0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1l8y n LYS 8 Cb 0.55 0.36 0.00 0.00 0.00 0.00 0.00 35.03 35.94 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1l8y n ARG 9 N 0.02 0.00 0.00 1.64 5.12 0.35 -3.06 116.66 120.73 1l8y n ARG 9 Ca -0.20 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 1l8y n ARG 9 Cb 0.68 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.98 1l8y n ARG 9 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8y n ALA 10 N 5.88 0.00 0.01 7.54 0.00 -0.47 -2.70 120.51 130.77 1l8y n ALA 10 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1l8y n ALA 10 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 1l8y n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1l8y h GLU 11 N 0.00 0.00 0.00 0.00 3.07 -1.65 -2.37 114.58 113.63 1l8y h GLU 11 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1l8y h GLU 11 CO 0.00 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.70 1l8y n GLU 12 N -3.33 0.00 -0.10 2.33 0.00 0.11 -2.17 120.64 117.49 1l8y n GLU 12 Ca 0.12 0.41 -0.07 0.00 0.00 0.00 0.00 57.16 57.62 1l8y n GLU 12 Cb 1.00 -0.98 -0.00 0.00 0.00 0.00 0.00 31.44 31.46 1l8y n GLU 12 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1l8y h ILE 13 N 0.00 0.34 -0.05 6.31 6.09 0.05 -2.78 117.51 127.48 1l8y h ILE 13 Ca 0.00 0.00 -0.09 0.00 -1.37 0.00 0.00 64.86 63.40 1l8y h ILE 13 Cb 0.00 0.34 0.01 0.00 0.47 0.00 0.00 36.82 37.64 1l8y h ILE 13 CO 0.00 0.00 -0.33 -0.25 -3.07 0.00 0.00 178.15 174.50 1l8y h TRP 14 N -0.20 0.42 0.05 2.19 7.01 -1.63 -2.40 115.95 121.39 1l8y h TRP 14 Ca 0.18 -0.20 0.00 0.00 2.11 0.00 0.00 58.89 60.98 1l8y h TRP 14 Cb 0.48 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 1l8y h TRP 14 CO -0.46 0.95 -0.15 0.37 -2.79 0.00 0.00 178.44 176.36 1l8y h GLN 15 N -0.23 -0.21 -0.79 2.65 5.75 -1.35 0.18 115.11 121.11 1l8y h GLN 15 Ca -0.03 0.01 0.21 0.00 -0.15 0.00 0.00 58.65 58.70 1l8y h GLN 15 Cb 1.00 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 1l8y h GLN 15 CO 0.07 -0.14 0.55 1.96 -2.65 0.00 0.00 178.83 178.62 1l8y h GLN 16 N -0.22 0.10 -0.44 1.69 1.08 -1.65 0.92 115.11 116.58 1l8y h GLN 16 Ca -0.00 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1l8y h GLN 16 Cb 0.22 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1l8y h GLN 16 CO -0.07 0.06 0.13 0.77 -0.95 0.00 0.00 178.83 178.78 1l8y h SER 17 N 0.10 0.65 0.00 1.46 0.02 -0.55 -3.36 113.55 111.87 1l8y h SER 17 Ca 0.38 -0.21 -0.28 0.00 -0.84 0.00 0.00 61.79 60.84 1l8y h SER 17 Cb 1.37 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.69 1l8y h SER 17 CO -0.04 0.69 -1.89 1.33 -1.14 0.00 0.00 176.83 175.78 1l8y n VAL 18 N -4.54 1.00 -0.19 2.27 0.24 0.45 -4.65 118.33 112.90 1l8y n VAL 18 Ca 0.00 -0.21 0.18 0.00 -2.04 0.00 0.00 64.34 62.28 1l8y n VAL 18 Cb 0.19 -1.76 0.34 0.00 -1.47 0.00 0.00 33.84 31.14 1l8y n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l8y n ILE 19 N -3.81 -0.25 -0.07 1.34 3.06 0.30 0.19 119.36 120.12 1l8y n ILE 19 Ca -0.33 1.22 -0.10 0.00 -2.50 0.00 0.00 62.75 61.05 1l8y n ILE 19 Cb 0.72 -1.97 -0.03 0.00 0.54 0.00 0.00 39.64 38.89 1l8y n ILE 19 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1l8y h GLY 20 N 0.00 0.35 1.93 4.50 0.00 -1.72 0.98 103.07 109.12 1l8y h GLY 20 Ca 0.50 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.47 1l8y h GLY 20 CO -0.47 0.15 -0.95 -1.80 0.00 0.00 0.00 176.54 173.47 1l8y h ASP 21 N 0.29 0.08 -0.20 0.19 3.58 0.17 -1.45 116.42 119.08 1l8y h ASP 21 Ca 0.09 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 1l8y h ASP 21 Cb 0.04 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1l8y h ASP 21 CO -0.01 0.98 -0.03 1.88 -2.88 0.00 0.00 179.24 179.18 1l8y h TYR 22 N 0.02 0.42 -0.08 0.28 -1.99 0.59 -0.61 116.97 115.61 1l8y h TYR 22 Ca -0.03 -0.08 -0.13 0.00 2.00 0.00 0.00 58.73 60.49 1l8y h TYR 22 Cb 1.65 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 40.27 1l8y h TYR 22 CO 0.01 0.60 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.15 1l8y h LEU 23 N 0.11 0.26 0.29 3.88 3.38 0.95 -3.26 115.31 120.92 1l8y h LEU 23 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1l8y h LEU 23 Cb 0.45 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1l8y h LEU 23 CO 0.02 0.76 -0.14 0.00 0.09 0.00 0.00 178.44 179.16 1l8y h ALA 24 N 1.25 -0.39 -1.23 1.53 0.00 -1.08 0.38 119.26 119.73 1l8y h ALA 24 Ca 0.00 -0.15 0.44 0.00 0.00 0.00 0.00 54.91 55.20 1l8y h ALA 24 Cb 1.02 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1l8y h ALA 24 CO 0.08 -0.62 0.75 0.07 0.00 0.00 0.00 179.25 179.54 1l8y h ARG 25 N -0.58 0.04 0.00 0.00 0.11 -1.15 0.83 114.38 113.63 1l8y h ARG 25 Ca -0.04 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1l8y h ARG 25 Cb 0.42 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1l8y h ARG 25 CO 0.06 0.03 -0.06 0.34 0.10 0.00 0.00 179.97 180.44 1l8y n PHE 26 N -4.91 0.00 -4.04 4.08 7.35 -1.20 -5.01 117.46 113.73 1l8y n PHE 26 Ca 0.38 -0.59 -0.31 0.00 -0.76 0.00 0.00 57.45 56.17 1l8y n PHE 26 Cb 1.42 -0.09 -0.03 0.00 0.35 0.00 0.00 39.48 41.13 1l8y n PHE 26 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1l8y n LYS 27 N -0.77 -1.84 0.00 -4.13 0.00 0.96 -4.10 118.16 108.28 1l8y n LYS 27 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1l8y n LYS 27 Cb 0.49 -3.88 0.00 0.00 0.00 0.00 0.00 35.03 31.64 1l8y n LYS 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1l8y n ASN 28 N -2.78 0.00 0.00 3.14 5.15 0.87 -5.00 115.26 116.64 1l8y n ASN 28 Ca -0.26 0.00 0.11 0.00 -0.60 0.00 0.00 54.58 53.84 1l8y n ASN 28 Cb 0.66 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.49 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1l8y n ASP 29 N 0.00 0.00 0.00 1.20 2.03 -1.18 -4.37 116.55 114.23 1l8y n ASP 29 Ca 0.00 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1l8y n ASP 29 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 1l8y n ASP 29 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1l8y n ARG 30 N -1.25 0.00 -0.16 -0.67 5.12 -1.26 0.26 116.66 118.71 1l8y n ARG 30 Ca 0.12 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.99 1l8y n ARG 30 Cb 0.16 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.48 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1l8y h VAL 31 N 0.00 0.28 0.00 1.55 2.07 -1.98 0.37 116.25 118.53 1l8y h VAL 31 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1l8y h VAL 31 Cb 0.00 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1l8y h VAL 31 CO 0.00 0.00 -0.46 0.11 0.02 0.00 0.00 177.57 177.24 1l8y h LYS 32 N -0.15 0.00 -0.22 1.57 1.79 0.33 -3.28 116.57 116.61 1l8y h LYS 32 Ca 0.22 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.68 1l8y h LYS 32 Cb 0.51 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1l8y h LYS 32 CO -0.59 0.46 0.10 0.00 -1.08 0.00 0.00 179.45 178.34 1l8y h ALA 33 N 1.54 0.28 -0.72 3.86 0.00 0.25 0.55 119.26 125.03 1l8y h ALA 33 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1l8y h ALA 33 Cb 1.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1l8y h ALA 33 CO 0.06 -0.14 0.46 1.25 0.00 0.00 0.00 179.25 180.88 1l8y h LEU 34 N 0.21 0.83 0.02 0.00 6.46 -0.49 -1.14 115.31 121.21 1l8y h LEU 34 Ca 0.07 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 1l8y h LEU 34 Cb 0.14 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1l8y h LEU 34 CO -0.01 0.62 -0.15 0.11 -0.62 0.00 0.00 178.44 178.39 1l8y h LYS 35 N 0.98 0.07 -0.39 1.25 1.79 -1.55 0.67 116.57 119.39 1l8y h LYS 35 Ca 0.26 -0.10 0.11 0.00 -2.18 0.00 0.00 60.65 58.75 1l8y h LYS 35 Cb -0.09 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 1l8y h LYS 35 CO -0.05 0.98 0.44 0.00 -1.08 0.00 0.00 179.45 179.73 1l8y h ALA 36 N 0.09 2.07 0.03 3.86 0.00 0.22 0.88 119.26 126.42 1l8y h ALA 36 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1l8y h ALA 36 Cb 1.05 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1l8y h ALA 36 CO 0.03 -0.64 -1.63 -0.12 0.00 0.00 0.00 179.25 176.89 1l8y n MET 37 N -3.67 0.62 0.18 0.00 0.00 -0.44 -3.75 117.12 110.06 1l8y n MET 37 Ca 0.07 0.45 -0.08 0.00 -0.00 0.00 0.00 57.70 58.14 1l8y n MET 37 Cb 0.61 -1.70 -0.04 0.00 0.00 0.00 0.00 33.22 32.09 1l8y n MET 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1l8y h GLU 38 N -0.70 -0.50 -0.32 2.12 4.57 0.18 -2.15 114.58 117.77 1l8y h GLU 38 Ca -0.42 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 57.89 1l8y h GLU 38 Cb 1.54 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.23 1l8y h GLU 38 CO -0.16 -0.34 0.44 0.52 -1.18 0.00 0.00 179.01 178.29 1l8y h MET 39 N -0.96 0.00 0.00 1.92 2.86 0.52 0.27 114.93 119.55 1l8y h MET 39 Ca -0.05 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1l8y h MET 39 Cb 0.40 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1l8y h MET 39 CO 0.09 0.00 -0.98 1.15 1.06 0.00 0.00 176.91 178.23 1l8y h THR 40 N 0.00 0.26 0.14 2.22 2.02 -1.58 -3.07 112.91 112.90 1l8y h THR 40 Ca 0.15 -1.46 -0.32 0.00 0.77 0.00 0.00 66.41 65.55 1l8y h THR 40 Cb 1.02 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 69.25 1l8y h THR 40 CO -0.00 0.15 -1.64 -0.25 0.37 0.00 0.00 175.52 174.15 1l8y h TRP 41 N 0.00 0.52 0.21 3.16 2.91 0.19 -3.35 115.95 119.60 1l8y h TRP 41 Ca -0.06 -0.38 -0.29 0.00 1.13 0.00 0.00 58.89 59.29 1l8y h TRP 41 Cb 1.24 -0.02 0.03 0.00 -0.51 0.00 0.00 29.16 29.90 1l8y h TRP 41 CO 0.00 1.64 -1.27 -2.95 -1.03 0.00 0.00 178.44 174.83 1l8y h ASN 42 N -0.13 0.74 -0.04 2.65 7.08 -1.44 -3.11 115.58 121.33 1l8y h ASN 42 Ca -0.34 -0.92 0.01 0.00 -3.08 0.00 0.00 56.30 51.96 1l8y h ASN 42 Cb 1.91 -0.24 -0.00 0.00 -2.08 0.00 0.00 38.32 37.90 1l8y h ASN 42 CO 0.09 1.61 0.11 -0.55 -2.08 0.00 0.00 177.43 176.61 1l8y h ASN 43 N -0.00 0.00 0.02 6.14 -0.00 -1.74 0.28 115.58 120.28 1l8y h ASN 43 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.08 1l8y h ASN 43 Cb 2.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.32 1l8y h ASN 43 CO 0.24 0.00 -0.09 0.80 -0.00 0.00 0.00 177.43 178.37 1l8y n MET 44 N -3.33 1.68 0.00 4.14 1.56 -1.22 -5.06 117.12 114.90 1l8y n MET 44 Ca -0.02 -1.18 0.00 0.00 -0.27 0.00 0.00 57.70 56.23 1l8y n MET 44 Cb 0.19 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.08 1l8y n MET 44 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1l8y n GLU 45 N 0.37 0.00 -0.53 2.12 2.13 1.00 -2.96 120.64 122.77 1l8y n GLU 45 Ca 0.15 0.00 0.43 0.00 0.66 0.00 0.00 57.16 58.40 1l8y n GLU 45 Cb 0.44 0.00 0.73 0.00 0.27 0.00 0.00 31.44 32.88 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1l8y h LYS 46 N 0.00 0.04 -0.14 5.31 3.11 -1.87 -1.63 116.57 121.39 1l8y h LYS 46 Ca 0.00 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.87 1l8y h LYS 46 Cb 0.00 -0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.15 1l8y h LYS 46 CO 0.00 0.03 -0.51 -0.22 -2.81 0.00 0.00 179.45 175.94 1l8y h LYS 47 N 0.04 -0.53 0.00 1.90 1.63 -1.88 -2.48 116.57 115.25 1l8y h LYS 47 Ca 0.83 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.66 1l8y h LYS 47 Cb 2.99 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 34.75 1l8y h LYS 47 CO -0.19 -0.36 -0.03 0.93 -3.45 0.00 0.00 179.45 176.35 1l8y h GLU 48 N -0.55 0.00 0.00 1.90 4.39 -1.42 -3.32 114.58 115.58 1l8y h GLU 48 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1l8y h GLU 48 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1l8y h GLU 48 CO -0.43 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.05 1l8y n LYS 49 N -4.49 0.00 -0.31 2.33 5.02 -0.92 -0.80 118.16 118.99 1l8y n LYS 49 Ca -0.00 0.60 0.16 0.00 -2.02 0.00 0.00 58.31 57.05 1l8y n LYS 49 Cb 0.02 -1.12 0.35 0.00 -0.02 0.00 0.00 35.03 34.25 1l8y n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1l8y h LEU 50 N 0.00 0.22 -1.16 -0.35 -0.00 -1.67 -0.10 115.31 112.26 1l8y h LEU 50 Ca 0.00 0.19 -0.08 0.00 -0.00 0.00 0.00 57.88 57.98 1l8y h LEU 50 Cb 0.00 0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1l8y h LEU 50 CO 0.00 -0.11 -0.40 0.24 -0.00 0.00 0.00 178.44 178.17 1l8y h MET 51 N 0.29 0.00 -0.42 1.13 2.86 -1.47 -2.86 114.93 114.46 1l8y h MET 51 Ca 0.61 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 58.12 1l8y h MET 51 Cb 1.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1l8y h MET 51 CO -0.61 0.40 -0.23 -1.49 1.06 0.00 0.00 176.91 176.04 1l8y h TRP 52 N 0.00 0.99 0.12 -0.22 4.06 0.98 -2.51 115.95 119.38 1l8y h TRP 52 Ca -0.00 -0.24 0.01 0.00 2.06 0.00 0.00 58.89 60.73 1l8y h TRP 52 Cb 0.76 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 28.66 1l8y h TRP 52 CO 0.00 1.01 -0.23 0.82 -3.56 0.00 0.00 178.44 176.48 1l8y h ILE 53 N 0.75 0.50 -0.16 1.49 2.04 -1.28 -2.45 117.51 118.39 1l8y h ILE 53 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1l8y h ILE 53 Cb 0.77 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1l8y h ILE 53 CO 0.06 0.00 0.04 0.50 0.00 0.00 0.00 178.15 178.75 1l8y h LYS 54 N -0.43 0.22 0.09 2.37 1.63 -1.44 1.39 116.57 120.40 1l8y h LYS 54 Ca 0.03 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1l8y h LYS 54 Cb 0.44 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1l8y h LYS 54 CO -0.12 0.21 -0.05 -0.22 -3.45 0.00 0.00 179.45 175.83 1l8y h LYS 55 N 0.23 -0.12 0.00 1.90 3.64 -0.98 1.33 116.57 122.56 1l8y h LYS 55 Ca 0.06 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1l8y h LYS 55 Cb 0.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1l8y h LYS 55 CO -0.00 -0.08 -0.72 0.00 -2.27 0.00 0.00 179.45 176.38 1l8y h ALA 56 N 0.79 0.59 0.07 5.00 0.00 -1.33 -2.17 119.26 122.22 1l8y h ALA 56 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1l8y h ALA 56 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1l8y h ALA 56 CO 0.01 0.00 -1.14 0.00 0.00 0.00 0.00 179.25 178.12 1l8y h ALA 57 N 2.22 0.20 0.00 0.00 0.00 0.21 1.32 119.26 123.22 1l8y h ALA 57 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 54.91 53.85 1l8y h ALA 57 Cb 0.89 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1l8y h ALA 57 CO 0.00 1.09 -0.78 1.49 0.00 0.00 0.00 179.25 181.05 1l8y h GLU 58 N 0.04 0.00 0.00 0.00 4.81 0.17 -2.95 114.58 116.65 1l8y h GLU 58 Ca -0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1l8y h GLU 58 Cb 1.89 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 1l8y h GLU 58 CO 0.17 0.78 -0.53 -0.44 -0.73 0.00 0.00 179.01 178.26 1l8y h ASP 59 N 0.00 0.00 -0.01 1.04 3.32 -1.22 -3.27 116.42 116.28 1l8y h ASP 59 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1l8y h ASP 59 Cb 1.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1l8y h ASP 59 CO 0.10 0.27 0.08 -0.61 -1.72 0.00 0.00 179.24 177.36 1l8y h GLN 60 N 0.00 0.00 -0.36 3.56 4.15 0.19 -1.26 115.11 121.39 1l8y h GLN 60 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.50 1l8y h GLN 60 Cb 1.23 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1l8y h GLN 60 CO 0.03 0.00 0.26 0.87 -1.93 0.00 0.00 178.83 178.06 1l8y h LYS 61 N 0.00 0.02 -0.09 1.69 1.79 -1.68 0.32 116.57 118.62 1l8y h LYS 61 Ca 0.00 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 1l8y h LYS 61 Cb 0.16 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1l8y h LYS 61 CO -0.00 0.01 -0.34 0.00 -1.08 0.00 0.00 179.45 178.04 1l8y h ARG 62 N 0.02 0.18 0.00 3.15 3.08 -1.50 -2.12 114.38 117.19 1l8y h ARG 62 Ca 0.17 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 1l8y h ARG 62 Cb 0.66 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1l8y h ARG 62 CO -0.01 0.51 -2.14 0.66 -1.07 0.00 0.00 179.97 177.93 1l8y n TYR 63 N -4.09 0.00 1.06 3.04 4.01 -0.21 -4.25 117.16 116.71 1l8y n TYR 63 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 1l8y n TYR 63 Cb 0.42 -0.68 0.49 0.00 -0.31 0.00 0.00 39.34 39.25 1l8y n TYR 63 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1l8y n GLU 64 N -2.44 0.10 0.14 -0.72 4.71 0.96 -2.94 120.64 120.45 1l8y n GLU 64 Ca -0.15 -0.03 0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1l8y n GLU 64 Cb 0.79 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.77 1l8y n GLU 64 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1l8y h ARG 65 N 0.08 0.00 0.14 3.49 9.65 -1.56 -3.28 114.38 122.91 1l8y h ARG 65 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1l8y h ARG 65 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1l8y h ARG 65 CO 0.00 0.09 -0.07 0.93 2.80 0.00 0.00 179.97 183.72 1l8y h GLU 66 N 0.00 -0.18 0.15 0.20 4.39 -1.75 -2.21 114.58 115.17 1l8y h GLU 66 Ca -0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1l8y h GLU 66 Cb 1.12 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1l8y h GLU 66 CO 0.01 0.26 -0.07 1.37 -1.16 0.00 0.00 179.01 179.42 1l8y h LEU 67 N -0.86 -0.17 -2.07 1.33 8.10 -1.73 -2.37 115.31 117.54 1l8y h LEU 67 Ca -0.02 -0.04 -0.00 0.00 0.11 0.00 0.00 57.88 57.93 1l8y h LEU 67 Cb 0.53 0.04 -0.00 0.00 -0.44 0.00 0.00 40.66 40.80 1l8y h LEU 67 CO 0.03 -0.08 -0.02 -1.28 -4.11 0.00 0.00 178.44 172.98 1l8y h SER 68 N -0.25 0.00 -0.01 0.17 0.87 -1.70 1.64 113.55 114.27 1l8y h SER 68 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1l8y h SER 68 Cb 0.20 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1l8y h SER 68 CO 0.03 0.02 0.06 -0.33 -0.53 0.00 0.00 176.83 176.08 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 5.08 -0.84 0.12 114.58 121.18 1l8y h GLU 69 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l8y h GLU 69 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1l8y h GLU 69 CO 0.00 0.00 -0.80 1.98 -1.00 0.00 0.00 179.01 179.19 1l8y h MET 70 N 0.00 0.00 -0.95 2.33 4.05 -1.15 -3.34 114.93 115.88 1l8y h MET 70 Ca 0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1l8y h MET 70 Cb 0.12 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.84 1l8y h MET 70 CO -0.00 0.00 0.17 0.54 0.23 0.00 0.00 176.91 177.85 1l8y n ARG 71 N -2.60 1.83 -2.69 0.39 1.74 0.41 -4.07 116.66 111.66 1l8y n ARG 71 Ca 0.01 -1.17 -0.07 0.00 -0.77 0.00 0.00 57.85 55.85 1l8y n ARG 71 Cb 0.52 -1.57 0.10 0.00 -1.02 0.00 0.00 32.46 30.49 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1l8y n ALA 72 N -0.01 1.87 -0.09 7.54 0.00 -1.25 -4.98 120.51 123.59 1l8y n ALA 72 Ca 0.19 -1.75 -0.07 0.00 0.00 0.00 0.00 53.44 51.81 1l8y n ALA 72 Cb 0.84 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1l8y n ALA 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1l8y h PRO 73 N 2.21 0.22 -1.44 0.00 0.11 -1.81 -2.28 132.00 129.00 1l8y h PRO 73 Ca -0.24 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.41 1l8y h PRO 73 Cb 1.27 -0.05 -0.19 0.00 0.11 0.00 0.00 31.00 32.14 1l8y h PRO 73 CO 0.07 0.14 0.56 -0.35 -0.21 0.00 0.00 178.00 178.21 1l8y n PRO 74 N -5.05 2.13 -1.18 1.05 -0.04 -1.26 -4.58 135.00 126.08 1l8y n PRO 74 Ca 0.00 -2.17 -0.28 0.00 -0.04 0.00 0.00 63.50 61.02 1l8y n PRO 74 Cb 0.12 -1.87 0.08 0.00 -0.04 0.00 0.00 33.50 31.80 1l8y n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l8y n ALA 75 N 0.03 5.85 -1.80 0.55 0.00 -0.86 -4.33 120.51 119.95 1l8y n ALA 75 Ca 0.41 -2.87 0.00 0.00 0.00 0.00 0.00 53.44 50.99 1l8y n ALA 75 Cb 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1l8y n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y n ALA 76 N -0.61 0.00 -0.10 0.00 0.00 -1.26 -4.92 120.51 113.62 1l8y n ALA 76 Ca 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1l8y n ALA 76 Cb 0.78 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.28 1l8y n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1l8y n THR 77 N 0.00 2.04 0.11 0.00 -2.24 -1.26 -3.60 114.28 109.33 1l8y n THR 77 Ca 0.00 -0.91 0.02 0.00 -2.27 0.00 0.00 64.05 60.89 1l8y n THR 77 Cb 0.00 -0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 67.24 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1l8y n ASN 78 N 0.08 1.84 0.00 3.42 4.13 -1.26 -4.60 115.26 118.87 1l8y n ASN 78 Ca 0.23 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1l8y n ASN 78 Cb 0.84 1.08 0.00 0.00 -1.54 0.00 0.00 39.78 40.16 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1l8y n SER 79 N -1.33 0.00 0.00 6.41 2.88 -1.24 -4.71 113.62 115.63 1l8y n SER 79 Ca 0.00 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1l8y n SER 79 Cb 0.08 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1l8y n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1l8y n SER 80 N -1.46 0.00 0.00 -3.46 3.41 -1.26 -5.06 113.62 105.79 1l8y n SER 80 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1l8y n SER 80 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1l8y n SER 80 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1l8y n LYS 81 N 0.00 0.00 -1.02 4.33 3.00 -1.26 -1.83 118.16 121.37 1l8y n LYS 81 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1l8y n LYS 81 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.22 1l8y n LYS 81 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1l8y n LYS 82 N 0.00 0.14 -1.37 1.64 -0.00 -1.26 -5.10 118.16 112.21 1l8y n LYS 82 Ca 0.00 -0.47 0.18 0.00 -0.00 0.00 0.00 58.31 58.03 1l8y n LYS 82 Cb 0.00 0.43 -0.05 0.00 -0.00 0.00 0.00 35.03 35.41 1l8y n LYS 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1l8y n LEU 83 N -0.16 -0.70 0.00 -5.58 4.77 -0.76 -5.31 117.00 109.26 1l8y n LEU 83 Ca -0.11 1.54 0.01 0.00 -0.03 0.00 0.00 56.01 57.42 1l8y n LEU 83 Cb 0.50 -4.22 0.08 0.00 -2.33 0.00 0.00 43.42 37.45 1l8y n LEU 83 CO -0.06 -3.54 0.32 1.21 -1.33 0.00 0.00 177.39 173.99