#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 -2.64 -3.02 1.61 0.00 0.42 -4.79 118.16 109.74 1l8y n LYS 2 Ca 0.00 0.28 -0.15 0.00 -0.00 0.00 0.00 58.31 58.44 1l8y n LYS 2 Cb 0.00 -4.83 0.01 0.00 -0.00 0.00 0.00 35.03 30.21 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1l8y n LEU 3 N -2.67 -0.46 -4.58 -5.58 4.77 -1.07 -4.73 117.00 102.66 1l8y n LEU 3 Ca -0.07 -4.47 -0.43 0.00 -0.03 0.00 0.00 56.01 51.02 1l8y n LEU 3 Cb 0.55 0.79 -0.03 0.00 -2.33 0.00 0.00 43.42 42.39 1l8y n LEU 3 CO 0.09 2.18 0.83 -2.16 -1.33 0.00 0.00 177.39 177.00 1l8y s PRO 4 N -1.26 3.65 0.25 3.23 0.04 -1.26 -4.83 135.00 134.81 1l8y s PRO 4 Ca 0.33 0.35 0.12 0.00 0.04 0.00 0.00 61.00 61.85 1l8y s PRO 4 Cb 0.30 -3.90 0.19 0.00 0.04 0.00 0.00 34.50 31.14 1l8y s PRO 4 CO -0.08 -1.21 1.50 1.05 0.04 0.00 0.00 177.00 178.30 1l8y h GLU 5 N 8.99 0.00 -5.00 4.56 4.11 -1.94 -3.48 114.58 121.83 1l8y h GLU 5 Ca -0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.12 1l8y h GLU 5 Cb 1.07 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.38 1l8y h GLU 5 CO 1.05 0.67 -0.26 0.43 0.07 0.00 0.00 179.01 180.96 1l8y n SER 6 N -3.49 -6.48 -3.93 3.06 7.64 -1.26 -5.04 113.62 104.12 1l8y n SER 6 Ca -0.00 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1l8y n SER 6 Cb 0.72 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1l8y n PRO 7 N -2.12 1.15 -2.54 1.43 -0.02 -1.26 -5.04 135.00 126.61 1l8y n PRO 7 Ca -0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.43 1l8y n PRO 7 Cb 0.54 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.12 1l8y n PRO 7 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1l8y n LYS 8 N 0.00 1.06 0.00 -0.52 0.00 -1.25 -4.99 118.16 112.46 1l8y n LYS 8 Ca 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 58.31 57.12 1l8y n LYS 8 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 35.03 35.24 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 -1.02 0.00 0.00 -1.58 5.12 0.33 -4.02 116.66 115.50 1l8y n ARG 9 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1l8y n ARG 9 Cb 0.81 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.11 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 7.50 0.00 -0.23 7.54 0.00 -1.01 0.54 120.51 134.85 1l8y n ALA 10 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1l8y n ALA 10 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 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 0.03 0.00 5.08 -1.71 -2.13 114.58 115.85 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l8y h GLU 11 CO 0.00 0.00 -0.01 1.49 -1.00 0.00 0.00 179.01 179.49 1l8y h GLU 12 N 0.00 -0.03 -0.20 2.33 4.57 0.65 -2.32 114.58 119.58 1l8y h GLU 12 Ca 0.51 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.74 1l8y h GLU 12 Cb 2.93 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 31.46 1l8y h GLU 12 CO -0.01 -0.02 -0.29 0.97 -1.18 0.00 0.00 179.01 178.48 1l8y h ILE 13 N -0.17 0.32 -0.03 2.32 6.09 0.14 -2.83 117.51 123.36 1l8y h ILE 13 Ca -0.00 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 1l8y h ILE 13 Cb 0.03 0.32 0.00 0.00 0.47 0.00 0.00 36.82 37.64 1l8y h ILE 13 CO 0.01 0.00 -0.17 -0.25 -3.07 0.00 0.00 178.15 174.66 1l8y h TRP 14 N -0.32 0.23 0.00 2.19 7.01 -1.62 -2.45 115.95 120.99 1l8y h TRP 14 Ca 0.12 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 61.02 1l8y h TRP 14 Cb 0.51 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 1l8y h TRP 14 CO -0.41 0.82 -0.26 0.37 -2.79 0.00 0.00 178.44 176.16 1l8y h GLN 15 N -0.42 -0.32 -0.70 2.65 5.75 -1.39 0.19 115.11 120.87 1l8y h GLN 15 Ca -0.01 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.69 1l8y h GLN 15 Cb 0.84 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 1l8y h GLN 15 CO 0.04 -0.21 0.49 1.96 -2.65 0.00 0.00 178.83 178.45 1l8y h GLN 16 N -0.33 0.16 -0.53 1.69 1.08 -1.65 1.32 115.11 116.84 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 0.35 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1l8y h GLN 16 CO -0.17 0.10 0.16 1.03 -0.95 0.00 0.00 178.83 179.00 1l8y h SER 17 N 0.16 0.78 0.00 1.46 0.87 -0.36 -3.38 113.55 113.08 1l8y h SER 17 Ca 0.34 -0.21 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 1l8y h SER 17 Cb 1.11 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1l8y h SER 17 CO -0.05 0.78 -1.60 1.33 -0.53 0.00 0.00 176.83 176.76 1l8y n VAL 18 N -4.46 0.59 -0.37 2.23 0.24 0.44 -4.67 118.33 112.33 1l8y n VAL 18 Ca 0.02 -0.20 0.31 0.00 -2.04 0.00 0.00 64.34 62.44 1l8y n VAL 18 Cb 0.20 -1.16 0.53 0.00 -1.47 0.00 0.00 33.84 31.94 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 -3.06 -0.19 -0.04 1.34 3.06 0.44 0.26 119.36 121.17 1l8y n ILE 19 Ca -0.19 1.39 -0.01 0.00 -2.50 0.00 0.00 62.75 61.44 1l8y n ILE 19 Cb 0.68 -2.29 0.26 0.00 0.54 0.00 0.00 39.64 38.83 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 0.65 1.18 4.50 0.00 -1.73 1.10 103.07 108.78 1l8y h GLY 20 Ca 0.68 -0.39 -0.28 0.00 0.00 0.00 0.00 47.33 47.35 1l8y h GLY 20 CO -0.36 0.36 -1.57 -1.80 0.00 0.00 0.00 176.54 173.18 1l8y h ASP 21 N 0.58 0.02 0.54 0.19 1.82 0.32 -2.44 116.42 117.45 1l8y h ASP 21 Ca 0.12 -0.04 -0.19 0.00 -0.39 0.00 0.00 57.03 56.53 1l8y h ASP 21 Cb 0.34 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1l8y h ASP 21 CO 0.01 1.04 -0.83 1.88 -1.61 0.00 0.00 179.24 179.72 1l8y h TYR 22 N 0.00 0.31 0.00 0.28 0.05 -0.65 -2.55 116.97 114.41 1l8y h TYR 22 Ca -0.23 -0.16 -0.15 0.00 0.05 0.00 0.00 58.73 58.24 1l8y h TYR 22 Cb 1.97 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 39.65 1l8y h TYR 22 CO 0.00 0.95 -0.75 -0.07 -1.05 0.00 0.00 178.16 177.25 1l8y h LEU 23 N 0.12 0.00 -0.78 3.88 3.38 0.11 -3.29 115.31 118.75 1l8y h LEU 23 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1l8y h LEU 23 Cb 1.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1l8y h LEU 23 CO 0.13 0.70 -0.38 0.00 0.09 0.00 0.00 178.44 178.98 1l8y h ALA 24 N 1.30 0.95 0.15 1.53 0.00 -1.30 0.20 119.26 122.08 1l8y h ALA 24 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1l8y h ALA 24 Cb 1.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1l8y h ALA 24 CO 0.09 0.62 -0.19 0.07 0.00 0.00 0.00 179.25 179.84 1l8y h ARG 25 N 0.40 -0.34 0.00 0.00 0.11 -1.52 -3.24 114.38 109.79 1l8y h ARG 25 Ca 0.04 0.02 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 1l8y h ARG 25 Cb 0.85 0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.98 1l8y h ARG 25 CO 0.07 -0.22 -0.95 0.27 0.10 0.00 0.00 179.97 179.23 1l8y h PHE 26 N -0.35 0.00 -2.96 4.08 -5.15 -1.75 -3.50 116.94 107.31 1l8y h PHE 26 Ca -0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.75 1l8y h PHE 26 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.48 1l8y h PHE 26 CO -0.20 0.42 0.00 1.17 -2.00 0.00 0.00 178.31 177.70 1l8y n LYS 27 N -2.98 0.00 -1.41 6.09 0.00 0.03 -4.70 118.16 115.19 1l8y n LYS 27 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 58.31 58.77 1l8y n LYS 27 Cb 0.74 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.45 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 -0.33 -1.24 -0.48 3.14 4.05 -1.03 -4.95 115.26 114.43 1l8y n ASN 28 Ca 0.00 0.00 0.05 0.00 0.45 0.00 0.00 54.58 55.08 1l8y n ASN 28 Cb 0.00 -0.41 0.13 0.00 1.23 0.00 0.00 39.78 40.73 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1l8y n ASP 29 N 1.62 2.80 0.00 1.20 2.03 -1.26 -4.83 116.55 118.11 1l8y n ASP 29 Ca 0.00 -2.24 0.00 0.00 0.52 0.00 0.00 54.79 53.07 1l8y n ASP 29 Cb 0.30 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1l8y n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1l8y n ARG 30 N -0.05 0.00 -0.57 -0.67 0.63 -1.26 -0.76 116.66 113.99 1l8y n ARG 30 Ca 0.11 0.00 0.45 0.00 -0.92 0.00 0.00 57.85 57.49 1l8y n ARG 30 Cb 0.47 0.00 0.72 0.00 0.45 0.00 0.00 32.46 34.11 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1l8y n VAL 31 N -2.51 -0.14 0.00 5.15 0.31 -1.26 0.29 118.33 120.18 1l8y n VAL 31 Ca 0.00 1.62 -0.15 0.00 -0.01 0.00 0.00 64.34 65.81 1l8y n VAL 31 Cb 0.00 -2.68 -0.14 0.00 -0.91 0.00 0.00 33.84 30.11 1l8y n VAL 31 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1l8y h LYS 32 N 0.00 0.14 0.41 5.55 1.79 -1.34 -3.37 116.57 119.75 1l8y h LYS 32 Ca 0.89 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 59.12 1l8y h LYS 32 Cb 3.18 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 33.90 1l8y h LYS 32 CO -0.26 0.86 -0.40 0.00 -1.08 0.00 0.00 179.45 178.57 1l8y h ALA 33 N 0.57 -0.88 -1.06 3.86 0.00 0.43 -1.50 119.26 120.67 1l8y h ALA 33 Ca -0.33 -0.14 0.30 0.00 0.00 0.00 0.00 54.91 54.73 1l8y h ALA 33 Cb 2.02 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 20.27 1l8y h ALA 33 CO 0.09 -1.04 0.65 1.25 0.00 0.00 0.00 179.25 180.21 1l8y h LEU 34 N -0.83 0.50 0.19 0.00 6.46 -0.97 0.10 115.31 120.77 1l8y h LEU 34 Ca -0.04 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1l8y h LEU 34 Cb 0.74 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1l8y h LEU 34 CO -0.06 -0.00 -0.09 0.11 -0.62 0.00 0.00 178.44 177.77 1l8y h LYS 35 N 0.38 -0.25 -0.86 1.25 1.79 -1.57 0.94 116.57 118.26 1l8y h LYS 35 Ca 0.67 0.02 0.25 0.00 -2.18 0.00 0.00 60.65 59.41 1l8y h LYS 35 Cb 1.62 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 32.30 1l8y h LYS 35 CO -0.44 0.14 0.66 0.00 -1.08 0.00 0.00 179.45 178.74 1l8y h ALA 36 N -0.16 2.77 0.03 3.86 0.00 -0.19 0.79 119.26 126.37 1l8y h ALA 36 Ca -0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1l8y h ALA 36 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1l8y h ALA 36 CO 0.04 -1.10 -0.36 1.98 0.00 0.00 0.00 179.25 179.81 1l8y h MET 37 N 0.00 0.07 -0.88 0.00 1.85 -0.78 -2.52 114.93 112.68 1l8y h MET 37 Ca 0.41 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.36 1l8y h MET 37 Cb 1.72 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 33.76 1l8y h MET 37 CO -0.00 1.06 0.49 1.49 -0.40 0.00 0.00 176.91 179.55 1l8y h GLU 38 N -0.84 1.22 -0.14 0.39 4.81 0.36 -2.52 114.58 117.87 1l8y h GLU 38 Ca -0.08 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 1l8y h GLU 38 Cb 1.20 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1l8y h GLU 38 CO 0.01 0.88 -0.11 0.52 -0.73 0.00 0.00 179.01 179.59 1l8y h MET 39 N 1.23 0.32 -0.24 1.92 2.86 0.33 0.08 114.93 121.43 1l8y h MET 39 Ca 0.31 -0.16 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1l8y h MET 39 Cb 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1l8y h MET 39 CO -0.05 0.69 0.29 1.15 1.06 0.00 0.00 176.91 180.04 1l8y h THR 40 N -0.05 0.39 0.05 2.22 2.02 -1.21 0.93 112.91 117.25 1l8y h THR 40 Ca 0.02 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.85 1l8y h THR 40 Cb 0.62 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1l8y h THR 40 CO 0.03 0.00 -2.00 1.87 0.37 0.00 0.00 175.52 175.79 1l8y n TRP 41 N -3.68 0.73 0.04 3.16 -0.00 -0.97 -4.34 117.44 112.38 1l8y n TRP 41 Ca 0.03 0.21 -0.20 0.00 -0.00 0.00 0.00 57.50 57.54 1l8y n TRP 41 Cb 0.42 -1.09 -0.10 0.00 -0.00 0.00 0.00 31.31 30.54 1l8y n TRP 41 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1l8y h ASN 42 N -0.40 0.92 -0.46 5.87 -0.73 -0.44 -3.13 115.58 117.22 1l8y h ASN 42 Ca -0.49 -0.73 0.13 0.00 1.87 0.00 0.00 56.30 57.09 1l8y h ASN 42 Cb 1.75 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 40.04 1l8y h ASN 42 CO -0.11 1.53 0.48 -0.55 -0.37 0.00 0.00 177.43 178.41 1l8y h ASN 43 N 0.41 0.00 0.00 1.15 -0.00 0.68 -3.32 115.58 114.50 1l8y h ASN 43 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.17 1l8y h ASN 43 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.00 1l8y h ASN 43 CO 0.20 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.43 1l8y n MET 44 N -3.72 0.00 -2.70 4.14 1.56 -1.18 -5.08 117.12 110.13 1l8y n MET 44 Ca 0.08 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.51 1l8y n MET 44 Cb 0.67 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.04 1l8y n MET 44 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 1l8y n GLU 45 N 0.00 0.00 0.19 2.12 0.28 -1.24 -4.91 120.64 117.08 1l8y n GLU 45 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1l8y n GLU 45 Cb 0.00 0.00 0.50 0.00 1.43 0.00 0.00 31.44 33.37 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1l8y h LYS 46 N 0.00 0.00 0.00 3.44 3.64 -1.95 -2.13 116.57 119.57 1l8y h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1l8y h LYS 46 CO 0.00 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.35 1l8y n LYS 47 N -2.99 0.00 0.13 1.90 0.00 -1.26 -3.13 118.16 112.81 1l8y n LYS 47 Ca 0.05 0.40 -0.05 0.00 0.00 0.00 0.00 58.31 58.70 1l8y n LYS 47 Cb 0.80 -1.34 -0.03 0.00 0.00 0.00 0.00 35.03 34.47 1l8y n LYS 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1l8y h GLU 48 N 0.00 -0.34 0.00 1.64 4.39 -1.72 -2.98 114.58 115.57 1l8y h GLU 48 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1l8y h GLU 48 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1l8y h GLU 48 CO 0.00 -0.23 0.00 1.63 -1.16 0.00 0.00 179.01 179.25 1l8y n LYS 49 N -3.26 0.00 -0.32 2.33 5.02 -0.85 0.18 118.16 121.27 1l8y n LYS 49 Ca -0.04 0.45 0.15 0.00 -2.02 0.00 0.00 58.31 56.84 1l8y n LYS 49 Cb 0.14 -0.81 0.34 0.00 -0.02 0.00 0.00 35.03 34.67 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 0.44 -1.06 -0.35 -0.00 -1.72 0.10 115.31 112.72 1l8y h LEU 50 Ca 0.00 0.15 -0.10 0.00 -0.00 0.00 0.00 57.88 57.93 1l8y h LEU 50 Cb 0.00 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.75 1l8y h LEU 50 CO 0.00 0.02 -0.46 0.24 -0.00 0.00 0.00 178.44 178.24 1l8y h MET 51 N 0.45 0.00 -0.36 1.13 2.86 -0.90 -2.57 114.93 115.53 1l8y h MET 51 Ca 0.59 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.18 1l8y h MET 51 Cb 1.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1l8y h MET 51 CO -0.52 0.46 0.01 -1.49 1.06 0.00 0.00 176.91 176.43 1l8y h TRP 52 N 0.00 0.58 0.47 -0.22 4.06 0.18 -2.01 115.95 119.01 1l8y h TRP 52 Ca -0.00 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.87 1l8y h TRP 52 Cb 0.84 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.83 1l8y h TRP 52 CO 0.00 0.56 -0.30 0.82 -3.56 0.00 0.00 178.44 175.96 1l8y h ILE 53 N 0.54 0.00 -0.56 1.49 1.08 -1.21 -2.83 117.51 116.01 1l8y h ILE 53 Ca 0.12 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.72 1l8y h ILE 53 Cb 0.33 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 1l8y h ILE 53 CO 0.01 0.00 0.39 0.50 -0.69 0.00 0.00 178.15 178.36 1l8y h LYS 54 N -0.72 0.19 0.04 2.37 3.64 -1.40 2.49 116.57 123.18 1l8y h LYS 54 Ca -0.06 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1l8y h LYS 54 Cb 0.58 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1l8y h LYS 54 CO 0.06 0.12 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.11 1l8y h LYS 55 N 0.19 -0.06 0.00 1.90 3.64 -1.24 2.10 116.57 123.11 1l8y h LYS 55 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1l8y h LYS 55 Cb 0.80 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1l8y h LYS 55 CO -0.05 -0.04 -0.41 0.00 -2.27 0.00 0.00 179.45 176.68 1l8y h ALA 56 N 0.89 0.77 0.00 5.00 0.00 -1.16 -2.44 119.26 122.33 1l8y h ALA 56 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1l8y h ALA 56 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1l8y h ALA 56 CO 0.00 0.00 -0.93 0.00 0.00 0.00 0.00 179.25 178.32 1l8y h ALA 57 N 2.18 0.47 0.00 0.00 0.00 0.48 1.01 119.26 123.41 1l8y h ALA 57 Ca 0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 54.91 53.93 1l8y h ALA 57 Cb 0.91 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1l8y h ALA 57 CO 0.00 1.14 -0.66 1.49 0.00 0.00 0.00 179.25 181.22 1l8y h GLU 58 N 0.00 0.00 0.02 0.00 4.81 0.34 -2.68 114.58 117.09 1l8y h GLU 58 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1l8y h GLU 58 Cb 1.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1l8y h GLU 58 CO 0.12 0.66 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.61 1l8y h ASP 59 N 0.00 -0.03 -0.43 1.04 5.19 -1.09 -3.29 116.42 117.82 1l8y h ASP 59 Ca -0.01 -0.66 0.13 0.00 -0.62 0.00 0.00 57.03 55.86 1l8y h ASP 59 Cb 1.36 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 1l8y h ASP 59 CO 0.09 0.77 0.35 0.06 -3.12 0.00 0.00 179.24 177.39 1l8y h GLN 60 N -0.94 0.00 -1.05 3.56 -0.00 0.10 0.56 115.11 117.34 1l8y h GLN 60 Ca -0.00 0.00 0.28 0.00 -0.00 0.00 0.00 58.65 58.92 1l8y h GLN 60 Cb 0.69 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 28.06 1l8y h GLN 60 CO 0.01 0.00 0.65 -0.22 -0.00 0.00 0.00 178.83 179.27 1l8y h LYS 61 N 0.00 0.42 -0.15 0.06 1.63 -1.54 0.95 116.57 117.94 1l8y h LYS 61 Ca 0.21 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.82 1l8y h LYS 61 Cb 0.91 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 1l8y h LYS 61 CO -0.00 0.28 -0.57 0.00 -3.45 0.00 0.00 179.45 175.70 1l8y h ARG 62 N 0.43 0.48 -0.80 1.90 3.08 -1.05 -3.06 114.38 115.37 1l8y h ARG 62 Ca 0.64 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 1l8y h ARG 62 Cb 1.50 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.56 1l8y h ARG 62 CO -0.38 0.92 0.39 0.10 -1.07 0.00 0.00 179.97 179.92 1l8y h TYR 63 N 0.36 1.13 -0.02 3.04 -0.00 0.83 -1.30 116.97 121.02 1l8y h TYR 63 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 58.73 58.70 1l8y h TYR 63 Cb 1.11 -0.35 -0.04 0.00 0.00 0.00 0.00 36.73 37.45 1l8y h TYR 63 CO 0.04 0.81 -0.34 1.49 -0.00 0.00 0.00 178.16 180.17 1l8y h GLU 64 N 1.13 -0.39 -1.00 0.10 4.81 -1.09 0.30 114.58 118.45 1l8y h GLU 64 Ca 0.28 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1l8y h GLU 64 Cb 0.10 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1l8y h GLU 64 CO -0.04 -0.26 0.66 0.00 -0.73 0.00 0.00 179.01 178.65 1l8y h ARG 65 N -0.40 1.30 -0.73 1.92 -0.00 -1.62 0.73 114.38 115.58 1l8y h ARG 65 Ca 0.01 -0.08 0.16 0.00 -0.50 0.00 0.00 59.98 59.57 1l8y h ARG 65 Cb 0.44 -0.29 -0.11 0.00 0.00 0.00 0.00 29.97 30.01 1l8y h ARG 65 CO -0.24 0.86 0.17 0.93 0.00 0.00 0.00 179.97 181.70 1l8y h GLU 66 N 1.34 0.26 -0.02 0.04 3.07 -0.22 0.90 114.58 119.95 1l8y h GLU 66 Ca 0.37 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 1l8y h GLU 66 Cb -0.13 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1l8y h GLU 66 CO -0.09 0.17 -0.21 1.25 -1.40 0.00 0.00 179.01 178.74 1l8y h LEU 67 N 0.27 0.22 -1.06 1.33 6.46 0.62 1.32 115.31 124.46 1l8y h LEU 67 Ca 0.41 -0.72 0.34 0.00 -0.12 0.00 0.00 57.88 57.78 1l8y h LEU 67 Cb 0.69 -0.06 -0.15 0.00 -0.73 0.00 0.00 40.66 40.40 1l8y h LEU 67 CO -0.50 0.91 0.60 -1.28 -0.62 0.00 0.00 178.44 177.55 1l8y h SER 68 N -0.46 0.47 0.73 1.25 0.87 0.21 1.01 113.55 117.65 1l8y h SER 68 Ca -0.02 0.19 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 1l8y h SER 68 Cb 0.92 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 1l8y h SER 68 CO 0.04 -0.16 -1.39 -0.33 -0.53 0.00 0.00 176.83 174.47 1l8y h GLU 69 N 0.28 0.00 0.00 2.24 5.08 0.80 -3.34 114.58 119.64 1l8y h GLU 69 Ca 0.75 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.08 1l8y h GLU 69 Cb 1.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.05 1l8y h GLU 69 CO -0.59 0.40 -0.11 1.98 -1.00 0.00 0.00 179.01 179.70 1l8y h MET 70 N 0.00 0.00 -0.78 2.33 4.05 0.41 -1.82 114.93 119.13 1l8y h MET 70 Ca -0.17 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 58.97 1l8y h MET 70 Cb 1.69 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 32.33 1l8y h MET 70 CO 0.06 0.11 0.34 -2.13 0.23 0.00 0.00 176.91 175.52 1l8y n ARG 71 N -4.08 3.35 -2.70 0.39 0.63 -0.20 -4.44 116.66 109.60 1l8y n ARG 71 Ca -0.02 -3.08 -0.07 0.00 -0.92 0.00 0.00 57.85 53.75 1l8y n ARG 71 Cb 0.19 -2.20 0.12 0.00 0.45 0.00 0.00 32.46 31.02 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l8y n ALA 72 N -0.41 0.97 -0.12 5.13 0.00 -0.69 -5.00 120.51 120.40 1l8y n ALA 72 Ca 0.45 -1.30 -0.05 0.00 0.00 0.00 0.00 53.44 52.53 1l8y n ALA 72 Cb 1.44 -1.02 0.03 0.00 0.00 0.00 0.00 19.45 19.90 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 2.11 0.27 -0.97 0.00 0.11 -1.77 -1.71 132.00 130.05 1l8y h PRO 73 Ca -0.26 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.52 1l8y h PRO 73 Cb 1.28 -0.06 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 1l8y h PRO 73 CO -0.05 0.18 0.39 -0.35 -0.21 0.00 0.00 178.00 177.97 1l8y n PRO 74 N -5.03 2.02 0.00 1.05 -0.04 -1.26 -4.60 135.00 127.14 1l8y n PRO 74 Ca 0.02 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1l8y n PRO 74 Cb 0.15 -1.81 0.00 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 -0.49 0.00 -2.55 0.55 0.00 -0.64 -5.01 120.51 112.37 1l8y n ALA 75 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 1l8y n ALA 75 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.70 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 -1.71 -3.31 -1.15 0.00 0.00 -1.26 -3.95 120.51 109.13 1l8y n ALA 76 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 53.44 53.97 1l8y n ALA 76 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 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 0.34 0.00 -2.41 0.00 -2.24 -1.26 -4.85 114.28 103.86 1l8y n THR 77 Ca 0.03 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.85 1l8y n THR 77 Cb 0.10 -0.81 0.04 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.33 1.05 -0.12 3.42 4.13 -1.25 -4.60 115.26 118.23 1l8y n ASN 78 Ca -0.05 -2.17 -0.25 0.00 1.68 0.00 0.00 54.58 53.78 1l8y n ASN 78 Cb 0.23 -0.32 -0.11 0.00 -1.54 0.00 0.00 39.78 38.04 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 0.34 1.92 -0.02 6.41 2.88 -1.26 -4.69 113.62 119.20 1l8y n SER 79 Ca 0.07 0.36 0.01 0.00 -1.33 0.00 0.00 58.87 57.98 1l8y n SER 79 Cb 1.10 -0.88 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 1l8y n SER 79 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1l8y n SER 80 N -4.28 2.49 -2.45 -3.46 2.88 -1.26 -5.07 113.62 102.47 1l8y n SER 80 Ca -0.42 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.08 1l8y n SER 80 Cb 0.79 1.17 0.00 0.00 -0.75 0.00 0.00 64.21 65.43 1l8y n SER 80 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1l8y n LYS 81 N -2.10 -1.37 -1.16 -1.46 4.81 -1.26 -4.94 118.16 110.69 1l8y n LYS 81 Ca -0.08 1.45 -0.18 0.00 -0.87 0.00 0.00 58.31 58.63 1l8y n LYS 81 Cb 0.53 -4.32 0.22 0.00 0.02 0.00 0.00 35.03 31.48 1l8y n LYS 81 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1l8y n LYS 82 N -0.74 2.73 -2.39 1.64 -0.00 -1.26 -4.99 118.16 113.15 1l8y n LYS 82 Ca 0.05 -3.01 -0.01 0.00 -0.00 0.00 0.00 58.31 55.35 1l8y n LYS 82 Cb 0.37 -2.19 -0.01 0.00 -0.00 0.00 0.00 35.03 33.21 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 -0.81 -6.56 -0.02 -5.58 4.77 -1.26 -5.24 117.00 102.30 1l8y n LEU 83 Ca 0.53 2.81 0.16 0.00 -0.03 0.00 0.00 56.01 59.49 1l8y n LEU 83 Cb 1.58 -3.26 0.93 0.00 -2.33 0.00 0.00 43.42 40.34 1l8y n LEU 83 CO 0.55 -3.07 1.10 -0.62 -1.33 0.00 0.00 177.39 174.02