#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsx s LYS 2 N 0.00 4.42 0.00 0.00 3.01 -1.26 -4.72 119.74 121.19 1xsx s LYS 2 Ca 0.00 2.12 0.00 0.00 -1.01 0.00 0.00 55.97 57.08 1xsx s LYS 2 Cb 0.00 -3.10 0.00 0.00 -1.01 0.00 0.00 37.83 33.72 1xsx s LYS 2 CO 0.00 -0.10 0.00 1.17 0.51 0.00 0.00 175.35 176.93 1xsx n LYS 3 N 0.97 0.00 -3.34 1.68 4.81 -1.26 -5.06 118.16 115.96 1xsx n LYS 3 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1xsx n LYS 3 Cb 0.42 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.41 1xsx n LYS 3 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1xsx s LYS 4 N -1.35 0.66 0.00 1.64 1.02 -1.26 -3.75 119.74 116.70 1xsx s LYS 4 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1xsx s LYS 4 Cb 0.00 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.70 1xsx s LYS 4 CO 0.00 -1.19 0.00 0.45 -0.92 0.00 0.00 175.35 173.69 1xsx n SER 5 N 4.30 0.00 0.00 2.83 2.88 -1.26 -4.82 113.62 117.55 1xsx n SER 5 Ca 0.11 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1xsx n SER 5 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1xsx n SER 5 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xsx n LYS 6 N 0.00 0.00 -0.04 -1.46 4.81 -1.26 -4.91 118.16 115.31 1xsx n LYS 6 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1xsx n LYS 6 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1xsx n LYS 6 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1xsx n LEU 7 N -0.17 0.79 0.01 3.14 7.94 -1.26 -4.47 117.00 122.97 1xsx n LEU 7 Ca 0.00 0.21 -0.01 0.00 -1.11 0.00 0.00 56.01 55.11 1xsx n LEU 7 Cb 0.00 -0.62 -0.00 0.00 0.53 0.00 0.00 43.42 43.33 1xsx n LEU 7 CO 0.00 -0.43 0.06 -0.08 -1.11 0.00 0.00 177.39 175.84 1xsx h GLU 8 N -0.42 -0.04 -0.66 1.96 4.81 -1.94 -2.56 114.58 115.72 1xsx h GLU 8 Ca 0.00 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.47 1xsx h GLU 8 Cb 0.36 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.63 1xsx h GLU 8 CO 0.00 -0.03 0.21 1.51 -0.73 0.00 0.00 179.01 179.97 1xsx n ILE 9 N -2.69 -0.28 0.35 2.32 0.13 -1.26 0.28 119.36 118.21 1xsx n ILE 9 Ca -0.01 1.40 -0.17 0.00 -1.10 0.00 0.00 62.75 62.87 1xsx n ILE 9 Cb 0.02 -2.17 -0.09 0.00 -0.84 0.00 0.00 39.64 36.56 1xsx n ILE 9 CO 0.00 0.00 0.00 0.40 2.80 0.00 0.00 176.55 179.75 1xsx h ILE 10 N 0.00 0.37 -1.00 9.51 1.08 -1.78 -1.52 117.51 124.18 1xsx h ILE 10 Ca 0.49 -0.04 0.20 0.00 -0.39 0.00 0.00 64.86 65.13 1xsx h ILE 10 Cb 1.20 0.39 -0.11 0.00 -3.07 0.00 0.00 36.82 35.23 1xsx h ILE 10 CO -0.56 0.01 0.60 -0.61 -0.69 0.00 0.00 178.15 176.89 1xsx h GLN 11 N -0.87 0.71 -0.20 2.37 4.15 0.45 0.38 115.11 122.09 1xsx h GLN 11 Ca -0.09 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.22 1xsx h GLN 11 Cb 0.66 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1xsx h GLN 11 CO 0.14 0.47 -0.18 0.00 -1.93 0.00 0.00 178.83 177.33 1xsx h ALA 12 N 1.66 1.32 0.44 3.38 0.00 -0.77 -2.28 119.26 123.01 1xsx h ALA 12 Ca 0.59 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1xsx h ALA 12 Cb 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xsx h ALA 12 CO -0.40 0.46 -0.21 0.82 0.00 0.00 0.00 179.25 179.92 1xsx h ILE 13 N 0.31 0.42 -0.86 0.00 2.04 0.77 -1.79 117.51 118.39 1xsx h ILE 13 Ca 0.06 -0.53 0.11 0.00 1.00 0.00 0.00 64.86 65.50 1xsx h ILE 13 Cb 0.51 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1xsx h ILE 13 CO 0.03 0.07 0.56 -0.07 0.00 0.00 0.00 178.15 178.74 1xsx h LEU 14 N -0.96 0.73 -0.89 1.44 3.38 -1.39 -0.14 115.31 117.49 1xsx h LEU 14 Ca -0.06 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1xsx h LEU 14 Cb 0.57 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xsx h LEU 14 CO 0.10 0.42 -0.33 -0.33 0.09 0.00 0.00 178.44 178.39 1xsx h GLU 15 N 0.80 0.42 -0.34 1.13 5.08 -1.36 -2.10 114.58 118.21 1xsx h GLU 15 Ca 0.41 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1xsx h GLU 15 Cb 0.49 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xsx h GLU 15 CO -0.17 0.70 -0.23 0.00 -1.00 0.00 0.00 179.01 178.31 1xsx h ALA 16 N 1.29 0.97 0.00 3.43 0.00 -0.13 -2.13 119.26 122.70 1xsx h ALA 16 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xsx h ALA 16 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xsx h ALA 16 CO 0.06 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1xsx n LYS 18 N -1.91 0.00 -0.88 0.00 2.85 -0.80 -1.00 118.16 116.42 1xsx n LYS 18 Ca 0.05 0.08 -0.05 0.00 -1.05 0.00 0.00 58.31 57.34 1xsx n LYS 18 Cb 0.34 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 33.07 1xsx n LYS 18 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1xsx n SER 19 N -0.90 -0.75 -2.11 -5.58 2.88 -1.25 -4.83 113.62 101.09 1xsx n SER 19 Ca 0.00 -1.76 -0.03 0.00 -1.33 0.00 0.00 58.87 55.75 1xsx n SER 19 Cb 0.10 0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.76 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xsx n GLY 20 N 0.00 -4.38 3.13 0.46 0.00 -0.70 -5.01 105.19 98.69 1xsx n GLY 20 Ca -0.21 0.83 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 1xsx n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsx s SER 21 N -0.39 -0.33 1.00 1.61 0.01 0.34 -4.86 113.70 111.09 1xsx s SER 21 Ca -0.16 0.61 -0.14 0.00 1.31 0.00 0.00 55.95 57.57 1xsx s SER 21 Cb 0.01 0.52 0.07 0.00 0.21 0.00 0.00 66.02 66.83 1xsx s SER 21 CO 0.43 -0.16 0.33 -2.65 0.41 0.00 0.00 173.24 171.60 1xsx n PRO 22 N 3.97 -0.72 0.28 12.44 -0.02 -1.26 -2.40 135.00 147.28 1xsx n PRO 22 Ca -0.22 -0.17 0.15 0.00 -2.02 0.00 0.00 63.50 61.23 1xsx n PRO 22 Cb 0.54 -1.84 0.88 0.00 -0.02 0.00 0.00 33.50 33.07 1xsx n PRO 22 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xsx h LYS 23 N -1.74 0.00 -0.43 -0.52 3.11 -1.96 -1.54 116.57 113.49 1xsx h LYS 23 Ca -0.47 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.25 1xsx h LYS 23 Cb 1.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1xsx h LYS 23 CO 0.36 0.00 -0.23 1.79 -2.81 0.00 0.00 179.45 178.56 1xsx h THR 24 N 0.00 1.27 0.00 1.00 1.35 -2.01 -2.59 112.91 111.93 1xsx h THR 24 Ca 0.02 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1xsx h THR 24 Cb 0.09 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1xsx h THR 24 CO -0.00 0.47 0.00 -1.14 -0.25 0.00 0.00 175.52 174.60 1xsx n ARG 25 N -4.17 0.03 0.13 4.72 0.00 -0.58 -0.06 116.66 116.72 1xsx n ARG 25 Ca -0.01 0.46 0.06 0.00 -0.00 0.00 0.00 57.85 58.36 1xsx n ARG 25 Cb 0.45 -1.59 0.03 0.00 0.00 0.00 0.00 32.46 31.36 1xsx n ARG 25 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1xsx h ILE 26 N 0.00 0.43 -0.66 5.15 2.04 -1.48 -3.29 117.51 119.70 1xsx h ILE 26 Ca 0.00 -1.67 0.03 0.00 1.00 0.00 0.00 64.86 64.22 1xsx h ILE 26 Cb 0.07 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 1xsx h ILE 26 CO 0.00 0.25 0.41 0.24 0.00 0.00 0.00 178.15 179.04 1xsx h MET 27 N 0.00 0.77 0.00 2.37 2.86 -0.54 0.52 114.93 120.92 1xsx h MET 27 Ca -0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xsx h MET 27 Cb 1.27 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1xsx h MET 27 CO 0.03 0.51 0.00 0.98 1.06 0.00 0.00 176.91 179.50 1xsx n TYR 28 N -4.70 0.00 -0.05 -0.22 9.36 -1.24 -0.74 117.16 119.56 1xsx n TYR 28 Ca 0.07 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.19 1xsx n TYR 28 Cb 0.09 -0.20 -0.15 0.00 -0.63 0.00 0.00 39.34 38.45 1xsx n TYR 28 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xsx n GLY 29 N -1.04 -0.96 3.26 2.98 0.00 0.18 -5.05 105.19 104.55 1xsx n GLY 29 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 1xsx n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xsx n ALA 30 N -2.67 -2.39 0.80 4.61 0.00 0.08 -4.97 120.51 115.96 1xsx n ALA 30 Ca -0.25 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1xsx n ALA 30 Cb 1.09 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.97 1xsx n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xsx n ASN 31 N -1.14 0.01 -1.46 0.00 4.13 -1.26 -4.55 115.26 110.98 1xsx n ASN 31 Ca -0.01 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.45 1xsx n ASN 31 Cb 0.49 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 1xsx n ASN 31 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1xsx n LEU 32 N -0.49 -1.81 -0.12 3.41 7.99 -1.26 -4.63 117.00 120.09 1xsx n LEU 32 Ca 0.00 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.51 1xsx n LEU 32 Cb 0.00 -0.80 0.00 0.00 -0.11 0.00 0.00 43.42 42.51 1xsx n LEU 32 CO 0.00 -1.29 0.20 -1.20 -1.51 0.00 0.00 177.39 173.59 1xsx n SER 33 N 1.79 0.11 -0.00 -1.43 7.64 -1.26 -4.49 113.62 115.98 1xsx n SER 33 Ca 0.00 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1xsx n SER 33 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1xsx n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsx n TYR 34 N -0.31 0.01 -0.17 1.43 0.18 -1.26 0.47 117.16 117.51 1xsx n TYR 34 Ca 0.00 0.02 -0.03 0.00 1.88 0.00 0.00 57.90 59.77 1xsx n TYR 34 Cb 0.03 -0.51 0.07 0.00 -0.38 0.00 0.00 39.34 38.55 1xsx n TYR 34 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1xsx h ALA 35 N 0.03 0.63 0.00 -3.48 0.00 -1.97 -2.49 119.26 111.99 1xsx h ALA 35 Ca 0.01 0.07 -0.40 0.00 0.00 0.00 0.00 54.91 54.58 1xsx h ALA 35 Cb 0.02 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1xsx h ALA 35 CO -0.01 -0.21 -2.22 1.28 0.00 0.00 0.00 179.25 178.09 1xsx n LEU 36 N -5.00 2.02 -0.41 0.00 4.32 1.70 -4.44 117.00 115.19 1xsx n LEU 36 Ca 0.06 0.32 0.34 0.00 -0.02 0.00 0.00 56.01 56.70 1xsx n LEU 36 Cb 0.21 -0.87 0.63 0.00 -1.62 0.00 0.00 43.42 41.77 1xsx n LEU 36 CO 0.24 0.54 1.26 0.74 -1.22 0.00 0.00 177.39 178.95 1xsx h THR 37 N -0.90 0.28 -0.93 -5.08 2.02 0.10 0.84 112.91 109.25 1xsx h THR 37 Ca -0.61 -0.06 0.27 0.00 0.77 0.00 0.00 66.41 66.79 1xsx h THR 37 Cb 1.57 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1xsx h THR 37 CO -0.34 0.03 0.97 1.23 0.37 0.00 0.00 175.52 177.78 1xsx h GLY 38 N 0.16 0.00 1.68 2.16 0.00 -1.63 2.97 103.07 108.41 1xsx h GLY 38 Ca 0.72 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.96 1xsx h GLY 38 CO -0.29 0.00 -0.30 -0.09 0.00 0.00 0.00 176.54 175.86 1xsx h ARG 39 N 0.00 0.37 0.05 4.80 2.43 0.44 -1.85 114.38 120.62 1xsx h ARG 39 Ca 0.44 -0.15 -0.24 0.00 -0.81 0.00 0.00 59.98 59.22 1xsx h ARG 39 Cb 2.37 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.90 1xsx h ARG 39 CO -0.00 0.64 -1.04 1.88 -1.51 0.00 0.00 179.97 179.93 1xsx h TYR 40 N 0.32 0.58 0.48 2.20 0.05 0.52 -2.33 116.97 118.79 1xsx h TYR 40 Ca 0.04 -0.35 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 1xsx h TYR 40 Cb 0.70 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.39 1xsx h TYR 40 CO 0.02 1.20 -0.23 0.82 -1.05 0.00 0.00 178.16 178.91 1xsx h ILE 41 N 0.18 0.48 -0.87 -2.88 2.04 -1.17 -1.34 117.51 113.95 1xsx h ILE 41 Ca -0.10 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1xsx h ILE 41 Cb 1.71 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1xsx h ILE 41 CO 0.18 0.05 0.53 0.50 0.00 0.00 0.00 178.15 179.41 1xsx h LYS 42 N -0.84 0.91 -0.35 2.37 3.11 -1.43 -1.66 116.57 118.69 1xsx h LYS 42 Ca -0.07 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1xsx h LYS 42 Cb 0.57 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 1xsx h LYS 42 CO 0.11 0.60 0.20 1.98 -2.81 0.00 0.00 179.45 179.53 1xsx h MET 43 N 0.94 0.48 0.00 1.90 4.05 -1.29 0.45 114.93 121.46 1xsx h MET 43 Ca 0.39 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.75 1xsx h MET 43 Cb 0.24 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1xsx h MET 43 CO -0.20 0.38 -0.04 -0.07 0.23 0.00 0.00 176.91 177.21 1xsx h LEU 44 N 0.45 0.00 0.06 3.39 3.38 -0.53 0.52 115.31 122.58 1xsx h LEU 44 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1xsx h LEU 44 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xsx h LEU 44 CO -0.02 0.04 -0.59 0.24 0.09 0.00 0.00 178.44 178.20 1xsx h MET 45 N 0.00 0.13 0.00 1.13 2.86 -0.26 0.48 114.93 119.27 1xsx h MET 45 Ca -0.00 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1xsx h MET 45 Cb 0.14 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1xsx h MET 45 CO 0.01 1.11 -0.01 0.22 1.06 0.00 0.00 176.91 179.29 1xsx h ASP 46 N -0.70 0.00 0.24 1.22 1.82 0.63 -0.34 116.42 119.28 1xsx h ASP 46 Ca -0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1xsx h ASP 46 Cb 1.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1xsx h ASP 46 CO 0.03 0.01 -0.47 0.18 -1.61 0.00 0.00 179.24 177.38 1xsx n LEU 47 N -4.41 1.04 -1.52 2.28 4.32 0.18 -5.00 117.00 113.89 1xsx n LEU 47 Ca -0.03 -0.31 -0.00 0.00 -0.02 0.00 0.00 56.01 55.65 1xsx n LEU 47 Cb 0.10 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1xsx n LEU 47 CO 0.33 0.21 0.00 1.21 -1.22 0.00 0.00 177.39 177.92 1xsx n GLU 48 N -0.91 -0.03 0.00 3.23 4.07 -0.14 -5.02 120.64 121.84 1xsx n GLU 48 Ca 0.09 0.52 0.00 0.00 -0.06 0.00 0.00 57.16 57.71 1xsx n GLU 48 Cb 0.36 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 1xsx n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1xsx n ILE 49 N -0.62 0.00 -4.09 6.31 -0.00 0.16 -4.48 119.36 116.63 1xsx n ILE 49 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 1xsx n ILE 49 Cb 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.68 1xsx n ILE 49 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1xsx s ILE 50 N -1.00 4.86 0.07 1.39 1.01 -1.08 -1.89 121.20 124.56 1xsx s ILE 50 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1xsx s ILE 50 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1xsx s ILE 50 CO 0.00 0.56 0.10 -0.60 0.00 0.00 0.00 174.94 175.01 1xsx s ARG 51 N -0.52 3.01 -0.33 2.79 6.06 0.96 -4.65 118.95 126.28 1xsx s ARG 51 Ca 0.10 -0.62 -0.11 0.00 -2.50 0.00 0.00 55.73 52.61 1xsx s ARG 51 Cb -0.12 -2.80 -0.01 0.00 0.06 0.00 0.00 34.95 32.08 1xsx s ARG 51 CO 0.02 0.58 0.19 1.14 -2.50 0.00 0.00 175.30 174.73 1xsx s GLN 52 N -2.34 3.35 -0.34 5.12 -2.07 -1.26 0.29 119.66 122.41 1xsx s GLN 52 Ca 0.30 -0.72 0.02 0.00 -1.82 0.00 0.00 55.36 53.13 1xsx s GLN 52 Cb -0.12 -3.66 0.09 0.00 -1.09 0.00 0.00 33.01 28.22 1xsx s GLN 52 CO 0.22 -0.45 0.06 -1.21 -1.32 0.00 0.00 175.29 172.59 1xsx s GLU 53 N 1.65 1.80 -0.11 9.60 0.41 -0.57 -4.87 118.70 126.61 1xsx s GLU 53 Ca 0.05 -1.73 -0.01 0.00 -0.41 0.00 0.00 54.97 52.87 1xsx s GLU 53 Cb -0.17 -3.24 0.01 0.00 -1.78 0.00 0.00 34.13 28.94 1xsx s GLU 53 CO 0.08 -0.88 0.03 0.41 -0.49 0.00 0.00 175.26 174.40 1xsx n GLY 54 N 4.39 -1.75 3.23 -1.39 0.00 -1.26 -1.98 105.19 106.43 1xsx n GLY 54 Ca -0.02 0.32 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1xsx n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xsx n LYS 55 N 1.38 -1.06 -4.14 1.61 4.81 -1.26 -4.85 118.16 114.66 1xsx n LYS 55 Ca -0.04 0.08 -0.10 0.00 -0.87 0.00 0.00 58.31 57.38 1xsx n LYS 55 Cb 0.30 -3.09 -0.10 0.00 0.02 0.00 0.00 35.03 32.16 1xsx n LYS 55 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1xsx s GLN 56 N -4.82 0.94 -0.24 1.64 0.74 -0.84 -4.80 119.66 112.28 1xsx s GLN 56 Ca 0.46 -1.43 -0.08 0.00 0.05 0.00 0.00 55.36 54.37 1xsx s GLN 56 Cb -0.27 0.25 -0.04 0.00 1.10 0.00 0.00 33.01 34.06 1xsx s GLN 56 CO 0.57 -0.27 0.09 0.71 -0.55 0.00 0.00 175.29 175.84 1xsx s TYR 57 N -4.05 3.14 0.43 1.67 1.51 -1.01 -1.51 117.35 117.53 1xsx s TYR 57 Ca 0.24 -0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1xsx s TYR 57 Cb 0.07 -2.24 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 1xsx s TYR 57 CO 0.02 -0.23 0.03 1.41 -1.11 0.00 0.00 175.55 175.67 1xsx s MET 58 N 1.43 1.97 -0.11 -0.62 1.75 0.85 -0.50 119.30 124.07 1xsx s MET 58 Ca 0.06 -2.18 -0.08 0.00 -1.25 0.00 0.00 55.69 52.24 1xsx s MET 58 Cb -0.15 -1.32 -0.04 0.00 2.84 0.00 0.00 34.83 36.16 1xsx s MET 58 CO 0.05 -0.23 0.17 -0.48 -0.65 0.00 0.00 175.02 173.87 1xsx s LEU 59 N -3.71 4.39 0.38 4.11 2.34 -0.17 0.32 118.68 126.35 1xsx s LEU 59 Ca 0.24 0.52 0.05 0.00 0.06 0.00 0.00 54.13 55.00 1xsx s LEU 59 Cb 0.06 -2.13 -0.00 0.00 -0.56 0.00 0.00 46.19 43.56 1xsx s LEU 59 CO 0.12 0.39 0.55 0.42 -1.06 0.00 0.00 176.35 176.77 1xsx s THR 60 N -0.98 3.92 0.31 5.48 -4.23 -0.79 -4.53 115.64 114.83 1xsx s THR 60 Ca 0.16 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1xsx s THR 60 Cb -0.12 -3.39 0.32 0.00 1.34 0.00 0.00 72.50 70.65 1xsx s THR 60 CO 0.05 -0.19 1.65 0.07 -0.54 0.00 0.00 174.62 175.66 1xsx h LYS 61 N 0.70 0.24 -0.25 3.99 2.10 -1.94 0.55 116.57 121.96 1xsx h LYS 61 Ca -0.45 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.16 1xsx h LYS 61 Cb 1.26 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1xsx h LYS 61 CO 0.54 0.16 0.07 0.87 -2.00 0.00 0.00 179.45 179.09 1xsx h LYS 62 N 0.25 0.39 -0.65 0.07 1.79 -1.88 -2.19 116.57 114.36 1xsx h LYS 62 Ca 0.64 -0.09 0.05 0.00 -2.18 0.00 0.00 60.65 59.08 1xsx h LYS 62 Cb 1.39 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.94 1xsx h LYS 62 CO -0.65 0.47 0.36 0.78 -1.08 0.00 0.00 179.45 179.34 1xsx h GLY 63 N 0.23 0.94 1.05 3.86 0.00 -0.01 -1.50 103.07 107.65 1xsx h GLY 63 Ca 0.08 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.08 1xsx h GLY 63 CO -0.00 0.17 0.08 0.83 0.00 0.00 0.00 176.54 177.61 1xsx h GLU 64 N 0.68 1.04 -0.64 4.80 5.08 -1.15 -1.62 114.58 122.77 1xsx h GLU 64 Ca 0.29 -0.29 0.06 0.00 -1.00 0.00 0.00 59.36 58.41 1xsx h GLU 64 Cb 0.16 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1xsx h GLU 64 CO -0.17 0.98 0.43 0.93 -1.00 0.00 0.00 179.01 180.18 1xsx h GLU 65 N 0.95 0.63 -0.00 2.33 5.08 -0.68 -1.60 114.58 121.29 1xsx h GLU 65 Ca 0.19 -0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 1xsx h GLU 65 Cb 0.46 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.59 1xsx h GLU 65 CO 0.02 0.42 -1.04 1.25 -1.00 0.00 0.00 179.01 178.66 1xsx h LEU 66 N 0.65 0.91 -0.86 1.33 5.85 -0.81 -2.13 115.31 120.25 1xsx h LEU 66 Ca 0.28 -0.73 0.18 0.00 0.84 0.00 0.00 57.88 58.45 1xsx h LEU 66 Cb 0.26 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 1xsx h LEU 66 CO -0.08 1.53 0.41 -0.07 -0.34 0.00 0.00 178.44 179.88 1xsx h LEU 67 N 0.40 0.43 -0.13 2.25 -0.00 -0.35 0.57 115.31 118.47 1xsx h LEU 67 Ca -0.13 0.12 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 1xsx h LEU 67 Cb 1.69 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 42.42 1xsx h LEU 67 CO 0.20 0.12 -0.25 -0.08 -0.00 0.00 0.00 178.44 178.44 1xsx h GLU 68 N 0.52 0.40 0.46 1.13 4.81 -1.41 -2.04 114.58 118.46 1xsx h GLU 68 Ca 0.50 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1xsx h GLU 68 Cb 0.82 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1xsx h GLU 68 CO -0.43 0.85 -0.30 -0.44 -0.73 0.00 0.00 179.01 177.95 1xsx h ASP 69 N 0.00 -0.77 -0.85 1.04 3.32 -0.20 -1.48 116.42 117.49 1xsx h ASP 69 Ca 0.01 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1xsx h ASP 69 Cb 0.83 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1xsx h ASP 69 CO 0.06 -0.47 0.55 -0.29 -1.72 0.00 0.00 179.24 177.37 1xsx h ILE 70 N -0.74 1.08 0.09 0.35 2.10 -0.06 -0.06 117.51 120.28 1xsx h ILE 70 Ca -0.05 -0.34 0.02 0.00 1.08 0.00 0.00 64.86 65.57 1xsx h ILE 70 Cb 0.61 0.02 -0.03 0.00 -1.09 0.00 0.00 36.82 36.33 1xsx h ILE 70 CO 0.04 0.18 -0.20 -0.09 -1.08 0.00 0.00 178.15 177.00 1xsx h ARG 71 N 0.98 -0.36 0.31 2.19 2.43 -0.86 -0.67 114.38 118.41 1xsx h ARG 71 Ca 0.35 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1xsx h ARG 71 Cb 0.15 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1xsx h ARG 71 CO -0.12 -0.24 -0.15 0.87 -1.51 0.00 0.00 179.97 178.82 1xsx h LYS 72 N -0.37 -0.41 -0.66 0.20 1.57 -0.66 -2.01 116.57 114.23 1xsx h LYS 72 Ca 0.03 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1xsx h LYS 72 Cb 0.40 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.68 1xsx h LYS 72 CO -0.12 -0.15 -0.28 0.35 -0.57 0.00 0.00 179.45 178.67 1xsx h PHE 73 N -0.62 -0.74 -0.49 -1.35 3.04 -0.90 0.72 116.94 116.60 1xsx h PHE 73 Ca -0.04 0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1xsx h PHE 73 Cb 0.44 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1xsx h PHE 73 CO -0.01 -0.36 0.31 -0.97 -2.02 0.00 0.00 178.31 175.26 1xsx h ASN 74 N -0.10 0.57 0.15 0.41 -1.24 -1.05 1.84 115.58 116.17 1xsx h ASN 74 Ca 0.28 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1xsx h ASN 74 Cb 0.55 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1xsx h ASN 74 CO -0.72 0.43 -0.07 -0.33 -1.29 0.00 0.00 177.43 175.45 1xsx h GLU 75 N 0.67 -0.20 -0.49 6.67 5.08 0.92 -0.89 114.58 126.35 1xsx h GLU 75 Ca 0.18 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 1xsx h GLU 75 Cb -0.05 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xsx h GLU 75 CO -0.04 0.23 -0.20 0.52 -1.00 0.00 0.00 179.01 178.52 1xsx h MET 76 N -0.72 0.98 -0.15 2.33 2.86 0.36 0.13 114.93 120.73 1xsx h MET 76 Ca -0.02 -0.41 0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1xsx h MET 76 Cb 0.52 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1xsx h MET 76 CO 0.03 1.08 0.08 -0.09 1.06 0.00 0.00 176.91 179.08 1xsx h ARG 77 N 0.85 0.17 -0.61 1.72 1.12 0.28 0.35 114.38 118.27 1xsx h ARG 77 Ca 0.11 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.92 1xsx h ARG 77 Cb 0.77 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.66 1xsx h ARG 77 CO 0.06 0.11 0.16 -0.22 -3.11 0.00 0.00 179.97 176.98 1xsx h LYS 78 N 0.17 0.94 -0.44 0.20 3.64 -1.04 -2.10 116.57 117.95 1xsx h LYS 78 Ca 0.06 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1xsx h LYS 78 Cb -0.00 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1xsx h LYS 78 CO -0.03 0.83 0.23 -0.97 -2.27 0.00 0.00 179.45 177.24 1xsx h ASN 79 N 0.90 0.55 0.23 4.20 -0.00 -0.16 0.14 115.58 121.45 1xsx h ASN 79 Ca 0.20 -0.10 0.01 0.00 -0.00 0.00 0.00 56.30 56.41 1xsx h ASN 79 Cb 0.30 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.45 1xsx h ASN 79 CO -0.00 0.49 -0.39 -0.03 -0.00 0.00 0.00 177.43 177.50 1xsx h MET 80 N 0.57 -0.67 -0.91 6.67 4.05 0.29 1.42 114.93 126.35 1xsx h MET 80 Ca 0.15 0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1xsx h MET 80 Cb 0.07 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1xsx h MET 80 CO -0.02 -0.44 0.59 0.22 0.23 0.00 0.00 176.91 177.48 1xsx h ASP 81 N -0.69 0.98 -0.10 1.39 3.58 -1.20 1.65 116.42 122.03 1xsx h ASP 81 Ca 0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1xsx h ASP 81 Cb 0.67 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 1xsx h ASP 81 CO -0.16 0.67 0.05 -0.61 -2.88 0.00 0.00 179.24 176.31 1xsx h GLN 82 N 1.14 0.14 -0.52 0.28 5.75 0.13 0.47 115.11 122.50 1xsx h GLN 82 Ca 0.37 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.83 1xsx h GLN 82 Cb 0.02 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1xsx h GLN 82 CO -0.12 0.19 0.24 -0.07 -2.65 0.00 0.00 178.83 176.42 1xsx h LEU 83 N 0.06 0.69 -0.72 -2.39 3.38 0.29 -1.95 115.31 114.66 1xsx h LEU 83 Ca 0.04 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1xsx h LEU 83 Cb 0.09 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 1xsx h LEU 83 CO -0.01 0.64 0.29 0.50 0.09 0.00 0.00 178.44 179.95 1xsx h LYS 84 N 0.70 0.45 -0.52 1.13 3.11 0.30 0.08 116.57 121.82 1xsx h LYS 84 Ca 0.18 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.93 1xsx h LYS 84 Cb 0.13 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1xsx h LYS 84 CO -0.02 0.30 0.07 1.49 -2.81 0.00 0.00 179.45 178.47 1xsx h GLU 85 N 0.46 0.83 -0.31 1.90 4.81 -0.28 -1.88 114.58 120.11 1xsx h GLU 85 Ca 0.38 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1xsx h GLU 85 Cb 0.54 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1xsx h GLU 85 CO -0.37 0.79 0.09 -0.22 -0.73 0.00 0.00 179.01 178.58 1xsx h LYS 86 N 0.79 0.44 -0.15 1.92 3.64 -0.29 -1.41 116.57 121.51 1xsx h LYS 86 Ca 0.16 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1xsx h LYS 86 Cb 0.38 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1xsx h LYS 86 CO 0.01 0.39 -0.10 0.82 -2.27 0.00 0.00 179.45 178.31 1xsx h ILE 87 N 0.44 1.33 -0.31 2.00 2.04 -0.54 -2.14 117.51 120.33 1xsx h ILE 87 Ca 0.11 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 1xsx h ILE 87 Cb 0.14 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1xsx h ILE 87 CO -0.01 0.35 0.14 0.78 0.00 0.00 0.00 178.15 179.42 1xsx h ASN 88 N -0.02 0.38 -0.14 1.72 4.21 -0.93 0.76 115.58 121.54 1xsx h ASN 88 Ca 0.03 -0.03 -0.17 0.00 1.21 0.00 0.00 56.30 57.34 1xsx h ASN 88 Cb 0.59 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1xsx h ASN 88 CO 0.03 0.33 -0.53 -1.28 -1.29 0.00 0.00 177.43 174.69 1xsx h SER 89 N 0.43 0.80 0.05 5.81 0.87 -1.09 0.85 113.55 121.27 1xsx h SER 89 Ca 0.11 -0.42 -0.10 0.00 -1.23 0.00 0.00 61.79 60.15 1xsx h SER 89 Cb 0.05 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1xsx h SER 89 CO -0.02 1.18 -0.42 0.58 -0.53 0.00 0.00 176.83 177.62 1xsx h VAL 90 N 0.56 1.58 0.00 2.23 2.07 -0.86 -3.14 116.25 118.68 1xsx h VAL 90 Ca 0.02 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.29 1xsx h VAL 90 Cb 1.10 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1xsx h VAL 90 CO 0.11 0.62 0.00 -0.11 0.02 0.00 0.00 177.57 178.21 1xsx n LEU 91 N -4.37 0.00 0.00 2.57 7.94 0.21 -4.84 117.00 118.51 1xsx n LEU 91 Ca -0.11 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 1xsx n LEU 91 Cb 0.63 -0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.16 1xsx n LEU 91 CO 0.42 -0.01 0.00 -1.20 -1.11 0.00 0.00 177.39 175.49 1xsx n SER 92 N -1.41 0.00 0.00 1.96 7.64 0.29 -4.49 113.62 117.62 1xsx n SER 92 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1xsx n SER 92 Cb 0.29 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1xsx n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsx n ILE 93 N -0.03 0.00 0.00 0.44 2.08 -1.24 -1.69 119.36 118.93 1xsx n ILE 93 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1xsx n ILE 93 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1xsx n ILE 93 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1xsx n ARG 94 N 0.00 1.25 -0.88 0.38 1.74 -1.26 -5.22 116.66 112.67 1xsx n ARG 94 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1xsx n ARG 94 Cb 0.00 -0.10 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05