#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsx h LYS 2 N 0.00 0.65 0.00 0.00 1.63 -2.06 -3.44 116.57 113.34 1xsx h LYS 2 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1xsx h LYS 2 Cb 0.00 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1xsx h LYS 2 CO 0.00 0.43 0.00 1.17 -3.45 0.00 0.00 179.45 177.60 1xsx n LYS 3 N -4.56 0.00 -3.54 1.90 4.81 -1.26 -4.90 118.16 110.60 1xsx n LYS 3 Ca 0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.49 1xsx n LYS 3 Cb 0.49 -1.06 -0.11 0.00 0.02 0.00 0.00 35.03 34.37 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 -0.14 0.23 0.00 1.64 1.02 -1.26 -3.70 119.74 117.53 1xsx s LYS 4 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1xsx s LYS 4 Cb 0.00 -0.42 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 1xsx s LYS 4 CO 0.00 -0.47 0.00 0.43 -0.92 0.00 0.00 175.35 174.39 1xsx n SER 5 N 5.35 0.00 0.00 2.83 7.64 -1.26 -4.95 113.62 123.23 1xsx n SER 5 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1xsx n SER 5 Cb 0.50 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1xsx n SER 5 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1xsx n LYS 6 N -1.40 0.00 -0.10 1.43 2.85 -1.26 -4.90 118.16 114.78 1xsx n LYS 6 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1xsx n LYS 6 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 1xsx n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1xsx n LEU 7 N 0.00 1.92 -0.01 -5.58 4.32 -1.26 -4.42 117.00 111.96 1xsx n LEU 7 Ca 0.00 0.39 -0.00 0.00 -0.02 0.00 0.00 56.01 56.38 1xsx n LEU 7 Cb 0.00 -0.80 -0.00 0.00 -1.62 0.00 0.00 43.42 41.00 1xsx n LEU 7 CO 0.00 -0.04 -0.01 -0.08 -1.22 0.00 0.00 177.39 176.04 1xsx h GLU 8 N -1.00 0.00 -1.03 3.23 4.57 -1.93 -2.40 114.58 116.01 1xsx h GLU 8 Ca -0.21 0.00 0.42 0.00 -1.18 0.00 0.00 59.36 58.38 1xsx h GLU 8 Cb 1.10 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.52 1xsx h GLU 8 CO -0.13 0.00 0.57 0.97 -1.18 0.00 0.00 179.01 179.25 1xsx h ILE 9 N -0.24 0.03 0.62 2.32 6.09 -1.89 1.18 117.51 125.63 1xsx h ILE 9 Ca 0.00 -0.01 -0.03 0.00 -1.37 0.00 0.00 64.86 63.45 1xsx h ILE 9 Cb 0.01 -0.00 0.01 0.00 0.47 0.00 0.00 36.82 37.31 1xsx h ILE 9 CO 0.00 0.01 -0.30 0.40 -3.07 0.00 0.00 178.15 175.19 1xsx h ILE 10 N 0.03 0.00 0.00 2.19 1.08 -1.77 -0.13 117.51 118.91 1xsx h ILE 10 Ca 0.84 -0.18 -0.06 0.00 -0.39 0.00 0.00 64.86 65.07 1xsx h ILE 10 Cb 2.24 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.98 1xsx h ILE 10 CO -0.73 0.00 -0.29 0.06 -0.69 0.00 0.00 178.15 176.51 1xsx h GLN 11 N -1.01 0.00 -0.46 2.37 -0.00 -0.20 -1.31 115.11 114.49 1xsx h GLN 11 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.43 1xsx h GLN 11 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.11 1xsx h GLN 11 CO 0.14 0.29 -0.25 0.00 -0.00 0.00 0.00 178.83 179.01 1xsx h ALA 12 N 1.71 0.69 -0.08 0.06 0.00 0.13 -1.12 119.26 120.64 1xsx h ALA 12 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1xsx h ALA 12 Cb 0.60 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xsx h ALA 12 CO 0.04 0.67 -0.10 0.82 0.00 0.00 0.00 179.25 180.69 1xsx h ILE 13 N 0.82 1.38 -0.99 0.00 2.04 -0.57 -1.01 117.51 119.19 1xsx h ILE 13 Ca 0.10 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1xsx h ILE 13 Cb 0.83 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.90 1xsx h ILE 13 CO 0.07 0.36 0.64 0.25 0.00 0.00 0.00 178.15 179.48 1xsx h LEU 14 N -0.23 1.06 -0.57 1.44 6.46 -1.22 -1.14 115.31 121.11 1xsx h LEU 14 Ca 0.01 -0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 1xsx h LEU 14 Cb 0.63 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1xsx h LEU 14 CO 0.02 0.71 -0.71 -0.08 -0.62 0.00 0.00 178.44 177.76 1xsx h GLU 15 N 1.22 0.04 -0.35 1.25 4.81 -1.16 -2.84 114.58 117.56 1xsx h GLU 15 Ca 0.40 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.45 1xsx h GLU 15 Cb 0.05 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1xsx h GLU 15 CO -0.14 0.73 -0.38 0.00 -0.73 0.00 0.00 179.01 178.49 1xsx h ALA 16 N 1.26 0.67 0.00 2.92 0.00 -0.21 -2.73 119.26 121.17 1xsx h ALA 16 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xsx h ALA 16 Cb 1.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1xsx h ALA 16 CO 0.10 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1xsx n LYS 18 N -1.32 0.00 -2.68 0.00 -0.00 -1.03 -1.09 118.16 112.04 1xsx n LYS 18 Ca 0.12 0.09 -0.03 0.00 -0.00 0.00 0.00 58.31 58.49 1xsx n LYS 18 Cb 0.23 -1.65 0.13 0.00 -0.00 0.00 0.00 35.03 33.73 1xsx n LYS 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1xsx n SER 19 N -0.94 -1.59 -2.39 -5.58 7.64 -1.25 -4.74 113.62 104.77 1xsx n SER 19 Ca 0.00 -2.29 -0.01 0.00 1.01 0.00 0.00 58.87 57.59 1xsx n SER 19 Cb 0.15 0.78 -0.01 0.00 -1.01 0.00 0.00 64.21 64.13 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsx n GLY 20 N -1.29 -5.46 3.31 0.23 0.00 -0.70 -4.97 105.19 96.30 1xsx n GLY 20 Ca -0.14 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.58 -0.43 1.16 1.61 0.01 -0.58 -4.81 113.70 110.08 1xsx s SER 21 Ca -0.04 0.82 -0.17 0.00 1.31 0.00 0.00 55.95 57.87 1xsx s SER 21 Cb 0.00 0.84 0.27 0.00 0.21 0.00 0.00 66.02 67.33 1xsx s SER 21 CO 0.11 -0.15 1.09 -2.16 0.41 0.00 0.00 173.24 172.54 1xsx s PRO 22 N 0.19 -0.88 0.47 12.44 0.04 -1.26 -1.16 135.00 144.84 1xsx s PRO 22 Ca -0.00 0.16 0.21 0.00 0.04 0.00 0.00 61.00 61.41 1xsx s PRO 22 Cb -0.03 -1.62 1.15 0.00 0.04 0.00 0.00 34.50 34.04 1xsx s PRO 22 CO 0.01 -3.53 1.98 0.87 0.04 0.00 0.00 177.00 176.37 1xsx h LYS 23 N -2.46 0.00 -0.45 4.56 1.57 -1.98 -2.82 116.57 114.99 1xsx h LYS 23 Ca -0.49 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 1xsx h LYS 23 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1xsx h LYS 23 CO 0.42 0.20 0.17 1.79 -0.57 0.00 0.00 179.45 181.45 1xsx h THR 24 N 0.00 1.21 0.00 -0.16 1.35 -2.01 -1.83 112.91 111.47 1xsx h THR 24 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1xsx h THR 24 Cb 0.42 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1xsx h THR 24 CO 0.03 0.24 0.00 0.54 -0.25 0.00 0.00 175.52 176.08 1xsx n ARG 25 N -4.58 0.01 0.05 4.72 5.12 -1.06 -0.46 116.66 120.45 1xsx n ARG 25 Ca 0.01 0.45 0.11 0.00 -1.93 0.00 0.00 57.85 56.49 1xsx n ARG 25 Cb 0.16 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 29.96 1xsx n ARG 25 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1xsx n ILE 26 N -1.56 0.29 -0.09 0.55 5.41 -0.69 -4.12 119.36 119.14 1xsx n ILE 26 Ca 0.01 -0.34 -0.11 0.00 1.00 0.00 0.00 62.75 63.32 1xsx n ILE 26 Cb 0.04 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.94 1xsx n ILE 26 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1xsx h MET 27 N 0.00 0.45 0.12 0.38 4.05 -0.70 -2.92 114.93 116.30 1xsx h MET 27 Ca 0.00 -0.11 0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1xsx h MET 27 Cb 0.81 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1xsx h MET 27 CO 0.00 0.54 -0.34 -0.92 0.23 0.00 0.00 176.91 176.42 1xsx h TYR 28 N 0.28 -0.97 -1.33 1.39 3.20 -1.72 -0.59 116.97 117.23 1xsx h TYR 28 Ca 0.09 0.02 0.47 0.00 3.14 0.00 0.00 58.73 62.45 1xsx h TYR 28 Cb 0.30 0.41 -0.14 0.00 1.54 0.00 0.00 36.73 38.83 1xsx h TYR 28 CO 0.02 -0.39 0.84 0.78 -1.64 0.00 0.00 178.16 177.76 1xsx h GLY 29 N -0.51 1.49 -3.71 1.82 0.00 -1.73 -3.42 103.07 97.01 1xsx h GLY 29 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 47.33 47.34 1xsx h GLY 29 CO -0.16 -0.52 0.55 0.00 0.00 0.00 0.00 176.54 176.41 1xsx s ALA 30 N -5.30 -1.89 -0.10 3.60 0.00 -0.23 -5.08 121.76 112.76 1xsx s ALA 30 Ca -0.08 1.25 -0.39 0.00 0.00 0.00 0.00 51.96 52.75 1xsx s ALA 30 Cb 0.31 0.04 -0.16 0.00 0.00 0.00 0.00 23.12 23.31 1xsx s ALA 30 CO 0.82 -0.57 1.54 0.09 0.00 0.00 0.00 175.76 177.64 1xsx n ASN 31 N 0.05 2.00 -4.56 0.00 4.13 -1.24 -4.12 115.26 111.51 1xsx n ASN 31 Ca -0.08 1.10 -0.41 0.00 1.68 0.00 0.00 54.58 56.87 1xsx n ASN 31 Cb 0.60 -1.16 -0.03 0.00 -1.54 0.00 0.00 39.78 37.65 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xsx s LEU 32 N 2.04 3.29 0.00 3.41 1.98 -1.26 -4.80 118.68 123.35 1xsx s LEU 32 Ca 0.92 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 52.17 1xsx s LEU 32 Cb -1.02 -2.78 0.00 0.00 0.66 0.00 0.00 46.19 43.05 1xsx s LEU 32 CO 0.57 -1.87 0.00 -1.20 -1.89 0.00 0.00 176.35 171.95 1xsx n SER 33 N 10.04 0.00 0.00 3.68 7.64 -1.26 -4.47 113.62 129.24 1xsx n SER 33 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1xsx n SER 33 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.06 0.00 -0.00 1.43 4.19 -1.26 0.43 117.16 121.89 1xsx n TYR 34 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1xsx n TYR 34 Cb 0.00 -0.43 -0.03 0.00 0.49 0.00 0.00 39.34 39.37 1xsx n TYR 34 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xsx h ALA 35 N 0.00 -0.05 0.03 2.98 0.00 -2.02 -3.29 119.26 116.91 1xsx h ALA 35 Ca 0.00 0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 1xsx h ALA 35 Cb 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1xsx h ALA 35 CO 0.00 -0.59 -2.34 1.28 0.00 0.00 0.00 179.25 177.60 1xsx n LEU 36 N -5.29 2.76 -0.31 0.00 4.77 1.48 -4.58 117.00 115.83 1xsx n LEU 36 Ca -0.03 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.93 1xsx n LEU 36 Cb 0.21 -0.90 0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1xsx n LEU 36 CO 0.22 0.90 0.51 0.41 -1.33 0.00 0.00 177.39 178.09 1xsx n THR 37 N -3.30 -0.41 -0.29 -5.08 -1.04 0.31 0.26 114.28 104.73 1xsx n THR 37 Ca -0.41 1.93 0.33 0.00 -2.04 0.00 0.00 64.05 63.86 1xsx n THR 37 Cb 1.01 -2.59 0.55 0.00 -1.82 0.00 0.00 70.33 67.48 1xsx n THR 37 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1xsx h GLY 38 N 0.00 0.00 1.46 3.41 0.00 -1.80 2.27 103.07 108.41 1xsx h GLY 38 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.51 1xsx h GLY 38 CO -0.83 0.00 -0.42 -0.09 0.00 0.00 0.00 176.54 175.19 1xsx h ARG 39 N 0.00 0.59 0.10 4.80 2.43 0.32 -1.63 114.38 120.99 1xsx h ARG 39 Ca 0.56 -0.31 -0.18 0.00 -0.81 0.00 0.00 59.98 59.23 1xsx h ARG 39 Cb 2.91 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 32.49 1xsx h ARG 39 CO -0.01 0.90 -0.77 1.88 -1.51 0.00 0.00 179.97 180.46 1xsx h TYR 40 N 0.48 0.59 -0.18 2.20 -1.99 0.37 -2.51 116.97 115.93 1xsx h TYR 40 Ca 0.04 -0.39 -0.00 0.00 2.00 0.00 0.00 58.73 60.37 1xsx h TYR 40 Cb 0.93 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 1xsx h TYR 40 CO 0.04 1.27 0.10 0.82 -0.00 0.00 0.00 178.16 180.39 1xsx h ILE 41 N -0.26 1.10 -0.15 -2.88 2.04 -1.45 -0.25 117.51 115.65 1xsx h ILE 41 Ca -0.13 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1xsx h ILE 41 Cb 1.56 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1xsx h ILE 41 CO 0.15 0.09 0.03 0.50 0.00 0.00 0.00 178.15 178.92 1xsx h LYS 42 N 0.20 0.09 -0.13 2.37 3.11 -1.40 -0.22 116.57 120.60 1xsx h LYS 42 Ca 0.07 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.94 1xsx h LYS 42 Cb 0.06 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.23 1xsx h LYS 42 CO -0.01 0.06 -0.09 1.98 -2.81 0.00 0.00 179.45 178.58 1xsx h MET 43 N 0.09 -0.09 -0.93 1.90 4.05 -1.15 1.74 114.93 120.54 1xsx h MET 43 Ca 0.07 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1xsx h MET 43 Cb 0.06 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.82 1xsx h MET 43 CO -0.09 -0.06 0.61 -0.07 0.23 0.00 0.00 176.91 177.53 1xsx h LEU 44 N -0.09 0.99 -0.05 3.39 3.38 -0.69 0.57 115.31 122.80 1xsx h LEU 44 Ca 0.08 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1xsx h LEU 44 Cb 0.21 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1xsx h LEU 44 CO -0.19 0.67 -0.49 -0.03 0.09 0.00 0.00 178.44 178.49 1xsx h MET 45 N 1.14 0.42 -0.02 1.13 4.05 -0.11 0.30 114.93 121.84 1xsx h MET 45 Ca 0.37 -0.39 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1xsx h MET 45 Cb 0.05 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1xsx h MET 45 CO -0.12 1.04 0.03 0.22 0.23 0.00 0.00 176.91 178.30 1xsx h ASP 46 N -0.06 0.00 -0.01 1.39 3.58 0.33 0.14 116.42 121.78 1xsx h ASP 46 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1xsx h ASP 46 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1xsx h ASP 46 CO 0.10 0.00 -0.07 0.18 -2.88 0.00 0.00 179.24 176.57 1xsx n LEU 47 N -3.91 2.43 -1.76 2.28 4.32 0.19 -4.99 117.00 115.56 1xsx n LEU 47 Ca -0.02 -0.82 -0.00 0.00 -0.02 0.00 0.00 56.01 55.15 1xsx n LEU 47 Cb 0.11 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.91 1xsx n LEU 47 CO 0.28 0.41 0.05 -0.62 -1.22 0.00 0.00 177.39 176.29 1xsx n GLU 48 N 0.81 -0.27 0.00 3.23 1.02 0.47 -5.00 120.64 120.89 1xsx n GLU 48 Ca 0.15 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1xsx n GLU 48 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 1xsx n GLU 48 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xsx n ILE 49 N -0.98 0.00 -4.07 -3.67 -0.00 0.96 -4.47 119.36 107.14 1xsx n ILE 49 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.41 1xsx n ILE 49 Cb 0.40 0.00 -0.09 0.00 -0.00 0.00 0.00 39.64 39.95 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 4.77 0.21 1.39 1.01 -1.14 -2.28 121.20 124.15 1xsx s ILE 50 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1xsx s ILE 50 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1xsx s ILE 50 CO 0.00 0.51 0.26 -0.60 0.00 0.00 0.00 174.94 175.11 1xsx s ARG 51 N -0.05 3.23 -0.32 2.79 6.06 0.75 -4.54 118.95 126.87 1xsx s ARG 51 Ca 0.06 -0.81 -0.09 0.00 -2.50 0.00 0.00 55.73 52.39 1xsx s ARG 51 Cb -0.12 -2.79 -0.00 0.00 0.06 0.00 0.00 34.95 32.10 1xsx s ARG 51 CO 0.01 0.46 0.15 -1.14 -2.50 0.00 0.00 175.30 172.28 1xsx s GLN 52 N -3.61 3.26 -0.31 5.12 0.74 -1.26 0.56 119.66 124.17 1xsx s GLN 52 Ca 0.33 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.99 1xsx s GLN 52 Cb -0.09 -3.56 0.09 0.00 1.10 0.00 0.00 33.01 30.55 1xsx s GLN 52 CO 0.27 -0.45 0.04 -1.21 -0.55 0.00 0.00 175.29 173.39 1xsx s GLU 53 N 1.60 1.30 -1.50 1.67 2.02 0.97 -4.76 118.70 120.00 1xsx s GLU 53 Ca 0.04 -1.44 -0.05 0.00 0.02 0.00 0.00 54.97 53.54 1xsx s GLU 53 Cb -0.17 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.37 1xsx s GLU 53 CO 0.06 -0.87 0.49 0.41 0.02 0.00 0.00 175.26 175.36 1xsx n GLY 54 N 4.52 -0.51 1.84 -1.39 0.00 -1.26 -0.05 105.19 108.34 1xsx n GLY 54 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.80 0.00 -3.77 1.61 3.00 -1.26 -5.04 118.16 108.90 1xsx n LYS 55 Ca -0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 57.99 1xsx n LYS 55 Cb 0.61 -1.69 -0.01 0.00 0.00 0.00 0.00 35.03 33.94 1xsx n LYS 55 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1xsx s GLN 56 N -0.35 3.34 -0.33 1.64 -0.21 0.92 -4.78 119.66 119.89 1xsx s GLN 56 Ca 0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 55.36 54.46 1xsx s GLN 56 Cb 0.00 -2.85 -0.00 0.00 1.00 0.00 0.00 33.01 31.15 1xsx s GLN 56 CO 0.00 0.29 0.19 0.71 -2.12 0.00 0.00 175.29 174.36 1xsx s TYR 57 N -2.06 3.20 0.45 0.91 2.02 -0.31 -0.02 117.35 121.54 1xsx s TYR 57 Ca 0.38 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1xsx s TYR 57 Cb -0.09 -2.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.04 1xsx s TYR 57 CO 0.30 -0.48 0.29 1.41 -1.57 0.00 0.00 175.55 175.50 1xsx s MET 58 N 1.63 2.32 -0.15 -0.62 -2.45 0.19 -1.53 119.30 118.69 1xsx s MET 58 Ca 0.04 -1.82 -0.11 0.00 -1.25 0.00 0.00 55.69 52.55 1xsx s MET 58 Cb -0.18 -2.11 -0.05 0.00 1.25 0.00 0.00 34.83 33.75 1xsx s MET 58 CO 0.07 -0.27 0.22 -0.48 1.05 0.00 0.00 175.02 175.61 1xsx s LEU 59 N -4.06 4.29 0.40 4.11 2.34 -0.25 0.27 118.68 125.77 1xsx s LEU 59 Ca 0.40 0.46 0.04 0.00 0.06 0.00 0.00 54.13 55.09 1xsx s LEU 59 Cb 0.00 -2.24 -0.00 0.00 -0.56 0.00 0.00 46.19 43.39 1xsx s LEU 59 CO 0.23 0.21 0.57 0.28 -1.06 0.00 0.00 176.35 176.58 1xsx s THR 60 N -0.04 3.82 0.38 5.48 -1.32 -0.97 -4.72 115.64 118.28 1xsx s THR 60 Ca 0.14 -0.81 0.23 0.00 -1.21 0.00 0.00 61.69 60.04 1xsx s THR 60 Cb -0.13 -3.36 0.37 0.00 -1.51 0.00 0.00 72.50 67.88 1xsx s THR 60 CO 0.03 -0.18 1.58 0.07 -2.21 0.00 0.00 174.62 173.91 1xsx h LYS 61 N 0.64 0.01 0.05 7.08 -0.00 -1.94 0.51 116.57 122.93 1xsx h LYS 61 Ca -0.45 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.20 1xsx h LYS 61 Cb 1.26 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1xsx h LYS 61 CO 0.53 0.01 -0.03 0.87 -0.00 0.00 0.00 179.45 180.84 1xsx h LYS 62 N 0.01 -0.07 -0.81 0.07 1.57 -1.89 -2.01 116.57 113.44 1xsx h LYS 62 Ca 0.85 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.73 1xsx h LYS 62 Cb 2.32 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 34.57 1xsx h LYS 62 CO -0.72 0.21 0.46 0.78 -0.57 0.00 0.00 179.45 179.62 1xsx h GLY 63 N -0.36 1.26 0.65 3.86 0.00 -0.11 0.14 103.07 108.52 1xsx h GLY 63 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1xsx h GLY 63 CO 0.01 0.12 -0.09 0.83 0.00 0.00 0.00 176.54 177.40 1xsx h GLU 64 N 0.76 -0.25 -0.30 4.80 5.08 -1.37 0.69 114.58 124.00 1xsx h GLU 64 Ca 0.40 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 1xsx h GLU 64 Cb 0.38 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1xsx h GLU 64 CO -0.25 0.08 0.22 0.93 -1.00 0.00 0.00 179.01 178.98 1xsx h GLU 65 N -0.61 0.00 0.12 2.33 5.08 -0.97 -0.42 114.58 120.10 1xsx h GLU 65 Ca -0.03 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.05 1xsx h GLU 65 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xsx h GLU 65 CO 0.04 0.00 -1.30 1.25 -1.00 0.00 0.00 179.01 178.00 1xsx h LEU 66 N 0.00 0.39 -0.88 1.33 7.12 -0.48 -2.38 115.31 120.41 1xsx h LEU 66 Ca 0.14 -0.44 0.07 0.00 0.13 0.00 0.00 57.88 57.78 1xsx h LEU 66 Cb 0.57 -0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.51 1xsx h LEU 66 CO -0.00 1.35 0.54 0.25 -0.13 0.00 0.00 178.44 180.45 1xsx h LEU 67 N 0.07 0.83 -0.08 2.25 5.85 0.84 0.33 115.31 125.39 1xsx h LEU 67 Ca -0.15 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1xsx h LEU 67 Cb 1.97 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1xsx h LEU 67 CO 0.19 0.51 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.26 1xsx h GLU 68 N 0.95 0.28 -0.06 1.25 5.08 -1.47 -2.07 114.58 118.55 1xsx h GLU 68 Ca 0.40 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1xsx h GLU 68 Cb 0.24 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1xsx h GLU 68 CO -0.20 0.80 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.98 1xsx h ASP 69 N -0.19 -0.60 -0.76 1.42 3.32 -0.83 0.95 116.42 119.73 1xsx h ASP 69 Ca -0.00 0.09 0.12 0.00 0.02 0.00 0.00 57.03 57.26 1xsx h ASP 69 Cb 0.81 0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 1xsx h ASP 69 CO 0.04 -0.26 0.50 0.40 -1.72 0.00 0.00 179.24 178.21 1xsx h ILE 70 N -0.29 0.88 0.21 0.35 1.08 -0.40 -1.23 117.51 118.12 1xsx h ILE 70 Ca 0.08 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1xsx h ILE 70 Cb 0.40 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1xsx h ILE 70 CO -0.22 0.11 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.13 1xsx h ARG 71 N 0.58 -0.31 0.85 2.37 2.43 -0.11 -2.38 114.38 117.80 1xsx h ARG 71 Ca 0.36 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 1xsx h ARG 71 Cb 0.61 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1xsx h ARG 71 CO -0.13 -0.21 -0.46 0.87 -1.51 0.00 0.00 179.97 178.53 1xsx h LYS 72 N -0.32 -1.16 -0.82 0.20 1.57 -0.10 0.43 116.57 116.36 1xsx h LYS 72 Ca -0.02 0.08 0.15 0.00 -1.87 0.00 0.00 60.65 58.99 1xsx h LYS 72 Cb 0.27 0.26 -0.15 0.00 0.08 0.00 0.00 32.23 32.69 1xsx h LYS 72 CO 0.03 -0.77 -0.27 0.35 -0.57 0.00 0.00 179.45 178.22 1xsx h PHE 73 N -1.20 -0.67 -0.12 -1.35 3.57 -1.37 2.52 116.94 118.32 1xsx h PHE 73 Ca -0.11 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 1xsx h PHE 73 Cb 0.94 0.42 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1xsx h PHE 73 CO -0.05 -0.38 -0.09 -0.97 -2.23 0.00 0.00 178.31 174.59 1xsx h ASN 74 N -0.03 0.17 1.10 0.41 -0.73 -1.27 2.36 115.58 117.58 1xsx h ASN 74 Ca 0.36 -0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.39 1xsx h ASN 74 Cb 0.60 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1xsx h ASN 74 CO -0.86 0.29 -0.54 -0.08 -0.37 0.00 0.00 177.43 175.88 1xsx h GLU 75 N 0.18 0.00 0.04 6.67 4.81 0.60 -2.08 114.58 124.80 1xsx h GLU 75 Ca 0.04 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.89 1xsx h GLU 75 Cb 0.28 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1xsx h GLU 75 CO 0.02 0.54 -2.31 -1.33 -0.73 0.00 0.00 179.01 175.19 1xsx n MET 76 N -3.40 0.69 -0.17 1.92 2.81 0.36 -3.45 117.12 115.87 1xsx n MET 76 Ca 0.01 0.18 -0.06 0.00 -1.81 0.00 0.00 57.70 56.02 1xsx n MET 76 Cb 0.67 -1.59 0.04 0.00 -0.71 0.00 0.00 33.22 31.63 1xsx n MET 76 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1xsx h ARG 77 N 0.02 0.60 -0.42 0.03 1.12 0.39 0.50 114.38 116.62 1xsx h ARG 77 Ca -0.52 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.24 1xsx h ARG 77 Cb 1.96 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 31.76 1xsx h ARG 77 CO -0.03 0.40 -0.02 -0.22 -3.11 0.00 0.00 179.97 176.99 1xsx h LYS 78 N 0.62 0.69 -0.07 0.20 3.64 -1.53 -1.40 116.57 118.72 1xsx h LYS 78 Ca 0.21 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1xsx h LYS 78 Cb 0.01 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1xsx h LYS 78 CO -0.09 0.73 0.02 -0.97 -2.27 0.00 0.00 179.45 176.87 1xsx h ASN 79 N 0.65 0.11 -0.01 4.20 -1.24 -1.19 0.33 115.58 118.42 1xsx h ASN 79 Ca 0.13 -0.21 0.03 0.00 0.71 0.00 0.00 56.30 56.96 1xsx h ASN 79 Cb 0.44 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 39.42 1xsx h ASN 79 CO 0.02 0.29 -0.20 -0.03 -1.29 0.00 0.00 177.43 176.21 1xsx h MET 80 N -0.08 -0.31 -0.90 6.67 1.85 0.34 0.58 114.93 123.08 1xsx h MET 80 Ca 0.02 0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.19 1xsx h MET 80 Cb 0.22 0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.26 1xsx h MET 80 CO -0.00 -0.20 0.57 0.22 -0.40 0.00 0.00 176.91 177.10 1xsx h ASP 81 N -0.32 0.91 -0.53 1.39 3.58 -1.14 1.85 116.42 122.15 1xsx h ASP 81 Ca 0.06 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1xsx h ASP 81 Cb 0.40 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1xsx h ASP 81 CO -0.20 0.59 0.31 -0.61 -2.88 0.00 0.00 179.24 176.45 1xsx h GLN 82 N 1.05 0.73 -0.33 0.28 5.75 0.10 0.14 115.11 122.83 1xsx h GLN 82 Ca 0.39 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.77 1xsx h GLN 82 Cb 0.15 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1xsx h GLN 82 CO -0.17 0.55 0.03 -0.07 -2.65 0.00 0.00 178.83 176.52 1xsx h LEU 83 N 0.72 0.54 -0.40 -2.39 3.38 0.20 -2.09 115.31 115.27 1xsx h LEU 83 Ca 0.19 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xsx h LEU 83 Cb 0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1xsx h LEU 83 CO -0.03 0.69 0.02 0.50 0.09 0.00 0.00 178.44 179.70 1xsx h LYS 84 N 0.38 0.13 -0.52 1.13 3.64 0.36 -0.29 116.57 121.40 1xsx h LYS 84 Ca 0.10 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1xsx h LYS 84 Cb 0.39 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xsx h LYS 84 CO 0.01 0.08 0.06 1.49 -2.27 0.00 0.00 179.45 178.83 1xsx h GLU 85 N 0.13 0.83 -0.72 1.90 4.81 -0.62 -0.82 114.58 120.09 1xsx h GLU 85 Ca 0.20 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1xsx h GLU 85 Cb 0.27 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1xsx h GLU 85 CO -0.31 0.79 0.21 0.87 -0.73 0.00 0.00 179.01 179.84 1xsx h LYS 86 N 0.79 1.12 -0.20 1.92 1.57 -0.60 -1.41 116.57 119.76 1xsx h LYS 86 Ca 0.16 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1xsx h LYS 86 Cb 0.38 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1xsx h LYS 86 CO 0.01 0.97 -0.06 0.82 -0.57 0.00 0.00 179.45 180.62 1xsx h ILE 87 N 1.07 1.29 -0.45 1.86 2.04 -0.61 -2.34 117.51 120.37 1xsx h ILE 87 Ca 0.23 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1xsx h ILE 87 Cb 0.33 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1xsx h ILE 87 CO -0.00 0.32 0.30 0.78 0.00 0.00 0.00 178.15 179.54 1xsx h ASN 88 N 0.12 0.48 -0.22 1.72 -0.26 -0.96 0.11 115.58 116.57 1xsx h ASN 88 Ca 0.05 -0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.61 1xsx h ASN 88 Cb 0.52 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1xsx h ASN 88 CO 0.02 0.34 -0.50 0.28 -1.06 0.00 0.00 177.43 176.52 1xsx h SER 89 N 0.57 0.88 0.08 5.81 0.02 -1.03 0.58 113.55 120.45 1xsx h SER 89 Ca 0.17 -0.45 -0.11 0.00 -0.84 0.00 0.00 61.79 60.56 1xsx h SER 89 Cb -0.01 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.29 1xsx h SER 89 CO -0.04 1.22 -0.49 0.58 -1.14 0.00 0.00 176.83 176.97 1xsx h VAL 90 N 0.63 1.62 0.00 2.27 2.07 -0.89 -3.19 116.25 118.75 1xsx h VAL 90 Ca 0.03 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1xsx h VAL 90 Cb 1.08 3.26 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 1xsx h VAL 90 CO 0.11 0.66 0.00 -0.11 0.02 0.00 0.00 177.57 178.25 1xsx n LEU 91 N -4.33 0.03 0.00 2.57 7.94 0.35 -4.83 117.00 118.72 1xsx n LEU 91 Ca -0.13 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 1xsx n LEU 91 Cb 0.67 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1xsx n LEU 91 CO 0.42 -0.08 0.00 -1.20 -1.11 0.00 0.00 177.39 175.41 1xsx n SER 92 N -1.53 0.00 0.00 1.96 7.64 0.20 -4.46 113.62 117.43 1xsx n SER 92 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1xsx n SER 92 Cb 0.29 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 -0.45 0.00 -1.25 0.44 5.41 -1.24 -1.36 119.36 120.91 1xsx n ILE 93 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1xsx n ILE 93 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1xsx n ILE 93 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1xsx n ARG 94 N 0.00 0.00 -0.13 0.38 -4.01 -1.26 -5.22 116.66 106.42 1xsx n ARG 94 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1xsx n ARG 94 Cb 0.00 -0.21 0.00 0.00 -3.04 0.00 0.00 32.46 29.21 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53