#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsx n LYS 2 N 0.00 2.25 0.00 0.00 5.02 -1.26 -4.22 118.16 119.95 1xsx n LYS 2 Ca 0.00 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1xsx n LYS 2 Cb 0.00 -3.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.92 1xsx n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xsx n LYS 3 N 8.18 0.00 -4.15 1.97 4.81 -1.26 -5.05 118.16 122.66 1xsx n LYS 3 Ca 0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.59 1xsx n LYS 3 Cb 0.41 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.38 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 -0.08 1.32 0.00 1.64 1.02 -1.26 -1.76 119.74 120.63 1xsx s LYS 4 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.44 1xsx s LYS 4 Cb 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1xsx s LYS 4 CO 0.00 -0.47 0.00 0.45 -0.92 0.00 0.00 175.35 174.41 1xsx n SER 5 N -0.37 0.00 0.00 2.83 2.88 -1.26 -4.25 113.62 113.45 1xsx n SER 5 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1xsx n SER 5 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1xsx n SER 5 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xsx n LYS 6 N -2.00 0.00 -0.04 -1.46 5.02 -1.26 -4.96 118.16 113.46 1xsx n LYS 6 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1xsx n LYS 6 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1xsx n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xsx n LEU 7 N -0.03 0.83 0.02 -0.35 4.32 -1.26 -4.35 117.00 116.19 1xsx n LEU 7 Ca 0.00 0.27 -0.01 0.00 -0.02 0.00 0.00 56.01 56.25 1xsx n LEU 7 Cb 0.00 -0.63 -0.01 0.00 -1.62 0.00 0.00 43.42 41.16 1xsx n LEU 7 CO 0.00 -0.44 0.13 -0.08 -1.22 0.00 0.00 177.39 175.78 1xsx h GLU 8 N -0.44 -0.08 -0.63 3.23 4.81 -1.65 -2.60 114.58 117.22 1xsx h GLU 8 Ca 0.00 0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1xsx h GLU 8 Cb 0.35 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.63 1xsx h GLU 8 CO 0.00 -0.05 0.17 -0.89 -0.73 0.00 0.00 179.01 177.51 1xsx n ILE 9 N -2.71 -0.27 0.29 2.32 2.08 -1.26 0.27 119.36 120.09 1xsx n ILE 9 Ca -0.01 1.34 -0.16 0.00 0.56 0.00 0.00 62.75 64.48 1xsx n ILE 9 Cb 0.03 -2.06 -0.08 0.00 -0.75 0.00 0.00 39.64 36.78 1xsx n ILE 9 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1xsx h ILE 10 N 0.00 0.45 -0.99 1.39 2.04 -1.75 -1.41 117.51 117.24 1xsx h ILE 10 Ca 0.46 -0.14 0.27 0.00 1.00 0.00 0.00 64.86 66.45 1xsx h ILE 10 Cb 1.10 0.52 -0.13 0.00 -0.74 0.00 0.00 36.82 37.56 1xsx h ILE 10 CO -0.54 0.02 0.56 -0.61 0.00 0.00 0.00 178.15 177.58 1xsx h GLN 11 N -0.81 0.46 -0.27 2.37 4.15 0.43 1.55 115.11 122.99 1xsx h GLN 11 Ca -0.07 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 1xsx h GLN 11 Cb 0.59 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.16 1xsx h GLN 11 CO 0.12 0.30 -0.08 0.00 -1.93 0.00 0.00 178.83 177.24 1xsx h ALA 12 N 1.77 1.37 -0.26 3.38 0.00 -0.65 0.12 119.26 124.99 1xsx h ALA 12 Ca 0.67 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1xsx h ALA 12 Cb 1.36 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xsx h ALA 12 CO -0.53 0.43 -0.54 0.82 0.00 0.00 0.00 179.25 179.43 1xsx h ILE 13 N 0.40 1.28 -0.38 0.00 2.04 0.31 -1.18 117.51 119.98 1xsx h ILE 13 Ca 0.08 -1.73 -0.08 0.00 1.00 0.00 0.00 64.86 64.13 1xsx h ILE 13 Cb 0.40 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1xsx h ILE 13 CO 0.02 0.56 -0.07 0.25 0.00 0.00 0.00 178.15 178.91 1xsx h LEU 14 N 0.60 0.73 -0.50 1.44 6.46 -0.29 -2.19 115.31 121.56 1xsx h LEU 14 Ca 0.01 -0.35 -0.09 0.00 -0.12 0.00 0.00 57.88 57.33 1xsx h LEU 14 Cb 1.16 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1xsx h LEU 14 CO 0.12 0.91 -0.03 -0.33 -0.62 0.00 0.00 178.44 178.49 1xsx h GLU 15 N 0.54 0.90 -0.37 1.25 5.08 -0.75 -1.19 114.58 120.03 1xsx h GLU 15 Ca 0.10 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1xsx h GLU 15 Cb 0.58 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1xsx h GLU 15 CO 0.03 0.94 0.09 0.00 -1.00 0.00 0.00 179.01 179.07 1xsx h ALA 16 N 0.92 1.46 0.00 3.43 0.00 -1.13 -0.38 119.26 123.56 1xsx h ALA 16 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsx h ALA 16 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xsx h ALA 16 CO 0.03 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1xsx n LYS 18 N -2.13 0.00 -1.09 0.00 2.85 -0.15 -0.78 118.16 116.86 1xsx n LYS 18 Ca 0.06 0.08 -0.05 0.00 -1.05 0.00 0.00 58.31 57.35 1xsx n LYS 18 Cb 0.40 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.15 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 -0.91 -0.62 -2.19 -5.58 2.88 -1.24 -4.78 113.62 101.17 1xsx n SER 19 Ca 0.00 -1.99 -0.03 0.00 -1.33 0.00 0.00 58.87 55.51 1xsx n SER 19 Cb 0.07 0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.09 -4.75 3.10 0.46 0.00 -0.61 -4.98 105.19 98.51 1xsx n GLY 20 Ca -0.21 0.85 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.46 -0.30 0.98 1.61 0.01 0.24 -4.84 113.70 110.94 1xsx s SER 21 Ca -0.15 0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 1xsx s SER 21 Cb 0.01 0.48 0.10 0.00 0.21 0.00 0.00 66.02 66.82 1xsx s SER 21 CO 0.41 -0.15 0.64 -2.65 0.41 0.00 0.00 173.24 171.90 1xsx n PRO 22 N 3.94 -0.65 0.16 12.44 -0.02 -1.26 -2.19 135.00 147.42 1xsx n PRO 22 Ca -0.22 -0.14 0.15 0.00 -2.02 0.00 0.00 63.50 61.26 1xsx n PRO 22 Cb 0.54 -2.03 0.71 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.81 0.00 -0.35 -0.52 3.64 -1.95 -1.95 116.57 113.62 1xsx h LYS 23 Ca -0.46 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 58.82 1xsx h LYS 23 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1xsx h LYS 23 CO 0.38 0.00 -0.19 1.79 -2.27 0.00 0.00 179.45 179.16 1xsx h THR 24 N 0.00 1.29 0.00 1.00 1.35 -2.02 -2.75 112.91 111.78 1xsx h THR 24 Ca 0.11 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1xsx h THR 24 Cb 0.45 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1xsx h THR 24 CO -0.00 0.43 0.00 0.54 -0.25 0.00 0.00 175.52 176.24 1xsx n ARG 25 N -4.29 0.05 0.08 4.72 5.12 -0.73 -0.74 116.66 120.86 1xsx n ARG 25 Ca -0.02 0.28 0.12 0.00 -1.93 0.00 0.00 57.85 56.30 1xsx n ARG 25 Cb 0.41 -1.50 0.21 0.00 -1.16 0.00 0.00 32.46 30.43 1xsx n ARG 25 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1xsx h ILE 26 N 0.00 0.00 -0.40 0.55 2.04 -1.52 -3.29 117.51 114.89 1xsx h ILE 26 Ca 0.00 -0.52 -0.15 0.00 1.00 0.00 0.00 64.86 65.19 1xsx h ILE 26 Cb 0.04 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1xsx h ILE 26 CO 0.00 0.00 -0.34 -0.03 0.00 0.00 0.00 178.15 177.78 1xsx h MET 27 N 0.00 0.92 0.00 2.37 4.05 -1.07 -1.44 114.93 119.76 1xsx h MET 27 Ca 0.00 -0.45 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1xsx h MET 27 Cb 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1xsx h MET 27 CO 0.00 1.11 0.28 0.98 0.23 0.00 0.00 176.91 179.50 1xsx n TYR 28 N -4.07 0.22 -0.11 1.39 9.36 -1.24 0.12 117.16 122.83 1xsx n TYR 28 Ca -0.01 0.11 -0.23 0.00 3.32 0.00 0.00 57.90 61.09 1xsx n TYR 28 Cb 0.52 -0.46 -0.12 0.00 -0.63 0.00 0.00 39.34 38.65 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 -1.28 -0.49 0.00 2.98 0.00 -0.57 -5.06 105.19 100.77 1xsx n GLY 29 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.58 0.00 -0.11 4.61 0.00 0.12 -5.02 120.51 116.53 1xsx n ALA 30 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1xsx n ALA 30 Cb 0.92 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.48 1xsx n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xsx n ASN 31 N -1.25 3.39 -2.93 0.00 5.15 -1.26 -4.33 115.26 114.03 1xsx n ASN 31 Ca 0.00 -2.77 -0.04 0.00 -0.60 0.00 0.00 54.58 51.17 1xsx n ASN 31 Cb 0.00 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.59 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xsx n LEU 32 N -0.24 -3.04 -0.08 1.20 -0.00 -1.26 -4.64 117.00 108.94 1xsx n LEU 32 Ca 0.28 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1xsx n LEU 32 Cb 1.05 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1xsx n LEU 32 CO 0.29 -1.10 0.14 -1.20 -0.00 0.00 0.00 177.39 175.51 1xsx n SER 33 N 1.15 0.05 -0.01 1.96 7.64 -1.26 -4.47 113.62 118.69 1xsx n SER 33 Ca -0.01 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.29 1xsx n SER 33 Cb 0.46 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.65 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 -0.36 0.01 -0.25 1.43 0.18 -1.26 0.45 117.16 117.35 1xsx n TYR 34 Ca 0.00 0.02 0.02 0.00 1.88 0.00 0.00 57.90 59.82 1xsx n TYR 34 Cb 0.01 -0.51 0.15 0.00 -0.38 0.00 0.00 39.34 38.61 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 1.01 0.00 -3.48 0.00 -1.97 -2.99 119.26 111.87 1xsx h ALA 35 Ca 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 1xsx h ALA 35 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1xsx h ALA 35 CO -0.01 -0.08 -1.92 1.28 0.00 0.00 0.00 179.25 178.52 1xsx n LEU 36 N -4.89 1.94 -0.27 0.00 4.77 1.57 -4.56 117.00 115.56 1xsx n LEU 36 Ca 0.12 0.36 0.18 0.00 -0.03 0.00 0.00 56.01 56.64 1xsx n LEU 36 Cb 0.31 -0.82 0.34 0.00 -2.33 0.00 0.00 43.42 40.92 1xsx n LEU 36 CO 0.23 0.27 0.73 0.41 -1.33 0.00 0.00 177.39 177.71 1xsx n THR 37 N -4.34 -0.34 -0.21 -5.08 -1.04 0.20 0.23 114.28 103.70 1xsx n THR 37 Ca -0.40 1.71 0.30 0.00 -2.04 0.00 0.00 64.05 63.63 1xsx n THR 37 Cb 0.74 -2.62 0.56 0.00 -1.82 0.00 0.00 70.33 67.19 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 1.63 3.41 0.00 -1.74 2.88 103.07 109.25 1xsx h GLY 38 Ca 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.74 1xsx h GLY 38 CO -0.70 0.00 -0.65 -0.09 0.00 0.00 0.00 176.54 175.10 1xsx h ARG 39 N 0.00 0.38 -0.01 4.80 2.43 0.27 -1.63 114.38 120.61 1xsx h ARG 39 Ca 0.49 -0.27 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1xsx h ARG 39 Cb 2.62 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 32.22 1xsx h ARG 39 CO -0.01 0.90 -0.63 1.88 -1.51 0.00 0.00 179.97 180.60 1xsx h TYR 40 N 0.27 0.66 0.47 2.20 0.05 0.50 -2.17 116.97 118.96 1xsx h TYR 40 Ca -0.01 -0.35 -0.02 0.00 0.05 0.00 0.00 58.73 58.39 1xsx h TYR 40 Cb 1.19 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.86 1xsx h TYR 40 CO 0.04 1.17 -0.23 0.82 -1.05 0.00 0.00 178.16 178.90 1xsx h ILE 41 N -0.03 0.49 -0.90 -2.88 2.04 -1.37 -1.02 117.51 113.84 1xsx h ILE 41 Ca -0.08 -0.30 0.10 0.00 1.00 0.00 0.00 64.86 65.59 1xsx h ILE 41 Cb 1.33 0.62 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 1xsx h ILE 41 CO 0.12 0.05 0.53 0.50 0.00 0.00 0.00 178.15 179.36 1xsx h LYS 42 N -0.83 0.85 -0.31 2.37 3.11 -1.40 -0.49 116.57 119.87 1xsx h LYS 42 Ca -0.06 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1xsx h LYS 42 Cb 0.57 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.59 1xsx h LYS 42 CO 0.11 0.56 0.16 1.98 -2.81 0.00 0.00 179.45 179.45 1xsx h MET 43 N 0.87 0.43 0.00 1.90 4.05 -1.23 0.28 114.93 121.23 1xsx h MET 43 Ca 0.44 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.79 1xsx h MET 43 Cb 0.41 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1xsx h MET 43 CO -0.26 0.38 -0.09 -0.07 0.23 0.00 0.00 176.91 177.11 1xsx h LEU 44 N 0.37 0.00 0.07 3.39 3.38 -0.05 0.12 115.31 122.59 1xsx h LEU 44 Ca 0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1xsx h LEU 44 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xsx h LEU 44 CO -0.02 0.09 -0.44 0.24 0.09 0.00 0.00 178.44 178.40 1xsx h MET 45 N 0.00 0.18 0.00 1.13 2.86 -0.08 0.27 114.93 119.28 1xsx h MET 45 Ca -0.00 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1xsx h MET 45 Cb 0.20 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1xsx h MET 45 CO 0.01 1.11 -0.01 0.22 1.06 0.00 0.00 176.91 179.30 1xsx h ASP 46 N -0.62 0.00 0.26 1.22 1.82 0.02 0.27 116.42 119.39 1xsx h ASP 46 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1xsx h ASP 46 Cb 1.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1xsx h ASP 46 CO 0.08 0.01 -0.40 0.18 -1.61 0.00 0.00 179.24 177.50 1xsx n LEU 47 N -4.27 1.00 -1.51 2.28 4.32 0.38 -4.99 117.00 114.21 1xsx n LEU 47 Ca -0.03 -0.27 -0.00 0.00 -0.02 0.00 0.00 56.01 55.69 1xsx n LEU 47 Cb 0.10 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1xsx n LEU 47 CO 0.32 0.20 0.00 1.21 -1.22 0.00 0.00 177.39 177.90 1xsx n GLU 48 N -0.86 -0.01 0.00 3.23 4.07 0.08 -5.03 120.64 122.12 1xsx n GLU 48 Ca 0.09 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1xsx n GLU 48 Cb 0.36 -1.53 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 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 -0.72 0.00 -4.08 6.31 -0.00 0.87 -4.20 119.36 117.54 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 0.22 -0.09 -0.10 0.00 -0.00 0.00 0.00 39.64 39.67 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 -1.34 4.68 0.30 1.39 1.01 -1.17 -0.20 121.20 125.87 1xsx s ILE 50 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1xsx s ILE 50 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 1xsx s ILE 50 CO 0.00 0.49 0.35 -0.13 0.00 0.00 0.00 174.94 175.64 1xsx s ARG 51 N 0.17 3.03 -0.33 2.79 0.52 0.26 -4.56 118.95 120.84 1xsx s ARG 51 Ca 0.04 -1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 54.08 1xsx s ARG 51 Cb -0.12 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 1xsx s ARG 51 CO 0.01 0.21 0.20 -1.14 0.02 0.00 0.00 175.30 174.59 1xsx s GLN 52 N -4.02 3.38 -0.38 3.54 0.74 -1.26 -1.03 119.66 120.63 1xsx s GLN 52 Ca 0.39 -0.70 -0.03 0.00 0.05 0.00 0.00 55.36 55.07 1xsx s GLN 52 Cb -0.08 -3.69 0.09 0.00 1.10 0.00 0.00 33.01 30.43 1xsx s GLN 52 CO 0.28 -0.45 0.15 -2.00 -0.55 0.00 0.00 175.29 172.73 1xsx s GLU 53 N 1.66 2.12 -1.54 1.67 -6.30 0.61 -4.60 118.70 112.33 1xsx s GLU 53 Ca 0.05 -1.66 -0.05 0.00 -2.50 0.00 0.00 54.97 50.81 1xsx s GLU 53 Cb -0.17 -3.48 0.01 0.00 0.00 0.00 0.00 34.13 30.49 1xsx s GLU 53 CO 0.08 -0.94 0.55 0.41 0.02 0.00 0.00 175.26 175.37 1xsx n GLY 54 N 4.61 -0.52 2.01 -1.50 0.00 -1.26 0.44 105.19 108.98 1xsx n GLY 54 Ca -0.05 0.12 0.00 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 -3.92 -0.01 -3.71 1.61 0.00 -1.26 -5.02 118.16 105.85 1xsx n LYS 55 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.00 1xsx n LYS 55 Cb 0.62 -3.01 -0.02 0.00 0.00 0.00 0.00 35.03 32.62 1xsx n LYS 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1xsx s GLN 56 N -0.01 3.08 -0.28 1.64 0.74 0.17 -4.88 119.66 120.12 1xsx s GLN 56 Ca 0.00 -1.03 -0.09 0.00 0.05 0.00 0.00 55.36 54.29 1xsx s GLN 56 Cb 0.00 -2.73 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 1xsx s GLN 56 CO 0.00 0.18 0.13 0.71 -0.55 0.00 0.00 175.29 175.75 1xsx s TYR 57 N -2.16 3.15 0.38 1.67 1.51 -0.93 -0.28 117.35 120.68 1xsx s TYR 57 Ca 0.41 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1xsx s TYR 57 Cb -0.08 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1xsx s TYR 57 CO 0.29 -0.34 0.09 0.00 -1.11 0.00 0.00 175.55 174.48 1xsx s MET 58 N 1.65 1.82 -0.04 -0.62 0.23 -0.20 0.83 119.30 122.97 1xsx s MET 58 Ca 0.06 -2.07 -0.11 0.00 -1.03 0.00 0.00 55.69 52.54 1xsx s MET 58 Cb -0.16 -0.75 -0.05 0.00 -1.53 0.00 0.00 34.83 32.34 1xsx s MET 58 CO 0.06 -0.35 0.30 -0.48 -2.03 0.00 0.00 175.02 172.52 1xsx s LEU 59 N -3.56 4.43 0.32 0.18 2.34 0.04 0.92 118.68 123.35 1xsx s LEU 59 Ca 0.28 0.75 0.04 0.00 0.06 0.00 0.00 54.13 55.27 1xsx s LEU 59 Cb 0.05 -2.42 -0.02 0.00 -0.56 0.00 0.00 46.19 43.24 1xsx s LEU 59 CO 0.14 0.34 0.47 -0.89 -1.06 0.00 0.00 176.35 175.36 1xsx s THR 60 N -1.09 4.67 0.30 5.48 2.01 0.72 -4.62 115.64 123.11 1xsx s THR 60 Ca 0.21 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1xsx s THR 60 Cb -0.15 -3.66 0.35 0.00 0.01 0.00 0.00 72.50 69.05 1xsx s THR 60 CO 0.10 -0.31 1.61 0.07 -0.69 0.00 0.00 174.62 175.41 1xsx h LYS 61 N 0.90 0.11 -0.25 4.92 -0.00 -1.93 1.50 116.57 121.82 1xsx h LYS 61 Ca -0.49 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.65 60.11 1xsx h LYS 61 Cb 1.24 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.43 1xsx h LYS 61 CO 0.58 0.07 -0.03 0.87 -0.00 0.00 0.00 179.45 180.94 1xsx h LYS 62 N 0.11 0.38 -0.29 0.07 6.56 -1.88 -2.49 116.57 119.03 1xsx h LYS 62 Ca 0.58 -0.07 -0.09 0.00 -1.06 0.00 0.00 60.65 60.00 1xsx h LYS 62 Cb 1.21 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.81 1xsx h LYS 62 CO -0.76 0.43 -0.18 0.78 -2.06 0.00 0.00 179.45 177.66 1xsx h GLY 63 N 0.73 0.70 1.07 3.86 0.00 0.20 -2.37 103.07 107.25 1xsx h GLY 63 Ca 0.08 -0.65 -0.09 0.00 0.00 0.00 0.00 47.33 46.67 1xsx h GLY 63 CO 0.01 0.59 0.05 0.83 0.00 0.00 0.00 176.54 178.03 1xsx h GLU 64 N 0.39 1.07 0.01 4.80 5.08 -1.17 -1.74 114.58 123.02 1xsx h GLU 64 Ca 0.06 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1xsx h GLU 64 Cb 0.72 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1xsx h GLU 64 CO 0.05 1.01 -0.09 0.93 -1.00 0.00 0.00 179.01 179.91 1xsx h GLU 65 N 0.97 -0.16 -0.92 2.33 5.08 -1.38 -1.74 114.58 118.76 1xsx h GLU 65 Ca 0.18 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1xsx h GLU 65 Cb 0.50 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1xsx h GLU 65 CO 0.02 -0.11 0.61 1.25 -1.00 0.00 0.00 179.01 179.78 1xsx h LEU 66 N -0.17 1.02 -0.73 1.33 5.85 -1.29 0.51 115.31 121.83 1xsx h LEU 66 Ca 0.03 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.87 1xsx h LEU 66 Cb 0.21 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 1xsx h LEU 66 CO -0.09 0.72 0.28 0.25 -0.34 0.00 0.00 178.44 179.27 1xsx h LEU 67 N 1.20 0.25 -0.04 2.25 5.85 -0.44 0.62 115.31 125.00 1xsx h LEU 67 Ca 0.35 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 1xsx h LEU 67 Cb -0.06 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1xsx h LEU 67 CO -0.09 0.10 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.60 1xsx h GLU 68 N 0.43 0.20 0.51 1.25 5.08 -0.75 -2.17 114.58 119.13 1xsx h GLU 68 Ca 0.40 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1xsx h GLU 68 Cb 0.59 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1xsx h GLU 68 CO -0.40 0.79 -0.45 -0.44 -1.00 0.00 0.00 179.01 177.52 1xsx h ASP 69 N -0.36 -1.20 -0.81 1.42 3.32 0.12 -2.12 116.42 116.80 1xsx h ASP 69 Ca -0.01 0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.20 1xsx h ASP 69 Cb 0.82 0.39 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1xsx h ASP 69 CO 0.04 -0.62 0.53 -0.29 -1.72 0.00 0.00 179.24 177.17 1xsx h ILE 70 N -0.95 1.03 -0.32 0.35 2.10 0.09 -1.91 117.51 117.91 1xsx h ILE 70 Ca -0.06 -0.30 0.06 0.00 1.08 0.00 0.00 64.86 65.65 1xsx h ILE 70 Cb 0.82 0.09 -0.06 0.00 -1.09 0.00 0.00 36.82 36.57 1xsx h ILE 70 CO -0.03 0.16 -0.06 0.03 -1.08 0.00 0.00 178.15 177.17 1xsx h ARG 71 N 0.87 0.02 0.23 2.19 2.47 -0.77 -2.34 114.38 117.05 1xsx h ARG 71 Ca 0.35 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.06 1xsx h ARG 71 Cb 0.25 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1xsx h ARG 71 CO -0.13 0.01 -0.11 0.87 0.56 0.00 0.00 179.97 181.18 1xsx h LYS 72 N 0.02 -0.29 -0.61 0.04 1.57 -0.73 -0.92 116.57 115.65 1xsx h LYS 72 Ca 0.16 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.05 1xsx h LYS 72 Cb 0.23 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.50 1xsx h LYS 72 CO -0.31 -0.13 -0.40 0.35 -0.57 0.00 0.00 179.45 178.39 1xsx h PHE 73 N -0.39 -1.15 -0.32 -1.35 3.57 -1.14 1.58 116.94 117.73 1xsx h PHE 73 Ca -0.03 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1xsx h PHE 73 Cb 0.30 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1xsx h PHE 73 CO -0.04 -0.41 0.13 -0.97 -2.23 0.00 0.00 178.31 174.80 1xsx h ASN 74 N -0.19 0.40 0.93 0.41 -0.73 -1.35 2.48 115.58 117.53 1xsx h ASN 74 Ca 0.21 -0.03 -0.11 0.00 1.87 0.00 0.00 56.30 58.23 1xsx h ASN 74 Cb 0.56 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1xsx h ASN 74 CO -0.70 0.37 -0.52 -0.08 -0.37 0.00 0.00 177.43 176.12 1xsx h GLU 75 N 0.45 0.00 0.01 6.67 4.81 0.23 -2.52 114.58 124.23 1xsx h GLU 75 Ca 0.11 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.98 1xsx h GLU 75 Cb 0.09 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1xsx h GLU 75 CO -0.01 0.52 -2.25 -1.33 -0.73 0.00 0.00 179.01 175.21 1xsx n MET 76 N -3.51 0.68 -0.05 1.92 2.81 0.46 -3.43 117.12 115.99 1xsx n MET 76 Ca -0.00 0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.92 1xsx n MET 76 Cb 0.62 -1.59 -0.02 0.00 -0.71 0.00 0.00 33.22 31.52 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 0.01 0.20 -0.08 0.03 1.12 0.42 0.58 114.38 116.66 1xsx h ARG 77 Ca -0.50 -0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.27 1xsx h ARG 77 Cb 2.09 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.99 1xsx h ARG 77 CO 0.01 0.13 -0.36 -0.22 -3.11 0.00 0.00 179.97 176.42 1xsx h LYS 78 N 0.21 0.16 -0.09 0.20 3.64 -1.63 -1.95 116.57 117.11 1xsx h LYS 78 Ca 0.09 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1xsx h LYS 78 Cb 0.04 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xsx h LYS 78 CO -0.08 0.50 0.02 -0.97 -2.27 0.00 0.00 179.45 176.66 1xsx h ASN 79 N 0.14 0.13 -0.02 4.20 -0.73 -1.21 0.49 115.58 118.58 1xsx h ASN 79 Ca 0.01 -0.22 0.03 0.00 1.87 0.00 0.00 56.30 58.00 1xsx h ASN 79 Cb 0.71 -0.03 -0.05 0.00 0.27 0.00 0.00 38.32 39.22 1xsx h ASN 79 CO 0.05 0.32 -0.31 -0.03 -0.37 0.00 0.00 177.43 177.09 1xsx h MET 80 N -0.07 -0.43 -0.87 6.67 4.05 0.47 1.04 114.93 125.79 1xsx h MET 80 Ca 0.03 0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1xsx h MET 80 Cb 0.24 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 1xsx h MET 80 CO 0.00 -0.29 0.57 0.22 0.23 0.00 0.00 176.91 177.64 1xsx h ASP 81 N -0.45 0.94 -0.12 1.39 3.58 -1.17 1.82 116.42 122.42 1xsx h ASP 81 Ca 0.07 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1xsx h ASP 81 Cb 0.54 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1xsx h ASP 81 CO -0.27 0.65 0.07 1.56 -2.88 0.00 0.00 179.24 178.37 1xsx h GLN 82 N 1.11 0.16 -0.47 0.28 1.08 0.14 0.61 115.11 118.01 1xsx h GLN 82 Ca 0.35 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 1xsx h GLN 82 Cb -0.01 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1xsx h GLN 82 CO -0.11 0.15 0.20 -0.07 -0.95 0.00 0.00 178.83 178.04 1xsx h LEU 83 N 0.13 0.63 -0.73 1.46 3.38 0.20 -1.68 115.31 118.70 1xsx h LEU 83 Ca 0.04 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.00 1xsx h LEU 83 Cb 0.02 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 40.51 1xsx h LEU 83 CO -0.01 0.62 0.24 0.50 0.09 0.00 0.00 178.44 179.87 1xsx h LYS 84 N 0.61 0.34 -0.45 1.13 3.64 0.35 0.29 116.57 122.47 1xsx h LYS 84 Ca 0.16 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1xsx h LYS 84 Cb 0.17 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1xsx h LYS 84 CO -0.01 0.23 0.07 1.49 -2.27 0.00 0.00 179.45 178.95 1xsx h GLU 85 N 0.35 0.70 -0.35 1.90 4.81 -0.16 -1.82 114.58 120.02 1xsx h GLU 85 Ca 0.41 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1xsx h GLU 85 Cb 0.65 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1xsx h GLU 85 CO -0.45 0.67 0.03 -0.22 -0.73 0.00 0.00 179.01 178.32 1xsx h LYS 86 N 0.68 0.52 -0.09 1.92 3.64 0.39 -0.79 116.57 122.84 1xsx h LYS 86 Ca 0.15 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1xsx h LYS 86 Cb 0.32 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1xsx h LYS 86 CO 0.00 0.52 0.00 0.82 -2.27 0.00 0.00 179.45 178.53 1xsx h ILE 87 N 0.51 1.24 -0.12 2.00 2.04 -0.39 -2.01 117.51 120.79 1xsx h ILE 87 Ca 0.11 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1xsx h ILE 87 Cb 0.28 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 1xsx h ILE 87 CO 0.00 0.22 0.01 -0.55 0.00 0.00 0.00 178.15 177.83 1xsx h ASN 88 N -0.12 0.14 0.46 1.72 -1.07 -1.07 0.37 115.58 116.01 1xsx h ASN 88 Ca 0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.36 1xsx h ASN 88 Cb 0.33 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 1xsx h ASN 88 CO 0.00 0.17 -0.22 -1.28 0.07 0.00 0.00 177.43 176.17 1xsx h SER 89 N 0.16 -0.52 0.01 6.14 0.87 -0.68 0.26 113.55 119.79 1xsx h SER 89 Ca 0.04 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 1xsx h SER 89 Cb 0.10 0.14 0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1xsx h SER 89 CO 0.00 -0.16 -0.75 0.58 -0.53 0.00 0.00 176.83 175.97 1xsx h VAL 90 N -0.93 1.39 0.00 2.23 2.07 -1.26 -2.81 116.25 116.93 1xsx h VAL 90 Ca -0.06 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.30 1xsx h VAL 90 Cb 0.58 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1xsx h VAL 90 CO 0.10 0.64 0.00 -0.11 0.02 0.00 0.00 177.57 178.22 1xsx n LEU 91 N -4.10 0.00 -1.75 2.57 7.94 0.13 -4.80 117.00 116.99 1xsx n LEU 91 Ca -0.11 0.30 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1xsx n LEU 91 Cb 0.74 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1xsx n LEU 91 CO 0.50 -0.12 0.00 -0.24 -1.11 0.00 0.00 177.39 176.41 1xsx n SER 92 N -1.30 -0.55 0.00 1.96 2.88 0.91 -4.32 113.62 113.20 1xsx n SER 92 Ca 0.08 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1xsx n SER 92 Cb 0.15 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1xsx n SER 92 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsx n ILE 93 N -1.72 0.00 -2.06 2.46 5.41 -1.17 0.55 119.36 122.83 1xsx n ILE 93 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1xsx n ILE 93 Cb 0.27 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.19 1xsx n ILE 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1xsx n ARG 94 N 0.00 0.00 -0.11 0.38 0.00 -1.26 -5.16 116.66 110.51 1xsx n ARG 94 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 57.85 57.11 1xsx n ARG 94 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 32.46 32.38 1xsx n ARG 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67