#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 -4.25 0.00 0.00 5.02 -1.26 -4.64 118.16 113.04 1xsx n LYS 2 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1xsx n LYS 2 Cb 0.00 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 1xsx n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xsx n LYS 3 N -4.38 0.00 -4.14 1.97 5.02 -1.26 -5.03 118.16 110.33 1xsx n LYS 3 Ca -0.24 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.94 1xsx n LYS 3 Cb 0.65 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.58 1xsx n LYS 3 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xsx s LYS 4 N -0.25 1.35 0.00 1.97 1.02 -1.26 -1.55 119.74 121.01 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 -0.49 0.00 0.45 -0.92 0.00 0.00 175.35 174.39 1xsx n SER 5 N -0.40 0.00 0.00 2.83 2.88 -1.26 -4.26 113.62 113.41 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 1.17 -1.23 0.00 0.00 175.04 174.98 1xsx n LYS 6 N -2.00 0.00 -0.04 -1.46 4.81 -1.26 -4.96 118.16 113.25 1xsx n LYS 6 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 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 1.28 1.17 0.00 0.00 177.40 179.85 1xsx n LEU 7 N -0.07 0.98 0.01 3.14 4.32 -1.26 -4.37 117.00 119.76 1xsx n LEU 7 Ca 0.00 0.30 -0.01 0.00 -0.02 0.00 0.00 56.01 56.28 1xsx n LEU 7 Cb 0.00 -0.66 -0.00 0.00 -1.62 0.00 0.00 43.42 41.14 1xsx n LEU 7 CO 0.00 -0.43 0.10 -0.08 -1.22 0.00 0.00 177.39 175.77 1xsx h GLU 8 N -0.52 -0.06 -0.63 3.23 4.81 -1.59 -2.62 114.58 117.21 1xsx h GLU 8 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1xsx h GLU 8 Cb 0.41 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.69 1xsx h GLU 8 CO 0.00 -0.04 0.18 -0.89 -0.73 0.00 0.00 179.01 177.53 1xsx n ILE 9 N -2.63 -0.26 0.31 2.32 2.08 -1.26 0.27 119.36 120.19 1xsx n ILE 9 Ca -0.01 1.33 -0.16 0.00 0.56 0.00 0.00 62.75 64.47 1xsx n ILE 9 Cb 0.02 -2.04 -0.08 0.00 -0.75 0.00 0.00 39.64 36.79 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 0.40 -0.94 1.39 2.04 -1.76 -1.90 117.51 116.74 1xsx h ILE 10 Ca 0.46 -0.17 0.28 0.00 1.00 0.00 0.00 64.86 66.43 1xsx h ILE 10 Cb 1.10 0.47 -0.16 0.00 -0.74 0.00 0.00 36.82 37.49 1xsx h ILE 10 CO -0.54 0.03 0.22 1.56 0.00 0.00 0.00 178.15 179.42 1xsx h GLN 11 N -0.88 0.11 -0.41 2.37 4.20 0.43 2.32 115.11 123.24 1xsx h GLN 11 Ca -0.08 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1xsx h GLN 11 Cb 0.63 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1xsx h GLN 11 CO 0.13 0.07 0.05 0.00 -0.67 0.00 0.00 178.83 178.41 1xsx h ALA 12 N 1.89 1.31 -0.30 3.87 0.00 -1.03 -0.38 119.26 124.61 1xsx h ALA 12 Ca 0.62 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 55.18 1xsx h ALA 12 Cb 1.34 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xsx h ALA 12 CO -0.76 0.48 -0.40 0.82 0.00 0.00 0.00 179.25 179.39 1xsx h ILE 13 N 0.62 1.29 -0.50 0.00 2.04 0.44 -1.04 117.51 120.36 1xsx h ILE 13 Ca 0.13 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 1xsx h ILE 13 Cb 0.31 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1xsx h ILE 13 CO 0.01 0.51 0.24 0.25 0.00 0.00 0.00 178.15 179.16 1xsx h LEU 14 N 0.57 0.65 -1.18 1.44 6.46 0.33 -2.04 115.31 121.55 1xsx h LEU 14 Ca 0.04 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.63 1xsx h LEU 14 Cb 0.99 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.74 1xsx h LEU 14 CO 0.09 0.60 -0.19 -0.33 -0.62 0.00 0.00 178.44 177.99 1xsx h GLU 15 N 0.67 0.00 -0.23 1.25 5.08 -1.01 -2.55 114.58 117.79 1xsx h GLU 15 Ca 0.17 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 1xsx h GLU 15 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xsx h GLU 15 CO -0.02 0.19 -0.51 0.00 -1.00 0.00 0.00 179.01 177.67 1xsx h ALA 16 N 1.81 0.68 -0.00 3.43 0.00 -0.48 -2.79 119.26 121.91 1xsx h ALA 16 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xsx h ALA 16 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xsx h ALA 16 CO 0.03 0.68 -0.19 0.00 0.00 0.00 0.00 179.25 179.76 1xsx n LYS 18 N -1.47 0.00 -0.97 0.00 2.85 -0.98 -1.63 118.16 115.96 1xsx n LYS 18 Ca 0.07 0.05 -0.05 0.00 -1.05 0.00 0.00 58.31 57.33 1xsx n LYS 18 Cb 0.33 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.10 1xsx n LYS 18 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xsx n SER 19 N -0.82 -0.64 -1.95 -5.58 7.64 -1.26 -4.72 113.62 106.30 1xsx n SER 19 Ca 0.00 -1.86 -0.02 0.00 1.01 0.00 0.00 58.87 58.00 1xsx n SER 19 Cb 0.07 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.05 -3.86 3.05 0.23 0.00 -0.67 -4.98 105.19 99.02 1xsx n GLY 20 Ca -0.20 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.31 -0.08 1.08 1.61 0.01 0.90 -4.83 113.70 112.08 1xsx s SER 21 Ca -0.11 0.57 -0.16 0.00 1.31 0.00 0.00 55.95 57.56 1xsx s SER 21 Cb 0.01 0.52 0.11 0.00 0.21 0.00 0.00 66.02 66.86 1xsx s SER 21 CO 0.32 -0.19 0.25 -2.65 0.41 0.00 0.00 173.24 171.39 1xsx n PRO 22 N 4.59 -1.31 0.25 12.44 -0.02 -1.26 -2.29 135.00 147.39 1xsx n PRO 22 Ca -0.19 -0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.01 1xsx n PRO 22 Cb 0.52 -1.81 0.61 0.00 -0.02 0.00 0.00 33.50 32.80 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 -2.00 0.00 -0.37 -0.52 3.64 -1.97 -2.57 116.57 112.78 1xsx h LYS 23 Ca -0.52 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.81 1xsx h LYS 23 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1xsx h LYS 23 CO 0.38 0.05 0.01 1.79 -2.27 0.00 0.00 179.45 179.41 1xsx h THR 24 N 0.00 1.26 0.00 1.00 1.35 -1.99 -2.33 112.91 112.19 1xsx h THR 24 Ca -0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1xsx h THR 24 Cb 0.08 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1xsx h THR 24 CO 0.01 0.33 0.00 0.54 -0.25 0.00 0.00 175.52 176.15 1xsx n ARG 25 N -4.49 0.00 0.07 4.72 5.12 -0.97 -0.19 116.66 120.92 1xsx n ARG 25 Ca -0.01 0.29 0.03 0.00 -1.93 0.00 0.00 57.85 56.22 1xsx n ARG 25 Cb 0.27 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.51 -0.90 0.55 2.04 -1.48 -3.31 117.51 114.91 1xsx h ILE 26 Ca 0.00 -1.88 0.03 0.00 1.00 0.00 0.00 64.86 64.01 1xsx h ILE 26 Cb 0.01 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1xsx h ILE 26 CO 0.00 0.29 0.59 -0.03 0.00 0.00 0.00 178.15 179.00 1xsx h MET 27 N 0.00 1.12 0.00 2.37 4.05 -0.67 0.54 114.93 122.33 1xsx h MET 27 Ca -0.10 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1xsx h MET 27 Cb 1.44 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1xsx h MET 27 CO 0.04 0.74 0.00 0.98 0.23 0.00 0.00 176.91 178.91 1xsx n TYR 28 N -4.51 0.00 -0.05 1.39 9.36 -1.25 0.01 117.16 122.12 1xsx n TYR 28 Ca 0.11 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.27 1xsx n TYR 28 Cb 0.08 -0.22 -0.14 0.00 -0.63 0.00 0.00 39.34 38.43 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 -1.22 -1.03 0.00 2.98 0.00 0.19 -5.05 105.19 101.06 1xsx n GLY 29 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.59 0.00 -1.41 4.61 0.00 0.10 -4.99 120.51 116.23 1xsx n ALA 30 Ca -0.22 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.69 1xsx n ALA 30 Cb 1.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 1.86 -4.66 0.00 5.15 -1.26 -4.38 115.26 111.98 1xsx n ASN 31 Ca 0.00 0.48 -0.43 0.00 -0.60 0.00 0.00 54.58 54.03 1xsx n ASN 31 Cb 0.00 -1.19 -0.02 0.00 -0.53 0.00 0.00 39.78 38.04 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xsx s LEU 32 N 6.96 4.10 0.00 1.20 1.98 -1.26 -4.83 118.68 126.82 1xsx s LEU 32 Ca 1.11 1.40 0.00 0.00 -2.89 0.00 0.00 54.13 53.75 1xsx s LEU 32 Cb -0.99 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.32 1xsx s LEU 32 CO 0.53 -0.70 0.74 -1.20 -1.89 0.00 0.00 176.35 173.82 1xsx n SER 33 N 6.42 0.06 -0.01 3.68 7.64 -1.26 -4.57 113.62 125.59 1xsx n SER 33 Ca 0.12 -1.54 0.01 0.00 1.01 0.00 0.00 58.87 58.47 1xsx n SER 33 Cb 0.46 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.45 0.02 -0.16 1.43 0.18 -1.26 0.50 117.16 117.43 1xsx n TYR 34 Ca 0.00 0.04 -0.03 0.00 1.88 0.00 0.00 57.90 59.78 1xsx n TYR 34 Cb 0.02 -0.53 0.06 0.00 -0.38 0.00 0.00 39.34 38.51 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 0.06 0.62 0.00 -3.48 0.00 -2.02 -3.09 119.26 111.35 1xsx h ALA 35 Ca 0.02 0.06 -0.39 0.00 0.00 0.00 0.00 54.91 54.59 1xsx h ALA 35 Cb 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1xsx h ALA 35 CO -0.03 -0.19 -2.15 -0.11 0.00 0.00 0.00 179.25 176.78 1xsx n LEU 36 N -4.98 1.94 -0.54 0.00 -0.00 1.89 -4.42 117.00 110.90 1xsx n LEU 36 Ca 0.05 0.36 0.44 0.00 -0.00 0.00 0.00 56.01 56.86 1xsx n LEU 36 Cb 0.19 -0.87 0.67 0.00 -0.00 0.00 0.00 43.42 43.41 1xsx n LEU 36 CO 0.25 0.49 1.34 0.41 -0.00 0.00 0.00 177.39 179.88 1xsx n THR 37 N -4.29 0.00 0.20 1.96 -1.04 0.33 0.86 114.28 112.30 1xsx n THR 37 Ca -0.48 1.34 0.11 0.00 -2.04 0.00 0.00 64.05 62.99 1xsx n THR 37 Cb 0.83 -2.27 0.36 0.00 -1.82 0.00 0.00 70.33 67.42 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 1.68 3.41 0.00 -1.74 2.53 103.07 108.95 1xsx h GLY 38 Ca 0.77 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.94 1xsx h GLY 38 CO -0.01 0.00 -0.62 -0.09 0.00 0.00 0.00 176.54 175.82 1xsx h ARG 39 N 0.00 0.32 0.01 4.80 2.43 0.13 -1.14 114.38 120.93 1xsx h ARG 39 Ca 0.12 -0.23 -0.15 0.00 -0.81 0.00 0.00 59.98 58.91 1xsx h ARG 39 Cb 1.77 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.37 1xsx h ARG 39 CO -0.00 0.84 -0.58 1.88 -1.51 0.00 0.00 179.97 180.60 1xsx h TYR 40 N 0.24 0.58 0.32 2.20 0.05 0.42 -1.77 116.97 119.00 1xsx h TYR 40 Ca -0.01 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.44 1xsx h TYR 40 Cb 1.15 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1xsx h TYR 40 CO 0.03 1.14 -0.15 0.82 -1.05 0.00 0.00 178.16 178.95 1xsx h ILE 41 N -0.15 0.71 -0.24 -2.88 2.04 -1.48 -0.49 117.51 115.01 1xsx h ILE 41 Ca -0.07 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1xsx h ILE 41 Cb 1.30 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1xsx h ILE 41 CO 0.11 0.06 -0.04 0.50 0.00 0.00 0.00 178.15 178.78 1xsx h LYS 42 N -0.58 0.02 -0.28 2.37 1.63 -1.31 0.09 116.57 118.51 1xsx h LYS 42 Ca -0.04 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1xsx h LYS 42 Cb 0.42 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.99 1xsx h LYS 42 CO 0.07 0.01 -0.09 1.98 -3.45 0.00 0.00 179.45 177.98 1xsx h MET 43 N 0.02 -0.03 -0.21 1.90 4.05 -1.19 0.58 114.93 120.06 1xsx h MET 43 Ca 0.12 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.47 1xsx h MET 43 Cb 0.17 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.96 1xsx h MET 43 CO -0.23 -0.02 -0.17 -0.07 0.23 0.00 0.00 176.91 176.64 1xsx h LEU 44 N -0.03 0.35 -0.00 3.39 3.38 -0.53 -0.25 115.31 121.62 1xsx h LEU 44 Ca 0.14 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1xsx h LEU 44 Cb 0.24 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xsx h LEU 44 CO -0.30 0.55 -0.56 0.24 0.09 0.00 0.00 178.44 178.46 1xsx h MET 45 N 0.34 0.38 0.00 1.13 2.86 -0.11 0.22 114.93 119.74 1xsx h MET 45 Ca 0.06 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.28 1xsx h MET 45 Cb 0.51 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 1xsx h MET 45 CO 0.03 1.08 -0.06 0.22 1.06 0.00 0.00 176.91 179.25 1xsx h ASP 46 N -0.15 0.00 0.22 1.22 3.58 0.29 -0.63 116.42 120.96 1xsx h ASP 46 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1xsx h ASP 46 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1xsx h ASP 46 CO 0.11 0.06 -0.64 0.18 -2.88 0.00 0.00 179.24 176.07 1xsx n LEU 47 N -3.70 0.94 -1.38 2.28 4.32 -0.12 -4.99 117.00 114.34 1xsx n LEU 47 Ca -0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1xsx n LEU 47 Cb 0.16 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1xsx n LEU 47 CO 0.28 0.21 0.00 1.21 -1.22 0.00 0.00 177.39 177.87 1xsx n GLU 48 N -1.20 0.00 0.00 3.23 4.07 -0.24 -5.02 120.64 121.48 1xsx n GLU 48 Ca 0.06 0.46 0.00 0.00 -0.06 0.00 0.00 57.16 57.63 1xsx n GLU 48 Cb 0.35 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 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 -0.79 0.00 -4.00 6.31 -0.00 0.67 -4.12 119.36 117.44 1xsx n ILE 49 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 62.75 62.43 1xsx n ILE 49 Cb 0.32 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.64 39.89 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 -1.05 5.01 0.45 1.39 1.01 -1.13 -2.29 121.20 124.59 1xsx s ILE 50 Ca 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1xsx s ILE 50 Cb 0.00 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 39.12 1xsx s ILE 50 CO 0.00 0.24 0.57 -0.60 0.00 0.00 0.00 174.94 175.15 1xsx s ARG 51 N -2.11 2.66 -0.27 2.79 3.00 0.55 -4.57 118.95 121.00 1xsx s ARG 51 Ca 0.28 -1.40 -0.03 0.00 -1.00 0.00 0.00 55.73 53.58 1xsx s ARG 51 Cb -0.12 -2.64 0.11 0.00 0.00 0.00 0.00 34.95 32.29 1xsx s ARG 51 CO 0.20 -0.38 0.18 1.14 0.00 0.00 0.00 175.30 176.45 1xsx s GLN 52 N -4.36 0.21 -0.31 5.12 -2.07 -1.26 -2.08 119.66 114.92 1xsx s GLN 52 Ca 0.54 -0.28 0.01 0.00 -1.82 0.00 0.00 55.36 53.81 1xsx s GLN 52 Cb -0.08 -1.10 0.07 0.00 -1.09 0.00 0.00 33.01 30.82 1xsx s GLN 52 CO 0.33 -0.94 -0.00 -1.83 -1.32 0.00 0.00 175.29 171.53 1xsx s GLU 53 N 2.21 2.14 -1.00 9.60 -1.05 0.10 -4.64 118.70 126.06 1xsx s GLU 53 Ca 0.08 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.43 1xsx s GLU 53 Cb -0.15 -3.14 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 1xsx s GLU 53 CO -0.30 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 175.60 1xsx n GLY 54 N 4.49 -0.10 2.13 -3.83 0.00 -1.26 -1.68 105.19 104.94 1xsx n GLY 54 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.12 0.00 -3.92 1.61 4.81 -1.26 -5.02 118.16 112.26 1xsx n LYS 55 Ca -0.14 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.98 1xsx n LYS 55 Cb 0.60 -2.30 -0.05 0.00 0.02 0.00 0.00 35.03 33.30 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 -0.16 3.42 -0.26 1.64 0.74 -0.68 -4.67 119.66 119.68 1xsx s GLN 56 Ca 0.00 -0.37 -0.10 0.00 0.05 0.00 0.00 55.36 54.94 1xsx s GLN 56 Cb 0.00 -3.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 1xsx s GLN 56 CO 0.00 0.65 0.15 0.71 -0.55 0.00 0.00 175.29 176.25 1xsx s TYR 57 N -1.38 3.20 0.49 1.67 1.51 -0.97 0.03 117.35 121.90 1xsx s TYR 57 Ca 0.30 -0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.38 1xsx s TYR 57 Cb -0.13 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.38 1xsx s TYR 57 CO 0.22 -0.17 0.01 1.41 -1.11 0.00 0.00 175.55 175.91 1xsx s MET 58 N 1.59 2.13 -0.07 -0.62 1.75 -0.88 -0.07 119.30 123.14 1xsx s MET 58 Ca 0.07 -2.34 -0.14 0.00 -1.25 0.00 0.00 55.69 52.03 1xsx s MET 58 Cb -0.15 -1.48 -0.05 0.00 2.84 0.00 0.00 34.83 35.99 1xsx s MET 58 CO 0.08 -0.32 0.36 -1.17 -0.65 0.00 0.00 175.02 173.32 1xsx s LEU 59 N -3.83 4.39 0.14 4.11 1.98 -0.65 0.20 118.68 125.02 1xsx s LEU 59 Ca 0.12 0.78 -0.01 0.00 -2.89 0.00 0.00 54.13 52.13 1xsx s LEU 59 Cb 0.03 -2.49 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 1xsx s LEU 59 CO 0.06 0.24 0.32 0.42 -1.89 0.00 0.00 176.35 175.50 1xsx s THR 60 N -0.49 5.27 0.22 3.68 -4.23 -0.97 -4.68 115.64 114.45 1xsx s THR 60 Ca 0.21 -0.31 -0.13 0.00 -1.18 0.00 0.00 61.69 60.28 1xsx s THR 60 Cb -0.15 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.28 1xsx s THR 60 CO 0.10 -0.01 1.62 0.11 -0.54 0.00 0.00 174.62 175.89 1xsx h LYS 61 N 2.56 -0.00 -0.86 3.99 6.56 -1.95 1.00 116.57 127.86 1xsx h LYS 61 Ca -0.47 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.17 1xsx h LYS 61 Cb 1.18 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.78 1xsx h LYS 61 CO 0.72 -0.00 0.57 0.87 -2.06 0.00 0.00 179.45 179.54 1xsx h LYS 62 N -0.00 0.99 -0.49 3.15 1.57 -1.90 -0.75 116.57 119.14 1xsx h LYS 62 Ca 0.33 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1xsx h LYS 62 Cb 0.50 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1xsx h LYS 62 CO -0.71 0.66 -0.04 0.78 -0.57 0.00 0.00 179.45 179.57 1xsx h GLY 63 N 1.02 0.97 0.99 3.86 0.00 0.76 -1.85 103.07 108.82 1xsx h GLY 63 Ca 0.36 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1xsx h GLY 63 CO -0.12 0.68 0.29 0.83 0.00 0.00 0.00 176.54 178.22 1xsx h GLU 64 N 0.75 0.86 -0.29 4.80 5.08 0.35 -0.21 114.58 125.93 1xsx h GLU 64 Ca 0.14 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xsx h GLU 64 Cb 0.56 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1xsx h GLU 64 CO 0.03 0.69 0.16 0.93 -1.00 0.00 0.00 179.01 179.83 1xsx h GLU 65 N 0.81 0.38 -0.01 2.33 5.08 -0.93 -2.25 114.58 119.99 1xsx h GLU 65 Ca 0.20 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 1xsx h GLU 65 Cb 0.12 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.30 1xsx h GLU 65 CO -0.03 0.28 -0.80 1.25 -1.00 0.00 0.00 179.01 178.71 1xsx h LEU 66 N 0.39 0.72 -0.64 1.33 7.12 -0.47 -1.97 115.31 121.80 1xsx h LEU 66 Ca 0.10 -0.74 0.11 0.00 0.13 0.00 0.00 57.88 57.48 1xsx h LEU 66 Cb -0.00 -0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 39.83 1xsx h LEU 66 CO -0.02 1.37 0.23 0.25 -0.13 0.00 0.00 178.44 180.14 1xsx h LEU 67 N 0.15 0.21 -0.20 2.25 5.85 -0.50 0.33 115.31 123.39 1xsx h LEU 67 Ca -0.10 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1xsx h LEU 67 Cb 1.48 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1xsx h LEU 67 CO 0.16 0.11 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.93 1xsx h GLU 68 N 0.40 0.44 -0.21 1.25 3.07 -1.47 -2.08 114.58 115.97 1xsx h GLU 68 Ca 0.33 -0.20 0.05 0.00 -0.50 0.00 0.00 59.36 59.04 1xsx h GLU 68 Cb 0.45 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.30 1xsx h GLU 68 CO -0.34 0.73 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.48 1xsx h ASP 69 N 0.13 -0.29 -0.95 1.42 3.32 -0.45 -0.15 116.42 119.44 1xsx h ASP 69 Ca 0.04 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.25 1xsx h ASP 69 Cb 0.61 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.26 1xsx h ASP 69 CO 0.03 -0.11 0.62 0.40 -1.72 0.00 0.00 179.24 178.46 1xsx h ILE 70 N -0.05 1.03 0.34 0.35 2.04 -0.33 -2.04 117.51 118.84 1xsx h ILE 70 Ca 0.11 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1xsx h ILE 70 Cb 0.22 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1xsx h ILE 70 CO -0.25 0.19 -0.27 -0.09 0.00 0.00 0.00 178.15 177.73 1xsx h ARG 71 N 1.05 -0.59 0.10 2.37 2.43 -0.34 -2.43 114.38 116.97 1xsx h ARG 71 Ca 0.43 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1xsx h ARG 71 Cb 0.28 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1xsx h ARG 71 CO -0.18 -0.40 -0.26 0.87 -1.51 0.00 0.00 179.97 178.49 1xsx h LYS 72 N -0.62 -0.39 -0.95 0.20 1.57 -0.57 0.31 116.57 116.13 1xsx h LYS 72 Ca -0.02 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1xsx h LYS 72 Cb 0.54 0.09 -0.13 0.00 0.08 0.00 0.00 32.23 32.81 1xsx h LYS 72 CO -0.02 -0.26 -0.52 0.35 -0.57 0.00 0.00 179.45 178.44 1xsx h PHE 73 N -0.40 -1.61 -0.26 -1.35 3.57 -1.42 1.83 116.94 117.31 1xsx h PHE 73 Ca -0.01 0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1xsx h PHE 73 Cb 0.39 0.83 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1xsx h PHE 73 CO -0.33 -0.39 0.13 -0.97 -2.23 0.00 0.00 178.31 174.52 1xsx h ASN 74 N -0.03 0.31 0.58 0.41 -1.24 -1.23 2.48 115.58 116.86 1xsx h ASN 74 Ca 0.22 -0.02 -0.16 0.00 0.71 0.00 0.00 56.30 57.05 1xsx h ASN 74 Cb 0.48 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 1xsx h ASN 74 CO -0.93 0.26 -0.71 -0.08 -1.29 0.00 0.00 177.43 174.69 1xsx h GLU 75 N 0.35 0.11 0.05 6.67 4.22 0.62 -2.21 114.58 124.38 1xsx h GLU 75 Ca 0.09 -0.09 -0.36 0.00 0.08 0.00 0.00 59.36 59.08 1xsx h GLU 75 Cb 0.03 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1xsx h GLU 75 CO -0.01 0.77 -2.18 -1.33 -2.18 0.00 0.00 179.01 174.07 1xsx n MET 76 N -3.75 0.69 -0.09 1.92 2.81 0.41 -3.44 117.12 115.68 1xsx n MET 76 Ca -0.02 0.19 -0.08 0.00 -1.81 0.00 0.00 57.70 55.98 1xsx n MET 76 Cb 0.69 -1.63 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.03 0.39 -0.71 0.03 1.12 0.41 0.72 114.38 116.37 1xsx h ARG 77 Ca -0.48 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.35 1xsx h ARG 77 Cb 2.02 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 31.85 1xsx h ARG 77 CO 0.02 0.26 0.36 -0.22 -3.11 0.00 0.00 179.97 177.28 1xsx h LYS 78 N 0.41 1.00 -0.05 0.20 3.64 -1.55 -0.53 116.57 119.68 1xsx h LYS 78 Ca 0.12 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xsx h LYS 78 Cb -0.02 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1xsx h LYS 78 CO -0.05 0.76 0.02 -0.97 -2.27 0.00 0.00 179.45 176.94 1xsx h ASN 79 N 1.00 0.07 0.22 4.20 -0.00 -1.23 0.16 115.58 120.00 1xsx h ASN 79 Ca 0.25 -0.18 0.01 0.00 -0.00 0.00 0.00 56.30 56.38 1xsx h ASN 79 Cb 0.07 -0.02 -0.04 0.00 -0.00 0.00 0.00 38.32 38.33 1xsx h ASN 79 CO -0.04 0.23 -0.43 -0.03 -0.00 0.00 0.00 177.43 177.17 1xsx h MET 80 N -0.10 -0.70 -0.85 6.67 4.05 0.11 1.33 114.93 125.45 1xsx h MET 80 Ca 0.02 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1xsx h MET 80 Cb 0.19 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 1xsx h MET 80 CO -0.00 -0.47 0.52 0.22 0.23 0.00 0.00 176.91 177.41 1xsx h ASP 81 N -0.73 0.81 -0.25 1.39 1.82 -1.05 2.42 116.42 120.84 1xsx h ASP 81 Ca -0.00 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1xsx h ASP 81 Cb 0.71 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1xsx h ASP 81 CO -0.19 0.51 0.15 -0.61 -1.61 0.00 0.00 179.24 177.49 1xsx h GLN 82 N 0.94 0.35 -0.38 0.28 5.75 0.27 0.12 115.11 122.44 1xsx h GLN 82 Ca 0.38 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.80 1xsx h GLN 82 Cb 0.20 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1xsx h GLN 82 CO -0.18 0.28 0.08 -0.07 -2.65 0.00 0.00 178.83 176.29 1xsx h LEU 83 N 0.31 0.58 -0.56 -2.39 3.38 0.32 -2.18 115.31 114.78 1xsx h LEU 83 Ca 0.09 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1xsx h LEU 83 Cb 0.03 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.54 1xsx h LEU 83 CO -0.02 0.67 0.04 0.50 0.09 0.00 0.00 178.44 179.73 1xsx h LYS 84 N 0.47 0.16 -0.55 1.13 3.64 0.47 0.33 116.57 122.21 1xsx h LYS 84 Ca 0.12 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1xsx h LYS 84 Cb 0.33 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1xsx h LYS 84 CO 0.00 0.10 0.17 1.49 -2.27 0.00 0.00 179.45 178.94 1xsx h GLU 85 N 0.16 0.83 -0.58 1.90 4.81 -0.49 -1.96 114.58 119.25 1xsx h GLU 85 Ca 0.29 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1xsx h GLU 85 Cb 0.44 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1xsx h GLU 85 CO -0.44 0.72 0.09 -0.22 -0.73 0.00 0.00 179.01 178.43 1xsx h LYS 86 N 0.81 0.93 0.30 1.92 3.64 -0.37 -0.85 116.57 122.94 1xsx h LYS 86 Ca 0.18 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xsx h LYS 86 Cb 0.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xsx h LYS 86 CO -0.01 0.87 -0.15 0.82 -2.27 0.00 0.00 179.45 178.71 1xsx h ILE 87 N 0.88 0.73 -0.01 2.00 2.04 -0.37 -2.38 117.51 120.40 1xsx h ILE 87 Ca 0.18 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1xsx h ILE 87 Cb 0.39 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1xsx h ILE 87 CO 0.01 0.06 -0.01 0.78 0.00 0.00 0.00 178.15 179.00 1xsx h ASN 88 N -0.56 0.01 0.41 1.72 2.35 -1.25 0.24 115.58 118.50 1xsx h ASN 88 Ca -0.04 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1xsx h ASN 88 Cb 0.41 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1xsx h ASN 88 CO 0.07 0.02 -0.20 -1.28 -1.65 0.00 0.00 177.43 174.39 1xsx h SER 89 N 0.01 -0.47 -0.01 5.81 0.87 -0.66 0.22 113.55 119.32 1xsx h SER 89 Ca 0.00 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.33 1xsx h SER 89 Cb 0.02 0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.12 1xsx h SER 89 CO 0.00 -0.30 -0.96 0.58 -0.53 0.00 0.00 176.83 175.63 1xsx h VAL 90 N -0.64 1.30 0.00 2.23 2.07 -1.40 -3.05 116.25 116.75 1xsx h VAL 90 Ca -0.06 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1xsx h VAL 90 Cb 0.43 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1xsx h VAL 90 CO 0.09 0.68 0.00 -0.11 0.02 0.00 0.00 177.57 178.25 1xsx n LEU 91 N -3.92 0.60 0.00 2.57 7.94 0.83 -4.82 117.00 120.20 1xsx n LEU 91 Ca -0.11 0.62 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1xsx n LEU 91 Cb 0.84 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 44.29 1xsx n LEU 91 CO 0.54 -0.41 0.00 -1.20 -1.11 0.00 0.00 177.39 175.22 1xsx n SER 92 N -2.13 0.00 0.00 1.96 7.64 0.76 -4.47 113.62 117.38 1xsx n SER 92 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1xsx n SER 92 Cb 0.28 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.12 0.00 -1.94 0.44 5.41 -1.26 -3.16 119.36 118.74 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 0.00 0.38 0.00 -1.26 -5.19 116.66 110.58 1xsx n ARG 94 Ca 0.00 -0.36 0.13 0.00 -0.00 0.00 0.00 57.85 57.62 1xsx n ARG 94 Cb 0.00 -0.19 0.76 0.00 -0.00 0.00 0.00 32.46 33.03 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57