#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 3.65 0.09 0.00 1.02 -1.26 -4.89 119.74 118.34 1xsx s LYS 2 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.60 1xsx s LYS 2 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1xsx s LYS 2 CO 0.00 -0.39 0.00 0.36 -0.92 0.00 0.00 175.35 174.40 1xsx n LYS 3 N -2.35 0.00 0.00 1.68 2.85 -1.26 -4.95 118.16 114.13 1xsx n LYS 3 Ca 0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1xsx n LYS 3 Cb 0.54 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.92 1xsx n LYS 3 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xsx n LYS 4 N -2.93 0.00 -0.90 -1.58 4.76 -1.26 -3.46 118.16 112.79 1xsx n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1xsx n LYS 4 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1xsx n LYS 4 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xsx n SER 5 N 0.00 -2.70 0.00 4.39 2.88 -1.26 -4.54 113.62 112.39 1xsx n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xsx n SER 5 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.90 0.00 -0.03 -1.46 4.81 -1.26 -4.95 118.16 112.37 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 0.00 0.66 -0.00 3.14 7.94 -1.26 -4.43 117.00 123.05 1xsx n LEU 7 Ca 0.00 0.20 -0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1xsx n LEU 7 Cb 0.00 -0.60 -0.00 0.00 0.53 0.00 0.00 43.42 43.35 1xsx n LEU 7 CO 0.00 -0.44 0.03 -0.08 -1.11 0.00 0.00 177.39 175.78 1xsx h GLU 8 N -0.35 -0.01 -0.72 1.96 4.57 -1.91 -2.51 114.58 115.61 1xsx h GLU 8 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.41 1xsx h GLU 8 Cb 0.29 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.76 1xsx h GLU 8 CO 0.00 -0.01 0.13 -0.89 -1.18 0.00 0.00 179.01 177.06 1xsx n ILE 9 N -2.56 -0.30 0.33 2.32 -0.00 -1.22 0.21 119.36 118.14 1xsx n ILE 9 Ca -0.00 1.54 -0.17 0.00 -0.00 0.00 0.00 62.75 64.11 1xsx n ILE 9 Cb 0.01 -2.32 -0.09 0.00 -0.00 0.00 0.00 39.64 37.24 1xsx n ILE 9 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1xsx h ILE 10 N 0.00 0.32 -0.09 1.39 1.08 -1.77 -1.32 117.51 117.11 1xsx h ILE 10 Ca 0.49 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.94 1xsx h ILE 10 Cb 1.11 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1xsx h ILE 10 CO -0.64 0.00 -0.02 1.56 -0.69 0.00 0.00 178.15 178.36 1xsx h GLN 11 N -0.87 0.13 -0.52 2.37 1.08 0.30 -1.57 115.11 116.04 1xsx h GLN 11 Ca -0.08 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 56.98 1xsx h GLN 11 Cb 0.69 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1xsx h GLN 11 CO 0.10 0.17 -0.16 0.00 -0.95 0.00 0.00 178.83 177.99 1xsx h ALA 12 N 1.85 0.73 -0.23 3.87 0.00 -0.12 -1.55 119.26 123.81 1xsx h ALA 12 Ca 0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 1xsx h ALA 12 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xsx h ALA 12 CO 0.00 0.68 -0.54 0.82 0.00 0.00 0.00 179.25 180.21 1xsx h ILE 13 N 0.90 1.30 -0.51 0.00 2.04 -0.65 -2.02 117.51 118.56 1xsx h ILE 13 Ca 0.13 -1.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.21 1xsx h ILE 13 Cb 0.74 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1xsx h ILE 13 CO 0.06 0.56 0.17 0.25 0.00 0.00 0.00 178.15 179.19 1xsx h LEU 14 N 0.50 0.72 -0.59 1.44 6.46 -1.25 -2.27 115.31 120.33 1xsx h LEU 14 Ca -0.00 -0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.42 1xsx h LEU 14 Cb 1.15 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1xsx h LEU 14 CO 0.12 0.72 -0.44 -0.33 -0.62 0.00 0.00 178.44 177.89 1xsx h GLU 15 N 0.68 0.61 -0.50 1.25 5.08 -1.29 -2.33 114.58 118.08 1xsx h GLU 15 Ca 0.16 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1xsx h GLU 15 Cb 0.25 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xsx h GLU 15 CO -0.01 0.93 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 1xsx h ALA 16 N 1.02 1.06 0.00 3.43 0.00 -1.20 -1.79 119.26 121.78 1xsx h ALA 16 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xsx h ALA 16 Cb 0.97 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xsx h ALA 16 CO 0.09 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.93 1xsx n LYS 18 N -2.15 0.00 -0.95 0.00 2.85 -0.67 -1.00 118.16 116.23 1xsx n LYS 18 Ca 0.05 0.08 -0.04 0.00 -1.05 0.00 0.00 58.31 57.34 1xsx n LYS 18 Cb 0.36 -1.59 -0.05 0.00 -0.65 0.00 0.00 35.03 33.11 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 -0.91 -0.57 -2.07 -5.58 7.64 -1.24 -4.79 113.62 106.09 1xsx n SER 19 Ca 0.00 -1.82 -0.03 0.00 1.01 0.00 0.00 58.87 58.03 1xsx n SER 19 Cb 0.09 0.17 -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 0.06 -4.42 3.25 0.23 0.00 -0.73 -5.00 105.19 98.58 1xsx n GLY 20 Ca -0.18 0.69 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.45 1.00 1.61 0.01 0.38 -4.86 113.70 111.00 1xsx s SER 21 Ca -0.14 0.88 -0.15 0.00 1.31 0.00 0.00 55.95 57.85 1xsx s SER 21 Cb 0.01 0.82 0.03 0.00 0.21 0.00 0.00 66.02 67.10 1xsx s SER 21 CO 0.37 -0.20 0.16 -2.65 0.41 0.00 0.00 173.24 171.33 1xsx n PRO 22 N 4.43 -0.60 0.28 12.44 -0.02 -1.26 -2.31 135.00 147.97 1xsx n PRO 22 Ca -0.21 -0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.25 1xsx n PRO 22 Cb 0.54 -1.73 0.81 0.00 -0.02 0.00 0.00 33.50 33.10 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 -1.64 0.00 -0.46 -0.52 3.64 -1.96 -2.02 116.57 113.61 1xsx h LYS 23 Ca -0.46 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 58.81 1xsx h LYS 23 Cb 1.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1xsx h LYS 23 CO 0.34 0.03 -0.13 1.79 -2.27 0.00 0.00 179.45 179.21 1xsx h THR 24 N 0.00 1.27 0.00 1.00 1.35 -2.01 -2.39 112.91 112.12 1xsx h THR 24 Ca -0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1xsx h THR 24 Cb 0.07 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1xsx h THR 24 CO 0.00 0.43 0.00 -1.14 -0.25 0.00 0.00 175.52 174.57 1xsx n ARG 25 N -4.23 0.01 0.12 4.72 0.00 -0.76 -0.34 116.66 116.17 1xsx n ARG 25 Ca -0.00 0.41 0.12 0.00 -0.00 0.00 0.00 57.85 58.37 1xsx n ARG 25 Cb 0.40 -1.50 0.09 0.00 0.00 0.00 0.00 32.46 31.45 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 0.00 -0.62 5.15 2.04 -1.47 -3.30 117.51 119.32 1xsx h ILE 26 Ca 0.00 -0.85 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 1xsx h ILE 26 Cb 0.06 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1xsx h ILE 26 CO 0.00 0.00 0.13 -0.03 0.00 0.00 0.00 178.15 178.25 1xsx h MET 27 N 0.00 1.00 0.00 2.37 4.05 -0.75 0.44 114.93 122.04 1xsx h MET 27 Ca 0.00 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1xsx h MET 27 Cb 0.92 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1xsx h MET 27 CO 0.00 0.92 0.00 0.98 0.23 0.00 0.00 176.91 179.04 1xsx n TYR 28 N -4.31 0.00 0.49 1.39 9.36 -1.24 -0.56 117.16 122.29 1xsx n TYR 28 Ca 0.03 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.37 1xsx n TYR 28 Cb 0.26 -0.27 -0.02 0.00 -0.63 0.00 0.00 39.34 38.68 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 -0.52 -1.18 0.00 2.98 0.00 0.13 -5.02 105.19 101.58 1xsx n GLY 29 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.88 0.00 -1.41 4.61 0.00 0.28 -4.93 120.51 117.18 1xsx n ALA 30 Ca 0.01 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.93 1xsx n ALA 30 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 1.88 -4.62 0.00 4.13 -1.26 -4.34 115.26 111.05 1xsx n ASN 31 Ca 0.00 0.48 -0.43 0.00 1.68 0.00 0.00 54.58 56.31 1xsx n ASN 31 Cb 0.00 -1.19 -0.02 0.00 -1.54 0.00 0.00 39.78 37.03 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 6.95 3.81 0.00 3.41 1.98 -1.26 -4.81 118.68 128.76 1xsx s LEU 32 Ca 1.11 0.97 0.00 0.00 -2.89 0.00 0.00 54.13 53.32 1xsx s LEU 32 Cb -0.98 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 42.32 1xsx s LEU 32 CO 0.53 -1.09 0.50 -0.24 -1.89 0.00 0.00 176.35 174.16 1xsx n SER 33 N 7.58 0.09 -0.00 3.68 2.88 -1.26 -4.53 113.62 122.05 1xsx n SER 33 Ca 0.14 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 1xsx n SER 33 Cb 0.47 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1xsx n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xsx n TYR 34 N -0.38 0.01 -0.18 0.66 0.18 -1.26 0.43 117.16 116.61 1xsx n TYR 34 Ca 0.00 0.01 -0.01 0.00 1.88 0.00 0.00 57.90 59.78 1xsx n TYR 34 Cb 0.02 -0.51 0.09 0.00 -0.38 0.00 0.00 39.34 38.56 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 0.02 0.65 0.00 -3.48 0.00 -2.02 -2.80 119.26 111.62 1xsx h ALA 35 Ca 0.01 0.11 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 1xsx h ALA 35 Cb 0.02 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1xsx h ALA 35 CO -0.01 -0.28 -1.90 1.28 0.00 0.00 0.00 179.25 178.34 1xsx n LEU 36 N -5.09 1.93 -0.49 0.00 4.32 1.45 -4.50 117.00 114.63 1xsx n LEU 36 Ca 0.07 0.36 0.40 0.00 -0.02 0.00 0.00 56.01 56.83 1xsx n LEU 36 Cb 0.27 -0.82 0.67 0.00 -1.62 0.00 0.00 43.42 41.92 1xsx n LEU 36 CO 0.20 0.27 1.21 0.41 -1.22 0.00 0.00 177.39 178.25 1xsx n THR 37 N -4.35 -0.20 -0.02 -5.08 -1.04 0.17 0.19 114.28 103.95 1xsx n THR 37 Ca -0.39 1.68 0.23 0.00 -2.04 0.00 0.00 64.05 63.53 1xsx n THR 37 Cb 0.74 -2.76 0.63 0.00 -1.82 0.00 0.00 70.33 67.12 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 2.00 3.41 0.00 -1.70 2.65 103.07 109.43 1xsx h GLY 38 Ca 0.85 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 48.10 1xsx h GLY 38 CO -0.38 0.00 -0.41 -0.09 0.00 0.00 0.00 176.54 175.66 1xsx h ARG 39 N 0.00 0.00 0.05 4.80 2.43 0.19 -0.99 114.38 120.85 1xsx h ARG 39 Ca 0.31 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.24 1xsx h ARG 39 Cb 1.80 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.37 1xsx h ARG 39 CO -0.00 0.41 -0.95 1.88 -1.51 0.00 0.00 179.97 179.80 1xsx h TYR 40 N 0.00 0.87 0.52 2.20 -1.99 0.45 -1.86 116.97 117.16 1xsx h TYR 40 Ca -0.00 -0.51 -0.03 0.00 2.00 0.00 0.00 58.73 60.20 1xsx h TYR 40 Cb 0.78 -0.09 0.01 0.00 2.00 0.00 0.00 36.73 39.43 1xsx h TYR 40 CO 0.00 1.34 -0.25 0.82 -0.00 0.00 0.00 178.16 180.08 1xsx h ILE 41 N 0.15 0.43 -0.98 -2.88 2.04 -1.25 0.77 117.51 115.78 1xsx h ILE 41 Ca -0.13 -0.30 0.17 0.00 1.00 0.00 0.00 64.86 65.60 1xsx h ILE 41 Cb 1.64 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 38.17 1xsx h ILE 41 CO 0.18 0.04 0.61 0.50 0.00 0.00 0.00 178.15 179.49 1xsx h LYS 42 N -0.89 0.72 -0.10 2.37 1.63 -1.28 0.30 116.57 119.32 1xsx h LYS 42 Ca -0.07 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1xsx h LYS 42 Cb 0.60 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.07 1xsx h LYS 42 CO 0.12 0.48 0.04 1.98 -3.45 0.00 0.00 179.45 178.61 1xsx h MET 43 N 0.74 0.14 0.00 1.90 4.05 -0.97 0.54 114.93 121.33 1xsx h MET 43 Ca 0.53 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.91 1xsx h MET 43 Cb 0.84 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1xsx h MET 43 CO -0.30 0.26 -0.07 -0.07 0.23 0.00 0.00 176.91 176.96 1xsx h LEU 44 N -0.01 0.00 0.00 3.39 3.38 0.12 -0.45 115.31 121.74 1xsx h LEU 44 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1xsx h LEU 44 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xsx h LEU 44 CO -0.00 0.07 -0.20 0.24 0.09 0.00 0.00 178.44 178.64 1xsx h MET 45 N 0.00 0.00 -0.11 1.13 2.86 0.33 0.30 114.93 119.45 1xsx h MET 45 Ca -0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1xsx h MET 45 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1xsx h MET 45 CO 0.01 0.90 0.10 0.22 1.06 0.00 0.00 176.91 179.21 1xsx h ASP 46 N -1.00 0.00 0.06 1.22 3.58 0.27 0.11 116.42 120.66 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 0.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1xsx h ASP 46 CO -0.03 0.00 -0.29 0.18 -2.88 0.00 0.00 179.24 176.22 1xsx n LEU 47 N -4.00 1.80 -1.93 2.28 4.32 -0.20 -5.01 117.00 114.26 1xsx n LEU 47 Ca -0.00 -0.61 -0.03 0.00 -0.02 0.00 0.00 56.01 55.35 1xsx n LEU 47 Cb 0.21 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1xsx n LEU 47 CO 0.29 0.32 0.01 -0.62 -1.22 0.00 0.00 177.39 176.18 1xsx n GLU 48 N -0.01 -0.76 0.00 3.23 1.02 0.37 -5.01 120.64 119.49 1xsx n GLU 48 Ca 0.12 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1xsx n GLU 48 Cb 0.44 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.03 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 -0.43 0.00 -3.32 -3.67 -0.00 0.10 -4.31 119.36 107.72 1xsx n ILE 49 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.60 1xsx n ILE 49 Cb 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.78 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 3.31 -0.00 1.39 1.01 -1.10 -2.31 121.20 122.50 1xsx s ILE 50 Ca 0.00 -1.10 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 1xsx s ILE 50 Cb 0.00 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.33 1xsx s ILE 50 CO 0.00 -0.06 0.08 -0.60 0.00 0.00 0.00 174.94 174.36 1xsx s ARG 51 N -4.22 0.35 -0.41 2.79 6.06 1.04 -4.37 118.95 120.20 1xsx s ARG 51 Ca 0.49 -0.35 -0.16 0.00 -2.50 0.00 0.00 55.73 53.22 1xsx s ARG 51 Cb -0.08 0.14 0.02 0.00 0.06 0.00 0.00 34.95 35.09 1xsx s ARG 51 CO 0.31 -0.07 0.37 -0.65 -2.50 0.00 0.00 175.30 172.75 1xsx s GLN 52 N -1.10 3.11 -0.34 5.12 -1.52 -1.26 0.26 119.66 123.93 1xsx s GLN 52 Ca -0.12 -0.82 0.01 0.00 -1.95 0.00 0.00 55.36 52.48 1xsx s GLN 52 Cb -0.07 -3.95 0.09 0.00 -0.22 0.00 0.00 33.01 28.86 1xsx s GLN 52 CO 0.00 -0.76 0.05 -2.00 -0.25 0.00 0.00 175.29 172.33 1xsx s GLU 53 N 1.93 1.85 -1.63 2.91 -6.30 0.37 -4.65 118.70 113.17 1xsx s GLU 53 Ca 0.09 -1.70 -0.00 0.00 -2.50 0.00 0.00 54.97 50.86 1xsx s GLU 53 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 34.13 30.72 1xsx s GLU 53 CO 0.12 -0.87 0.04 0.41 0.02 0.00 0.00 175.26 174.99 1xsx n GLY 54 N 4.41 -0.43 2.06 -1.50 0.00 -1.26 -0.96 105.19 107.51 1xsx n GLY 54 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.92 0.00 -3.23 1.61 4.81 -1.26 -5.03 118.16 112.14 1xsx n LYS 55 Ca -0.22 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.03 1xsx n LYS 55 Cb 0.67 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 34.13 1xsx n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1xsx s GLN 56 N -0.31 3.01 -0.23 1.64 -0.21 -0.14 -4.84 119.66 118.58 1xsx s GLN 56 Ca 0.00 -0.94 -0.10 0.00 0.02 0.00 0.00 55.36 54.34 1xsx s GLN 56 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1xsx s GLN 56 CO 0.00 -0.12 0.13 0.71 -2.12 0.00 0.00 175.29 173.89 1xsx s TYR 57 N -2.33 3.30 0.41 0.91 1.51 -0.98 -0.48 117.35 119.70 1xsx s TYR 57 Ca 0.48 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.76 1xsx s TYR 57 Cb -0.10 -2.22 -0.06 0.00 -0.11 0.00 0.00 41.96 39.47 1xsx s TYR 57 CO 0.33 0.07 0.02 1.41 -1.11 0.00 0.00 175.55 176.27 1xsx s MET 58 N 0.92 1.95 -0.13 -0.62 1.75 0.72 -0.47 119.30 123.42 1xsx s MET 58 Ca 0.07 -2.13 -0.10 0.00 -1.25 0.00 0.00 55.69 52.28 1xsx s MET 58 Cb -0.13 -1.43 -0.05 0.00 2.84 0.00 0.00 34.83 36.06 1xsx s MET 58 CO 0.03 -0.15 0.19 -0.48 -0.65 0.00 0.00 175.02 173.96 1xsx s LEU 59 N -3.70 4.34 0.39 4.11 2.34 -0.17 0.34 118.68 126.33 1xsx s LEU 59 Ca 0.29 0.48 0.05 0.00 0.06 0.00 0.00 54.13 55.01 1xsx s LEU 59 Cb 0.08 -2.18 -0.00 0.00 -0.56 0.00 0.00 46.19 43.53 1xsx s LEU 59 CO 0.15 0.31 0.55 0.28 -1.06 0.00 0.00 176.35 176.57 1xsx s THR 60 N -0.51 3.78 0.28 5.48 -1.32 -0.98 -4.75 115.64 117.63 1xsx s THR 60 Ca 0.15 -0.86 -0.04 0.00 -1.21 0.00 0.00 61.69 59.72 1xsx s THR 60 Cb -0.12 -3.33 0.40 0.00 -1.51 0.00 0.00 72.50 67.94 1xsx s THR 60 CO 0.04 -0.16 1.58 0.07 -2.21 0.00 0.00 174.62 173.94 1xsx h LYS 61 N 0.68 0.02 -0.08 7.08 -0.00 -1.95 2.12 116.57 124.44 1xsx h LYS 61 Ca -0.45 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.17 1xsx h LYS 61 Cb 1.26 -0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.48 1xsx h LYS 61 CO 0.52 0.01 -0.08 0.87 -0.00 0.00 0.00 179.45 180.78 1xsx h LYS 62 N 0.02 0.11 -0.08 0.07 6.56 -1.90 -2.28 116.57 119.08 1xsx h LYS 62 Ca 0.51 -0.02 -0.20 0.00 -1.06 0.00 0.00 60.65 59.88 1xsx h LYS 62 Cb 0.92 -0.02 0.01 0.00 -0.57 0.00 0.00 32.23 32.58 1xsx h LYS 62 CO -0.92 0.20 -0.74 0.78 -2.06 0.00 0.00 179.45 176.72 1xsx h GLY 63 N 0.46 0.71 0.78 3.86 0.00 0.33 -1.89 103.07 107.31 1xsx h GLY 63 Ca 0.03 -1.09 -0.02 0.00 0.00 0.00 0.00 47.33 46.25 1xsx h GLY 63 CO 0.01 0.97 0.00 0.83 0.00 0.00 0.00 176.54 178.35 1xsx h GLU 64 N 0.28 0.22 -0.71 4.80 5.08 -0.95 0.04 114.58 123.35 1xsx h GLU 64 Ca -0.07 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1xsx h GLU 64 Cb 1.39 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1xsx h GLU 64 CO 0.15 0.46 0.47 0.93 -1.00 0.00 0.00 179.01 180.01 1xsx h GLU 65 N -0.04 0.84 -0.40 2.33 5.08 -1.49 -0.89 114.58 120.01 1xsx h GLU 65 Ca 0.04 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1xsx h GLU 65 Cb 0.35 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1xsx h GLU 65 CO 0.01 0.56 -0.29 1.25 -1.00 0.00 0.00 179.01 179.54 1xsx h LEU 66 N 0.87 0.90 -0.92 1.33 5.85 -1.00 -1.76 115.31 120.59 1xsx h LEU 66 Ca 0.28 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1xsx h LEU 66 Cb 0.04 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 1xsx h LEU 66 CO -0.08 1.12 0.58 0.25 -0.34 0.00 0.00 178.44 179.98 1xsx h LEU 67 N 0.74 0.91 -0.11 2.25 5.85 0.40 0.18 115.31 125.54 1xsx h LEU 67 Ca 0.08 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1xsx h LEU 67 Cb 0.84 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xsx h LEU 67 CO 0.07 0.58 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.54 1xsx h GLU 68 N 1.05 0.28 -0.57 1.25 4.81 -1.17 -2.17 114.58 118.05 1xsx h GLU 68 Ca 0.40 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.55 1xsx h GLU 68 Cb 0.19 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1xsx h GLU 68 CO -0.18 0.71 0.25 -0.44 -0.73 0.00 0.00 179.01 178.62 1xsx h ASP 69 N -0.13 0.31 -0.98 1.04 3.32 -0.72 -0.42 116.42 118.85 1xsx h ASP 69 Ca 0.02 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xsx h ASP 69 Cb 0.66 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.16 1xsx h ASP 69 CO 0.03 0.20 0.64 0.40 -1.72 0.00 0.00 179.24 178.79 1xsx h ILE 70 N 0.47 1.16 0.48 0.35 2.04 -0.57 -2.51 117.51 118.91 1xsx h ILE 70 Ca 0.27 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1xsx h ILE 70 Cb 0.26 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1xsx h ILE 70 CO -0.23 0.22 -0.26 -0.09 0.00 0.00 0.00 178.15 177.79 1xsx h ARG 71 N 1.22 -0.65 -0.21 2.37 2.43 -0.43 -2.43 114.38 116.68 1xsx h ARG 71 Ca 0.39 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.63 1xsx h ARG 71 Cb 0.03 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1xsx h ARG 71 CO -0.13 -0.43 -0.24 0.87 -1.51 0.00 0.00 179.97 178.52 1xsx h LYS 72 N -0.68 -0.14 -0.79 0.20 1.57 -1.25 0.74 116.57 116.22 1xsx h LYS 72 Ca -0.06 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1xsx h LYS 72 Cb 0.53 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 1xsx h LYS 72 CO 0.09 -0.09 -0.45 0.35 -0.57 0.00 0.00 179.45 178.78 1xsx h PHE 73 N -0.15 -1.33 -0.30 -1.35 3.57 -1.52 1.58 116.94 117.45 1xsx h PHE 73 Ca 0.04 0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1xsx h PHE 73 Cb 0.24 0.69 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 1xsx h PHE 73 CO -0.70 -0.41 0.11 -0.97 -2.23 0.00 0.00 178.31 174.11 1xsx h ASN 74 N -0.11 0.38 0.64 0.41 -0.73 -0.86 2.66 115.58 117.97 1xsx h ASN 74 Ca 0.23 -0.04 -0.14 0.00 1.87 0.00 0.00 56.30 58.22 1xsx h ASN 74 Cb 0.54 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 1xsx h ASN 74 CO -0.83 0.36 -0.67 -0.08 -0.37 0.00 0.00 177.43 175.84 1xsx h GLU 75 N 0.42 0.02 0.01 6.67 4.81 0.81 -3.00 114.58 124.33 1xsx h GLU 75 Ca 0.11 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.97 1xsx h GLU 75 Cb 0.11 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1xsx h GLU 75 CO -0.01 0.68 -2.16 -1.33 -0.73 0.00 0.00 179.01 175.46 1xsx n MET 76 N -3.75 0.67 -0.11 1.92 2.81 0.44 -3.93 117.12 115.16 1xsx n MET 76 Ca -0.01 0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 55.92 1xsx n MET 76 Cb 0.66 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.00 0.43 0.00 0.03 1.12 0.46 0.58 114.38 117.01 1xsx h ARG 77 Ca -0.46 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.33 1xsx h ARG 77 Cb 2.13 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.98 1xsx h ARG 77 CO 0.04 0.29 -0.27 1.57 -3.11 0.00 0.00 179.97 178.49 1xsx h LYS 78 N 0.45 0.00 0.53 0.20 2.10 -1.72 -2.14 116.57 115.98 1xsx h LYS 78 Ca 0.15 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.77 1xsx h LYS 78 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1xsx h LYS 78 CO -0.07 0.27 -0.26 -0.97 -2.00 0.00 0.00 179.45 176.42 1xsx h ASN 79 N 0.00 -0.61 -0.34 7.07 -0.73 -1.28 0.35 115.58 120.05 1xsx h ASN 79 Ca -0.00 -0.05 0.07 0.00 1.87 0.00 0.00 56.30 58.19 1xsx h ASN 79 Cb 0.67 0.16 -0.08 0.00 0.27 0.00 0.00 38.32 39.34 1xsx h ASN 79 CO 0.03 -0.24 -0.21 -0.03 -0.37 0.00 0.00 177.43 176.61 1xsx h MET 80 N -1.03 -0.16 -0.77 6.67 4.05 -0.81 0.88 114.93 123.76 1xsx h MET 80 Ca -0.07 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1xsx h MET 80 Cb 0.62 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.41 1xsx h MET 80 CO 0.12 -0.11 0.48 0.22 0.23 0.00 0.00 176.91 177.85 1xsx h ASP 81 N -0.17 0.78 -0.26 1.39 1.82 -1.33 2.55 116.42 121.20 1xsx h ASP 81 Ca 0.17 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 1xsx h ASP 81 Cb 0.43 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 1xsx h ASP 81 CO -0.44 0.52 0.17 1.56 -1.61 0.00 0.00 179.24 179.44 1xsx h GLN 82 N 0.92 0.35 -0.35 0.28 1.08 0.19 0.71 115.11 118.28 1xsx h GLN 82 Ca 0.32 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1xsx h GLN 82 Cb 0.07 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 1xsx h GLN 82 CO -0.14 0.25 0.11 -0.07 -0.95 0.00 0.00 178.83 178.03 1xsx h LEU 83 N 0.34 0.52 -0.62 1.46 3.38 0.18 -2.04 115.31 118.53 1xsx h LEU 83 Ca 0.09 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1xsx h LEU 83 Cb -0.02 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 1xsx h LEU 83 CO -0.02 0.58 0.06 0.50 0.09 0.00 0.00 178.44 179.66 1xsx h LYS 84 N 0.42 0.17 -0.51 1.13 3.64 0.51 0.31 116.57 122.24 1xsx h LYS 84 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1xsx h LYS 84 Cb 0.25 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1xsx h LYS 84 CO -0.00 0.11 0.25 1.49 -2.27 0.00 0.00 179.45 179.03 1xsx h GLU 85 N 0.18 0.70 -0.66 1.90 4.81 -0.43 -1.25 114.58 119.83 1xsx h GLU 85 Ca 0.33 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 1xsx h GLU 85 Cb 0.52 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1xsx h GLU 85 CO -0.48 0.54 0.10 0.87 -0.73 0.00 0.00 179.01 179.31 1xsx h LYS 86 N 0.71 1.10 0.22 1.92 1.79 0.21 -1.07 116.57 121.44 1xsx h LYS 86 Ca 0.18 -0.30 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1xsx h LYS 86 Cb 0.06 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1xsx h LYS 86 CO -0.03 1.01 -0.10 0.82 -1.08 0.00 0.00 179.45 180.07 1xsx h ILE 87 N 1.03 0.83 -0.32 1.86 2.04 0.05 -2.29 117.51 120.72 1xsx h ILE 87 Ca 0.20 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1xsx h ILE 87 Cb 0.45 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1xsx h ILE 87 CO 0.01 0.06 0.22 -0.55 0.00 0.00 0.00 178.15 177.89 1xsx h ASN 88 N -0.41 0.29 -0.14 1.72 7.08 -1.12 0.07 115.58 123.07 1xsx h ASN 88 Ca -0.03 -0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.15 1xsx h ASN 88 Cb 0.31 -0.07 -0.00 0.00 -2.08 0.00 0.00 38.32 36.48 1xsx h ASN 88 CO 0.05 0.21 -0.04 0.77 -2.08 0.00 0.00 177.43 176.34 1xsx h SER 89 N 0.34 0.27 0.14 6.14 4.64 -0.75 0.48 113.55 124.81 1xsx h SER 89 Ca 0.13 -0.37 -0.19 0.00 -0.47 0.00 0.00 61.79 60.89 1xsx h SER 89 Cb 0.10 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1xsx h SER 89 CO -0.03 0.58 -0.82 0.58 -0.87 0.00 0.00 176.83 176.28 1xsx h VAL 90 N -0.04 1.51 0.00 0.95 2.07 -1.16 -3.24 116.25 116.35 1xsx h VAL 90 Ca 0.04 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 65.03 1xsx h VAL 90 Cb 0.46 3.18 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1xsx h VAL 90 CO 0.01 0.72 0.00 -0.11 0.02 0.00 0.00 177.57 178.21 1xsx n LEU 91 N -4.12 0.67 0.00 2.57 7.94 -0.01 -4.84 117.00 119.21 1xsx n LEU 91 Ca -0.14 0.58 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1xsx n LEU 91 Cb 0.82 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1xsx n LEU 91 CO 0.49 -0.23 0.00 -1.20 -1.11 0.00 0.00 177.39 175.34 1xsx n SER 92 N -2.15 0.00 0.00 1.96 7.64 0.17 -4.47 113.62 116.77 1xsx n SER 92 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1xsx n SER 92 Cb 0.38 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -0.35 0.00 -0.85 0.44 5.41 -1.26 -1.85 119.36 120.90 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 0.54 0.00 0.00 0.00 176.55 177.09 1xsx n ARG 94 N 0.00 0.00 0.00 0.38 3.00 -1.26 -5.21 116.66 113.57 1xsx n ARG 94 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1xsx n ARG 94 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.07 1xsx n ARG 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63