#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 -5.60 0.00 0.00 5.02 -1.26 -4.67 118.16 111.64 1xsx n LYS 2 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1xsx n LYS 2 Cb 0.00 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 1xsx n LYS 2 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1xsx n LYS 3 N -4.27 0.00 -2.14 1.97 2.85 -1.26 -5.00 118.16 110.32 1xsx n LYS 3 Ca -0.27 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 56.97 1xsx n LYS 3 Cb 0.67 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 35.04 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 -0.21 0.07 -3.38 -1.58 5.02 -1.26 -1.84 118.16 114.97 1xsx n LYS 4 Ca 0.00 -0.40 -0.20 0.00 -2.02 0.00 0.00 58.31 55.69 1xsx n LYS 4 Cb 0.00 0.34 -0.03 0.00 -0.02 0.00 0.00 35.03 35.33 1xsx n LYS 4 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xsx n SER 5 N -2.56 -1.90 0.00 4.39 2.88 -1.26 -3.29 113.62 111.88 1xsx n SER 5 Ca 0.01 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1xsx n SER 5 Cb 0.08 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 61.86 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 -3.29 0.00 -0.04 -1.46 4.81 -1.26 -4.90 118.16 112.02 1xsx n LYS 6 Ca 0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.44 1xsx n LYS 6 Cb 0.49 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.53 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 0.00 0.89 0.02 3.14 4.77 -1.21 -4.44 117.00 120.17 1xsx n LEU 7 Ca 0.00 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 1xsx n LEU 7 Cb 0.00 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.45 1xsx n LEU 7 CO 0.00 -0.43 0.10 -0.08 -1.33 0.00 0.00 177.39 175.65 1xsx h GLU 8 N -0.47 -0.09 -0.58 3.23 4.81 -1.62 -2.54 114.58 117.33 1xsx h GLU 8 Ca 0.00 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1xsx h GLU 8 Cb 0.38 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1xsx h GLU 8 CO 0.00 -0.06 0.04 -0.89 -0.73 0.00 0.00 179.01 177.37 1xsx n ILE 9 N -2.97 -0.24 0.44 2.32 -0.00 -1.26 0.27 119.36 117.92 1xsx n ILE 9 Ca -0.01 1.28 -0.19 0.00 -0.00 0.00 0.00 62.75 63.82 1xsx n ILE 9 Cb 0.03 -1.88 -0.09 0.00 -0.00 0.00 0.00 39.64 37.70 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 0.18 -1.03 1.39 2.04 -1.78 -1.88 117.51 116.42 1xsx h ILE 10 Ca 0.37 -0.02 0.29 0.00 1.00 0.00 0.00 64.86 66.50 1xsx h ILE 10 Cb 0.78 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 36.91 1xsx h ILE 10 CO -0.54 0.00 0.62 -0.61 0.00 0.00 0.00 178.15 177.62 1xsx h GLN 11 N -1.13 0.41 -0.20 2.37 4.15 0.42 1.39 115.11 122.52 1xsx h GLN 11 Ca -0.11 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 1xsx h GLN 11 Cb 0.85 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1xsx h GLN 11 CO 0.19 0.27 -0.12 0.00 -1.93 0.00 0.00 178.83 177.23 1xsx h ALA 12 N 1.75 1.41 -0.17 3.38 0.00 -0.45 -0.82 119.26 124.35 1xsx h ALA 12 Ca 0.68 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 55.22 1xsx h ALA 12 Cb 1.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1xsx h ALA 12 CO -0.49 0.41 -0.52 0.82 0.00 0.00 0.00 179.25 179.47 1xsx h ILE 13 N 0.31 1.33 -0.20 0.00 2.04 0.26 -1.49 117.51 119.76 1xsx h ILE 13 Ca 0.06 -1.77 -0.11 0.00 1.00 0.00 0.00 64.86 64.04 1xsx h ILE 13 Cb 0.42 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1xsx h ILE 13 CO 0.02 0.54 -0.31 0.25 0.00 0.00 0.00 178.15 178.66 1xsx h LEU 14 N 0.36 0.62 -1.14 1.44 6.46 -0.58 -2.27 115.31 120.20 1xsx h LEU 14 Ca 0.01 -0.52 -0.09 0.00 -0.12 0.00 0.00 57.88 57.16 1xsx h LEU 14 Cb 1.04 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.78 1xsx h LEU 14 CO 0.09 1.02 -0.41 -0.08 -0.62 0.00 0.00 178.44 178.44 1xsx h GLU 15 N 0.23 0.03 -0.21 1.25 4.81 -1.13 -1.02 114.58 118.54 1xsx h GLU 15 Ca 0.02 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1xsx h GLU 15 Cb 0.89 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1xsx h GLU 15 CO 0.07 0.44 -0.59 0.00 -0.73 0.00 0.00 179.01 178.20 1xsx h ALA 16 N 1.56 0.56 0.00 2.92 0.00 -1.20 -2.89 119.26 120.21 1xsx h ALA 16 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1xsx h ALA 16 Cb 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1xsx h ALA 16 CO 0.06 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.00 1xsx n LYS 18 N -2.46 0.00 -1.10 0.00 0.00 -0.42 -1.57 118.16 112.61 1xsx n LYS 18 Ca 0.05 0.05 -0.05 0.00 0.00 0.00 0.00 58.31 58.36 1xsx n LYS 18 Cb 0.41 -1.55 -0.05 0.00 0.00 0.00 0.00 35.03 33.84 1xsx n LYS 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1xsx n SER 19 N -0.86 -0.58 -2.07 3.14 3.41 -1.24 -4.81 113.62 110.60 1xsx n SER 19 Ca 0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.59 1xsx n SER 19 Cb 0.05 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xsx n GLY 20 N 0.10 -4.75 3.36 5.00 0.00 -0.65 -5.00 105.19 103.26 1xsx n GLY 20 Ca -0.21 0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.43 -0.60 0.98 1.61 0.01 0.49 -4.83 113.70 110.93 1xsx s SER 21 Ca -0.09 1.07 -0.15 0.00 1.31 0.00 0.00 55.95 58.08 1xsx s SER 21 Cb 0.01 1.04 -0.03 0.00 0.21 0.00 0.00 66.02 67.25 1xsx s SER 21 CO 0.25 -0.21 -0.09 -2.65 0.41 0.00 0.00 173.24 170.95 1xsx n PRO 22 N 4.47 -0.29 0.26 12.44 -0.02 -1.26 -2.12 135.00 148.48 1xsx n PRO 22 Ca -0.20 -0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.31 1xsx n PRO 22 Cb 0.55 -1.54 0.70 0.00 -0.02 0.00 0.00 33.50 33.19 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 -1.40 0.00 -0.38 -0.52 3.11 -1.96 -2.19 116.57 113.22 1xsx h LYS 23 Ca -0.44 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.30 1xsx h LYS 23 Cb 1.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1xsx h LYS 23 CO 0.30 0.04 -0.13 1.79 -2.81 0.00 0.00 179.45 178.64 1xsx h THR 24 N 0.00 1.28 0.00 1.00 1.35 -1.97 -2.53 112.91 112.04 1xsx h THR 24 Ca -0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1xsx h THR 24 Cb 0.07 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1xsx h THR 24 CO 0.00 0.41 0.00 0.54 -0.25 0.00 0.00 175.52 176.22 1xsx n ARG 25 N -4.33 0.01 0.05 4.72 5.12 -0.82 0.01 116.66 121.42 1xsx n ARG 25 Ca -0.02 0.27 0.12 0.00 -1.93 0.00 0.00 57.85 56.29 1xsx n ARG 25 Cb 0.38 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.38 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 -1.28 0.30 -0.17 0.55 5.41 -0.95 -3.64 119.36 119.58 1xsx n ILE 26 Ca 0.00 -0.22 -0.11 0.00 1.00 0.00 0.00 62.75 63.42 1xsx n ILE 26 Cb 0.01 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 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 0.98 0.00 0.38 4.05 -0.54 -1.01 114.93 118.79 1xsx h MET 27 Ca 0.00 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1xsx h MET 27 Cb 0.70 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1xsx h MET 27 CO 0.00 1.07 0.30 0.98 0.23 0.00 0.00 176.91 179.48 1xsx n TYR 28 N -4.16 0.17 -0.07 1.39 9.36 -1.24 0.22 117.16 122.83 1xsx n TYR 28 Ca 0.00 0.09 -0.10 0.00 3.32 0.00 0.00 57.90 61.21 1xsx n TYR 28 Cb 0.43 -0.40 -0.15 0.00 -0.63 0.00 0.00 39.34 38.59 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 -1.26 -0.95 2.98 2.98 0.00 -0.40 -5.04 105.19 103.50 1xsx n GLY 29 Ca -0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.72 -1.71 0.83 4.61 0.00 0.61 -4.99 120.51 117.13 1xsx n ALA 30 Ca -0.28 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1xsx n ALA 30 Cb 1.11 0.64 0.00 0.00 0.00 0.00 0.00 19.45 21.20 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 -1.30 2.36 -2.21 0.00 2.85 -1.26 -4.25 115.26 111.45 1xsx n ASN 31 Ca -0.05 -1.65 0.00 0.00 -0.11 0.00 0.00 54.58 52.77 1xsx n ASN 31 Cb 0.46 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1xsx n LEU 32 N 0.55 -3.09 -0.13 1.20 -0.00 -1.26 -4.57 117.00 109.70 1xsx n LEU 32 Ca 0.00 0.58 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1xsx n LEU 32 Cb 0.40 -1.08 0.00 0.00 -0.00 0.00 0.00 43.42 42.73 1xsx n LEU 32 CO 0.00 -1.74 0.04 -0.24 -0.00 0.00 0.00 177.39 175.45 1xsx n SER 33 N 1.91 0.03 0.00 1.96 2.88 -1.26 -4.44 113.62 114.69 1xsx n SER 33 Ca 0.00 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1xsx n SER 33 Cb 0.08 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.25 0.00 -0.14 0.66 0.18 -1.26 0.40 117.16 116.75 1xsx n TYR 34 Ca 0.00 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.74 1xsx n TYR 34 Cb 0.01 -0.49 0.05 0.00 -0.38 0.00 0.00 39.34 38.53 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 0.00 0.51 0.00 -3.48 0.00 -1.96 -3.17 119.26 111.16 1xsx h ALA 35 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 54.91 54.56 1xsx h ALA 35 Cb 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1xsx h ALA 35 CO 0.00 -0.29 -2.47 -0.11 0.00 0.00 0.00 179.25 176.38 1xsx n LEU 36 N -5.08 2.25 -0.32 0.00 0.00 1.32 -4.58 117.00 110.59 1xsx n LEU 36 Ca 0.04 0.21 0.16 0.00 0.00 0.00 0.00 56.01 56.41 1xsx n LEU 36 Cb 0.20 -0.86 0.30 0.00 0.00 0.00 0.00 43.42 43.07 1xsx n LEU 36 CO 0.23 0.67 0.77 0.41 0.00 0.00 0.00 177.39 179.47 1xsx n THR 37 N -3.97 -0.39 -0.33 1.96 -1.04 0.29 0.16 114.28 110.96 1xsx n THR 37 Ca -0.51 2.03 0.35 0.00 -2.04 0.00 0.00 64.05 63.88 1xsx n THR 37 Cb 0.91 -3.01 0.60 0.00 -1.82 0.00 0.00 70.33 67.01 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 1.77 3.41 0.00 -1.76 2.98 103.07 109.46 1xsx h GLY 38 Ca 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.78 1xsx h GLY 38 CO -0.86 0.00 -0.59 -0.09 0.00 0.00 0.00 176.54 175.00 1xsx h ARG 39 N 0.00 0.24 0.20 4.80 2.43 0.13 -2.48 114.38 119.70 1xsx h ARG 39 Ca 0.59 -0.16 -0.31 0.00 -0.81 0.00 0.00 59.98 59.29 1xsx h ARG 39 Cb 2.95 0.02 0.03 0.00 -0.42 0.00 0.00 29.97 32.55 1xsx h ARG 39 CO -0.01 0.76 -1.37 1.88 -1.51 0.00 0.00 179.97 179.72 1xsx h TYR 40 N 0.18 0.80 0.29 2.20 0.05 0.53 -2.25 116.97 118.76 1xsx h TYR 40 Ca -0.00 -0.58 -0.01 0.00 0.05 0.00 0.00 58.73 58.19 1xsx h TYR 40 Cb 1.09 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1xsx h TYR 40 CO 0.02 1.45 -0.14 0.82 -1.05 0.00 0.00 178.16 179.26 1xsx h ILE 41 N 0.13 0.75 0.17 -2.88 2.04 -1.39 -0.79 117.51 115.53 1xsx h ILE 41 Ca -0.20 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1xsx h ILE 41 Cb 2.08 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1xsx h ILE 41 CO 0.25 0.06 -0.16 0.50 0.00 0.00 0.00 178.15 178.79 1xsx h LYS 42 N -0.53 -0.34 -0.52 2.37 1.63 -1.55 0.61 116.57 118.24 1xsx h LYS 42 Ca -0.04 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.89 1xsx h LYS 42 Cb 0.39 0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 32.01 1xsx h LYS 42 CO 0.07 -0.23 -0.01 1.98 -3.45 0.00 0.00 179.45 177.80 1xsx h MET 43 N -0.35 0.10 -0.56 1.90 4.05 -1.34 2.26 114.93 120.98 1xsx h MET 43 Ca -0.00 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1xsx h MET 43 Cb 0.33 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.08 1xsx h MET 43 CO -0.03 0.07 0.14 -0.07 0.23 0.00 0.00 176.91 177.24 1xsx h LEU 44 N 0.10 0.81 -0.08 3.39 3.38 -0.77 0.30 115.31 122.44 1xsx h LEU 44 Ca 0.26 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1xsx h LEU 44 Cb 0.40 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xsx h LEU 44 CO -0.45 0.79 -0.24 -0.03 0.09 0.00 0.00 178.44 178.60 1xsx h MET 45 N 0.83 0.31 0.00 1.13 4.05 0.15 0.17 114.93 121.58 1xsx h MET 45 Ca 0.18 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1xsx h MET 45 Cb 0.30 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1xsx h MET 45 CO -0.00 0.84 -0.02 0.22 0.23 0.00 0.00 176.91 178.17 1xsx h ASP 46 N -0.16 0.00 0.06 1.39 1.82 0.40 -0.52 116.42 119.41 1xsx h ASP 46 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1xsx h ASP 46 Cb 0.86 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.87 1xsx h ASP 46 CO 0.05 0.02 -0.45 0.18 -1.61 0.00 0.00 179.24 177.43 1xsx n LEU 47 N -3.36 1.67 -1.33 2.28 4.32 0.10 -4.99 117.00 115.69 1xsx n LEU 47 Ca -0.02 -0.60 0.00 0.00 -0.02 0.00 0.00 56.01 55.37 1xsx n LEU 47 Cb 0.13 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1xsx n LEU 47 CO 0.24 0.32 0.00 1.21 -1.22 0.00 0.00 177.39 177.94 1xsx n GLU 48 N -0.31 0.00 0.00 3.23 4.07 -0.20 -5.01 120.64 122.42 1xsx n GLU 48 Ca 0.10 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.64 1xsx n GLU 48 Cb 0.43 -1.33 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 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 -0.87 0.00 -4.08 6.31 -0.00 0.51 -4.35 119.36 116.88 1xsx n ILE 49 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 62.75 62.42 1xsx n ILE 49 Cb 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.00 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 4.81 0.45 1.39 1.01 -1.14 -2.57 121.20 124.15 1xsx s ILE 50 Ca 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.36 1xsx s ILE 50 Cb 0.00 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1xsx s ILE 50 CO 0.00 0.36 0.54 -0.60 0.00 0.00 0.00 174.94 175.23 1xsx s ARG 51 N -1.73 2.61 -0.26 2.79 6.06 0.96 -4.55 118.95 124.83 1xsx s ARG 51 Ca 0.23 -1.45 -0.01 0.00 -2.50 0.00 0.00 55.73 52.00 1xsx s ARG 51 Cb -0.12 -2.58 0.14 0.00 0.06 0.00 0.00 34.95 32.45 1xsx s ARG 51 CO 0.14 -0.37 0.35 1.14 -2.50 0.00 0.00 175.30 174.06 1xsx s GLN 52 N -4.33 0.34 -0.17 5.12 -2.07 -1.26 -2.06 119.66 115.24 1xsx s GLN 52 Ca 0.53 0.22 0.01 0.00 -1.82 0.00 0.00 55.36 54.29 1xsx s GLN 52 Cb -0.07 -0.55 0.02 0.00 -1.09 0.00 0.00 33.01 31.33 1xsx s GLN 52 CO 0.32 -0.85 -0.16 -1.83 -1.32 0.00 0.00 175.29 171.44 1xsx s GLU 53 N 2.48 2.55 -1.29 9.60 -1.05 0.13 -4.75 118.70 126.36 1xsx s GLU 53 Ca 0.10 -0.69 -0.06 0.00 -0.15 0.00 0.00 54.97 54.17 1xsx s GLU 53 Cb -0.14 -2.32 0.04 0.00 -0.44 0.00 0.00 34.13 31.27 1xsx s GLU 53 CO -0.24 -0.24 0.37 0.41 0.95 0.00 0.00 175.26 176.51 1xsx n GLY 54 N 4.70 -0.50 1.40 -3.83 0.00 -1.26 -0.25 105.19 105.46 1xsx n GLY 54 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.53 0.00 -3.98 1.61 4.81 -1.26 -5.05 118.16 110.76 1xsx n LYS 55 Ca -0.08 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.08 1xsx n LYS 55 Cb 0.58 -1.00 -0.04 0.00 0.02 0.00 0.00 35.03 34.59 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 -0.53 3.26 -0.19 1.64 -0.21 0.65 -4.53 119.66 119.76 1xsx s GLN 56 Ca 0.00 -0.62 -0.07 0.00 0.02 0.00 0.00 55.36 54.68 1xsx s GLN 56 Cb 0.00 -2.89 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1xsx s GLN 56 CO 0.00 0.54 0.06 0.71 -2.12 0.00 0.00 175.29 174.48 1xsx s TYR 57 N -1.64 3.24 0.39 0.91 1.51 -0.90 0.18 117.35 121.05 1xsx s TYR 57 Ca 0.33 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.47 1xsx s TYR 57 Cb -0.11 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 1xsx s TYR 57 CO 0.26 0.12 0.06 1.41 -1.11 0.00 0.00 175.55 176.30 1xsx s MET 58 N 0.44 1.87 -0.09 -0.62 -2.45 -0.88 -0.38 119.30 117.20 1xsx s MET 58 Ca 0.03 -2.11 -0.11 0.00 -1.25 0.00 0.00 55.69 52.26 1xsx s MET 58 Cb -0.13 -1.00 -0.05 0.00 1.25 0.00 0.00 34.83 34.91 1xsx s MET 58 CO 0.01 -0.29 0.25 -0.48 1.05 0.00 0.00 175.02 175.55 1xsx s LEU 59 N -3.62 4.39 0.37 4.11 2.34 -0.61 0.32 118.68 125.99 1xsx s LEU 59 Ca 0.27 0.63 0.05 0.00 0.06 0.00 0.00 54.13 55.14 1xsx s LEU 59 Cb 0.06 -2.28 -0.00 0.00 -0.56 0.00 0.00 46.19 43.40 1xsx s LEU 59 CO 0.13 0.33 0.53 0.28 -1.06 0.00 0.00 176.35 176.56 1xsx s THR 60 N -0.80 3.90 0.32 5.48 -1.32 -1.06 -4.72 115.64 117.44 1xsx s THR 60 Ca 0.18 -0.90 0.09 0.00 -1.21 0.00 0.00 61.69 59.85 1xsx s THR 60 Cb -0.14 -3.37 0.34 0.00 -1.51 0.00 0.00 72.50 67.83 1xsx s THR 60 CO 0.07 -0.17 1.62 0.07 -2.21 0.00 0.00 174.62 174.00 1xsx h LYS 61 N 0.75 0.15 -0.75 7.08 -0.00 -1.94 1.08 116.57 122.93 1xsx h LYS 61 Ca -0.45 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.14 1xsx h LYS 61 Cb 1.26 -0.03 -0.03 0.00 -0.00 0.00 0.00 32.23 33.42 1xsx h LYS 61 CO 0.53 0.10 0.26 0.87 -0.00 0.00 0.00 179.45 181.21 1xsx h LYS 62 N 0.15 1.15 -0.38 0.07 6.56 -1.89 -2.15 116.57 120.08 1xsx h LYS 62 Ca 0.67 -0.23 -0.04 0.00 -1.06 0.00 0.00 60.65 59.99 1xsx h LYS 62 Cb 1.50 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.97 1xsx h LYS 62 CO -0.72 0.96 0.10 0.78 -2.06 0.00 0.00 179.45 178.50 1xsx h GLY 63 N 1.13 0.66 0.85 3.86 0.00 0.11 0.25 103.07 109.93 1xsx h GLY 63 Ca 0.25 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1xsx h GLY 63 CO -0.01 0.38 0.05 1.05 0.00 0.00 0.00 176.54 178.01 1xsx h GLU 64 N 0.48 0.33 -0.55 4.80 4.11 -1.24 0.14 114.58 122.65 1xsx h GLU 64 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1xsx h GLU 64 Cb 0.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1xsx h GLU 64 CO 0.00 0.46 0.35 0.93 0.07 0.00 0.00 179.01 180.82 1xsx h GLU 65 N 0.15 0.74 -0.11 1.06 5.08 -1.29 -2.27 114.58 117.93 1xsx h GLU 65 Ca 0.07 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1xsx h GLU 65 Cb 0.28 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xsx h GLU 65 CO 0.00 0.50 -0.56 1.25 -1.00 0.00 0.00 179.01 179.21 1xsx h LEU 66 N 0.76 0.69 -0.58 1.33 5.85 -0.56 -2.26 115.31 120.53 1xsx h LEU 66 Ca 0.20 -0.64 0.11 0.00 0.84 0.00 0.00 57.88 58.39 1xsx h LEU 66 Cb -0.06 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.69 1xsx h LEU 66 CO -0.04 1.21 0.11 0.25 -0.34 0.00 0.00 178.44 179.64 1xsx h LEU 67 N 0.20 -0.02 -0.37 2.25 5.85 -0.17 0.32 115.31 123.38 1xsx h LEU 67 Ca -0.04 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1xsx h LEU 67 Cb 1.20 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1xsx h LEU 67 CO 0.12 0.00 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.12 1xsx h GLU 68 N 0.24 0.67 -0.07 1.25 4.81 -1.45 -1.50 114.58 118.53 1xsx h GLU 68 Ca 0.30 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1xsx h GLU 68 Cb 0.45 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1xsx h GLU 68 CO -0.40 0.79 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.14 1xsx h ASP 69 N 0.48 -0.28 -0.95 1.04 3.32 -0.53 -1.39 116.42 118.12 1xsx h ASP 69 Ca 0.10 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.25 1xsx h ASP 69 Cb 0.50 0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 1xsx h ASP 69 CO 0.02 -0.13 0.62 0.40 -1.72 0.00 0.00 179.24 178.43 1xsx h ILE 70 N -0.12 1.14 0.34 0.35 2.04 -0.32 -1.97 117.51 118.98 1xsx h ILE 70 Ca 0.06 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1xsx h ILE 70 Cb 0.21 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1xsx h ILE 70 CO -0.15 0.22 -0.28 -0.09 0.00 0.00 0.00 178.15 177.85 1xsx h ARG 71 N 1.18 -0.58 -0.02 2.37 2.43 -0.34 -2.08 114.38 117.34 1xsx h ARG 71 Ca 0.39 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.61 1xsx h ARG 71 Cb 0.03 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1xsx h ARG 71 CO -0.13 -0.39 -0.43 0.87 -1.51 0.00 0.00 179.97 178.38 1xsx h LYS 72 N -0.60 -0.51 -0.92 0.20 1.57 -1.13 0.28 116.57 115.45 1xsx h LYS 72 Ca -0.04 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1xsx h LYS 72 Cb 0.51 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 32.80 1xsx h LYS 72 CO 0.00 -0.34 -0.52 0.35 -0.57 0.00 0.00 179.45 178.37 1xsx h PHE 73 N -0.53 -1.61 -0.32 -1.35 3.57 -1.36 1.88 116.94 117.22 1xsx h PHE 73 Ca 0.01 0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1xsx h PHE 73 Cb 0.58 0.83 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 1xsx h PHE 73 CO -0.50 -0.39 0.13 -0.97 -2.23 0.00 0.00 178.31 174.34 1xsx h ASN 74 N -0.05 0.40 0.83 0.41 -1.24 -0.99 2.80 115.58 117.73 1xsx h ASN 74 Ca 0.21 -0.03 -0.13 0.00 0.71 0.00 0.00 56.30 57.06 1xsx h ASN 74 Cb 0.49 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 1xsx h ASN 74 CO -0.91 0.37 -0.61 -0.08 -1.29 0.00 0.00 177.43 174.92 1xsx h GLU 75 N 0.45 0.00 0.02 6.67 4.81 0.53 -2.35 114.58 124.72 1xsx h GLU 75 Ca 0.11 0.00 -0.37 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 29.42 1xsx h GLU 75 CO -0.01 0.61 -2.25 -1.33 -0.73 0.00 0.00 179.01 175.29 1xsx n MET 76 N -3.59 0.68 -0.11 1.92 2.81 0.53 -3.53 117.12 115.82 1xsx n MET 76 Ca -0.00 0.15 -0.08 0.00 -1.81 0.00 0.00 57.70 55.95 1xsx n MET 76 Cb 0.65 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 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 0.44 -0.49 0.03 1.12 0.49 1.06 114.38 117.04 1xsx h ARG 77 Ca -0.50 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.27 1xsx h ARG 77 Cb 2.04 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 31.88 1xsx h ARG 77 CO 0.00 0.29 0.02 -0.22 -3.11 0.00 0.00 179.97 176.95 1xsx h LYS 78 N 0.45 0.80 -0.15 0.20 3.64 -1.59 0.19 116.57 120.11 1xsx h LYS 78 Ca 0.14 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1xsx h LYS 78 Cb -0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1xsx h LYS 78 CO -0.06 0.80 0.03 -0.97 -2.27 0.00 0.00 179.45 176.98 1xsx h ASN 79 N 0.75 0.24 0.03 4.20 -0.00 -1.30 0.39 115.58 119.89 1xsx h ASN 79 Ca 0.15 -0.25 0.03 0.00 -0.00 0.00 0.00 56.30 56.23 1xsx h ASN 79 Cb 0.43 -0.06 -0.05 0.00 -0.00 0.00 0.00 38.32 38.64 1xsx h ASN 79 CO 0.02 0.42 -0.34 -0.03 -0.00 0.00 0.00 177.43 177.50 1xsx h MET 80 N 0.04 -0.49 -0.88 6.67 1.85 0.17 0.95 114.93 123.24 1xsx h MET 80 Ca 0.05 0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.21 1xsx h MET 80 Cb 0.28 0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.37 1xsx h MET 80 CO 0.00 -0.33 0.56 0.22 -0.40 0.00 0.00 176.91 176.97 1xsx h ASP 81 N -0.51 0.92 -0.31 1.39 1.82 -0.79 1.91 116.42 120.85 1xsx h ASP 81 Ca 0.05 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1xsx h ASP 81 Cb 0.58 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.38 1xsx h ASP 81 CO -0.26 0.62 0.18 1.56 -1.61 0.00 0.00 179.24 179.74 1xsx h GLN 82 N 1.07 0.43 -0.44 0.28 1.08 1.00 0.28 115.11 118.80 1xsx h GLN 82 Ca 0.36 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.47 1xsx h GLN 82 Cb 0.05 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1xsx h GLN 82 CO -0.13 0.34 0.08 -0.07 -0.95 0.00 0.00 178.83 178.09 1xsx h LEU 83 N 0.39 0.69 -0.45 1.46 3.38 0.20 -1.90 115.31 119.08 1xsx h LEU 83 Ca 0.11 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1xsx h LEU 83 Cb 0.03 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1xsx h LEU 83 CO -0.02 0.77 -0.04 0.50 0.09 0.00 0.00 178.44 179.74 1xsx h LYS 84 N 0.58 0.07 -0.27 1.13 3.64 0.37 0.52 116.57 122.61 1xsx h LYS 84 Ca 0.13 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1xsx h LYS 84 Cb 0.36 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1xsx h LYS 84 CO 0.01 0.05 -0.04 1.49 -2.27 0.00 0.00 179.45 178.68 1xsx h GLU 85 N 0.07 0.42 -0.40 1.90 4.81 -0.69 -1.66 114.58 119.03 1xsx h GLU 85 Ca 0.22 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1xsx h GLU 85 Cb 0.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xsx h GLU 85 CO -0.41 0.48 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.11 1xsx h LYS 86 N 0.41 0.66 0.04 1.92 3.64 -0.15 -1.04 116.57 122.04 1xsx h LYS 86 Ca 0.09 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xsx h LYS 86 Cb 0.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xsx h LYS 86 CO 0.01 0.69 -0.02 0.82 -2.27 0.00 0.00 179.45 178.69 1xsx h ILE 87 N 0.62 1.22 -0.03 2.00 2.04 -0.22 -2.45 117.51 120.69 1xsx h ILE 87 Ca 0.12 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1xsx h ILE 87 Cb 0.43 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1xsx h ILE 87 CO 0.02 0.22 -0.03 0.78 0.00 0.00 0.00 178.15 179.13 1xsx h ASN 88 N -0.43 0.04 0.01 1.72 4.21 -1.24 0.22 115.58 120.11 1xsx h ASN 88 Ca -0.01 -0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 1xsx h ASN 88 Cb 0.40 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1xsx h ASN 88 CO 0.01 0.08 -0.01 -1.28 -1.29 0.00 0.00 177.43 174.94 1xsx h SER 89 N 0.04 -0.01 0.16 5.81 0.87 -0.96 0.13 113.55 119.60 1xsx h SER 89 Ca 0.01 -0.35 -0.23 0.00 -1.23 0.00 0.00 61.79 59.99 1xsx h SER 89 Cb 0.09 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1xsx h SER 89 CO 0.00 0.34 -1.02 0.58 -0.53 0.00 0.00 176.83 176.21 1xsx h VAL 90 N -0.37 1.41 0.00 2.23 2.07 -1.19 -3.20 116.25 117.21 1xsx h VAL 90 Ca -0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1xsx h VAL 90 Cb 0.36 3.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 1xsx h VAL 90 CO 0.00 0.74 0.00 -0.11 0.02 0.00 0.00 177.57 178.22 1xsx n LEU 91 N -4.02 0.00 -1.16 2.57 7.94 0.75 -4.82 117.00 118.27 1xsx n LEU 91 Ca -0.16 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1xsx n LEU 91 Cb 0.89 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1xsx n LEU 91 CO 0.51 -0.10 0.00 -0.24 -1.11 0.00 0.00 177.39 176.45 1xsx n SER 92 N -1.39 -0.12 0.00 1.96 2.88 0.44 -4.37 113.62 113.02 1xsx n SER 92 Ca 0.08 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1xsx n SER 92 Cb 0.22 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 -1.16 0.00 -2.01 2.46 2.08 -1.24 0.92 119.36 120.41 1xsx n ILE 93 Ca 0.00 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.31 1xsx n ILE 93 Cb 0.06 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 38.95 1xsx n ILE 93 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1xsx n ARG 94 N 0.00 0.00 -0.87 0.38 -4.01 -1.26 -5.19 116.66 105.71 1xsx n ARG 94 Ca 0.00 -0.54 0.00 0.00 -1.04 0.00 0.00 57.85 56.27 1xsx n ARG 94 Cb 0.00 -0.23 0.00 0.00 -3.04 0.00 0.00 32.46 29.19 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53