#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfu n ALA 1 N 0.00 -1.18 0.05 -5.12 0.00 -1.26 -4.99 120.51 108.01 1lfu n ALA 1 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 1lfu n ALA 1 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1lfu n ALA 1 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1lfu h ARG 2 N 0.00 -0.18 -1.11 0.00 0.11 -2.13 -3.48 114.38 107.60 1lfu h ARG 2 Ca -0.18 0.01 0.20 0.00 0.10 0.00 0.00 59.98 60.11 1lfu h ARG 2 Cb 0.54 0.04 -0.29 0.00 1.11 0.00 0.00 29.97 31.36 1lfu h ARG 2 CO 0.12 -0.12 0.88 -0.98 0.10 0.00 0.00 179.97 179.98 1lfu s ARG 3 N -3.51 0.11 0.02 0.08 3.03 -1.26 -5.11 118.95 112.31 1lfu s ARG 3 Ca -0.03 0.07 0.00 0.00 2.03 0.00 0.00 55.73 57.80 1lfu s ARG 3 Cb 0.01 0.05 0.00 0.00 -1.03 0.00 0.00 34.95 33.98 1lfu s ARG 3 CO 0.11 -0.03 0.00 0.36 -1.13 0.00 0.00 175.30 174.61 1lfu n LYS 4 N 1.04 0.00 -3.56 3.89 -0.00 -1.26 -5.17 118.16 113.09 1lfu n LYS 4 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.19 1lfu n LYS 4 Cb 0.58 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.59 1lfu n LYS 4 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1lfu s ARG 5 N -1.43 0.79 0.00 -1.58 1.70 -1.26 -4.98 118.95 112.18 1lfu s ARG 5 Ca 0.00 -0.33 0.00 0.00 -0.47 0.00 0.00 55.73 54.93 1lfu s ARG 5 Cb 0.00 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1lfu s ARG 5 CO 0.00 -0.35 0.00 2.89 -1.08 0.00 0.00 175.30 176.76 1lfu n ARG 6 N -0.27 0.00 0.00 3.89 1.85 -1.26 -5.05 116.66 115.82 1lfu n ARG 6 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1lfu n ARG 6 Cb 0.61 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.02 1lfu n ARG 6 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1lfu n ASN 7 N 0.00 0.00 -4.59 2.89 5.15 -1.26 -4.47 115.26 112.99 1lfu n ASN 7 Ca 0.00 0.27 -0.42 0.00 -0.60 0.00 0.00 54.58 53.83 1lfu n ASN 7 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 1lfu n ASN 7 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1lfu s PHE 8 N -0.55 1.89 1.07 1.20 0.40 -1.26 -4.99 117.98 115.74 1lfu s PHE 8 Ca 0.00 0.67 -0.18 0.00 -0.60 0.00 0.00 56.93 56.82 1lfu s PHE 8 Cb 0.00 -4.16 0.26 0.00 0.51 0.00 0.00 43.02 39.64 1lfu s PHE 8 CO 0.00 -2.62 1.00 -1.71 0.70 0.00 0.00 175.22 172.59 1lfu n ASN 9 N 10.54 -1.71 0.20 1.36 5.15 -1.26 -4.66 115.26 124.89 1lfu n ASN 9 Ca 0.21 -1.14 0.13 0.00 -0.60 0.00 0.00 54.58 53.19 1lfu n ASN 9 Cb 0.48 -0.90 0.72 0.00 -0.53 0.00 0.00 39.78 39.56 1lfu n ASN 9 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1lfu h LYS 10 N 0.00 0.00 0.04 1.20 1.57 -1.97 -2.13 116.57 115.28 1lfu h LYS 10 Ca -0.37 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.34 1lfu h LYS 10 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 1lfu h LYS 10 CO 0.24 0.00 -0.31 0.37 -0.57 0.00 0.00 179.45 179.19 1lfu h GLN 11 N 0.00 0.14 -0.68 3.15 5.75 -1.89 -3.17 115.11 118.41 1lfu h GLN 11 Ca 0.00 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.22 1lfu h GLN 11 Cb 0.04 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1lfu h GLN 11 CO 0.00 1.04 0.13 0.00 -2.65 0.00 0.00 178.83 177.35 1lfu h ALA 12 N 0.11 0.94 0.38 3.38 0.00 -1.51 -2.89 119.26 119.67 1lfu h ALA 12 Ca -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1lfu h ALA 12 Cb 1.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1lfu h ALA 12 CO 0.06 0.66 -0.22 1.79 0.00 0.00 0.00 179.25 181.54 1lfu h THR 13 N 1.04 0.54 -0.89 0.00 1.35 -1.57 0.26 112.91 113.64 1lfu h THR 13 Ca 0.21 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 66.20 1lfu h THR 13 Cb 0.41 0.54 -0.07 0.00 -1.73 0.00 0.00 68.15 67.30 1lfu h THR 13 CO 0.01 0.00 0.58 1.05 -0.25 0.00 0.00 175.52 176.90 1lfu h GLU 14 N -0.57 0.75 0.20 4.72 4.11 -1.54 -1.07 114.58 121.16 1lfu h GLU 14 Ca -0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 1lfu h GLU 14 Cb 0.47 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1lfu h GLU 14 CO 0.05 0.49 -0.09 0.82 0.07 0.00 0.00 179.01 180.35 1lfu h ILE 15 N 0.77 0.69 -0.63 -1.06 2.04 -1.25 -3.11 117.51 114.96 1lfu h ILE 15 Ca 0.44 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1lfu h ILE 15 Cb 0.61 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1lfu h ILE 15 CO -0.20 0.18 0.34 -0.07 0.00 0.00 0.00 178.15 178.40 1lfu h LEU 16 N -0.91 0.79 0.22 1.44 3.38 -0.29 -3.00 115.31 116.93 1lfu h LEU 16 Ca -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1lfu h LEU 16 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1lfu h LEU 16 CO 0.04 0.66 -0.11 -0.55 0.09 0.00 0.00 178.44 178.57 1lfu h ASN 17 N 0.85 -0.25 -1.11 -0.43 7.08 -1.34 0.10 115.58 120.48 1lfu h ASN 17 Ca 0.22 -0.02 0.31 0.00 -3.08 0.00 0.00 56.30 53.73 1lfu h ASN 17 Cb 0.05 0.06 -0.10 0.00 -2.08 0.00 0.00 38.32 36.25 1lfu h ASN 17 CO -0.03 -0.14 0.71 -0.33 -2.08 0.00 0.00 177.43 175.56 1lfu h GLU 18 N -0.34 0.30 0.14 4.14 5.08 -1.48 0.48 114.58 122.89 1lfu h GLU 18 Ca -0.03 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1lfu h GLU 18 Cb 0.26 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1lfu h GLU 18 CO 0.05 0.20 -0.88 -0.92 -1.00 0.00 0.00 179.01 176.46 1lfu h TYR 19 N 0.31 0.53 -0.74 4.33 3.20 -1.31 -3.34 116.97 119.94 1lfu h TYR 19 Ca 0.65 -0.38 0.16 0.00 3.14 0.00 0.00 58.73 62.30 1lfu h TYR 19 Cb 1.79 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.93 1lfu h TYR 19 CO -0.00 1.34 0.19 0.35 -1.64 0.00 0.00 178.16 178.39 1lfu h PHE 20 N -0.37 0.29 0.00 -3.82 3.04 0.13 0.10 116.94 116.31 1lfu h PHE 20 Ca -0.16 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.83 1lfu h PHE 20 Cb 1.65 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1lfu h PHE 20 CO 0.19 -0.08 0.00 0.66 -2.02 0.00 0.00 178.31 177.06 1lfu n TYR 21 N -5.15 0.00 -0.00 0.41 4.01 -0.54 -0.34 117.16 115.56 1lfu n TYR 21 Ca 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1lfu n TYR 21 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 1lfu n TYR 21 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1lfu n SER 22 N -0.26 4.18 -1.35 7.72 7.64 0.35 -4.67 113.62 127.24 1lfu n SER 22 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1lfu n SER 22 Cb 0.00 1.10 0.11 0.00 -1.01 0.00 0.00 64.21 64.42 1lfu n SER 22 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1lfu n HIS 23 N -1.68 1.11 -0.06 1.43 8.25 0.54 -4.91 115.22 119.91 1lfu n HIS 23 Ca -0.01 -1.73 -0.05 0.00 -0.26 0.00 0.00 57.72 55.67 1lfu n HIS 23 Cb 0.15 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 1lfu n HIS 23 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1lfu h LEU 23 N 1.55 -0.67 -0.45 2.41 3.38 -1.77 2.17 115.31 121.93 1lfu h LEU 23 Ca 0.11 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1lfu h LEU 23 Cb 1.29 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1lfu h LEU 23 CO 0.31 -0.13 0.00 -0.24 0.09 0.00 0.00 178.44 178.46 1lfu n SER 23 N -3.65 0.33 -2.67 -0.43 2.88 -1.26 -3.68 113.62 105.13 1lfu n SER 23 Ca -0.01 -1.47 -0.04 0.00 -1.33 0.00 0.00 58.87 56.02 1lfu n SER 23 Cb 0.12 -0.16 0.07 0.00 -0.75 0.00 0.00 64.21 63.48 1lfu n SER 23 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1lfu n ASN 23 N -0.22 -1.38 -4.55 -3.46 0.23 0.10 -5.12 115.26 100.86 1lfu n ASN 23 Ca 0.00 -2.06 -0.40 0.00 -0.53 0.00 0.00 54.58 51.59 1lfu n ASN 23 Cb 0.08 1.19 -0.03 0.00 -2.08 0.00 0.00 39.78 38.94 1lfu n ASN 23 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 1lfu s PRO 24 N 0.08 2.92 -0.30 -0.53 0.02 0.71 -4.75 135.00 133.15 1lfu s PRO 24 Ca 0.15 0.22 0.04 0.00 0.02 0.00 0.00 61.00 61.43 1lfu s PRO 24 Cb 0.23 -4.28 0.17 0.00 0.02 0.00 0.00 34.50 30.65 1lfu s PRO 24 CO -0.12 -2.42 0.47 1.52 -0.33 0.00 0.00 177.00 176.13 1lfu s TYR 25 N 7.39 -1.27 -0.43 6.54 1.13 -1.26 -4.70 117.35 124.75 1lfu s TYR 25 Ca 0.52 0.48 -0.27 0.00 -1.41 0.00 0.00 57.07 56.39 1lfu s TYR 25 Cb -0.10 -0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.72 1lfu s TYR 25 CO 0.18 -1.03 2.00 -1.25 -2.51 0.00 0.00 175.55 172.94 1lfu s PRO 26 N 2.53 2.85 1.00 -3.49 0.04 -1.26 -4.94 135.00 131.73 1lfu s PRO 26 Ca 0.10 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 1lfu s PRO 26 Cb -0.11 -4.35 -0.12 0.00 0.04 0.00 0.00 34.50 29.95 1lfu s PRO 26 CO -0.26 -2.43 -0.77 0.43 0.04 0.00 0.00 177.00 174.01 1lfu n SER 27 N 12.32 -4.74 -0.31 6.66 7.64 -1.26 -3.62 113.62 130.30 1lfu n SER 27 Ca 0.26 0.15 0.16 0.00 1.01 0.00 0.00 58.87 60.45 1lfu n SER 27 Cb 0.50 -0.77 0.33 0.00 -1.01 0.00 0.00 64.21 63.25 1lfu n SER 27 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1lfu h GLU 28 N -1.12 0.12 -0.07 1.43 5.08 -2.00 1.12 114.58 119.15 1lfu h GLU 28 Ca -0.43 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 57.79 1lfu h GLU 28 Cb 1.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1lfu h GLU 28 CO 0.25 0.08 -0.54 1.05 -1.00 0.00 0.00 179.01 178.85 1lfu h GLU 29 N 0.13 0.20 0.64 2.33 4.11 -1.99 -2.74 114.58 117.26 1lfu h GLU 29 Ca 0.61 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.88 1lfu h GLU 29 Cb 1.30 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.57 1lfu h GLU 29 CO -0.74 0.70 -0.31 0.00 0.07 0.00 0.00 179.01 178.73 1lfu h ALA 30 N 1.28 -0.86 -0.05 1.06 0.00 0.10 0.42 119.26 121.22 1lfu h ALA 30 Ca 0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1lfu h ALA 30 Cb 1.01 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1lfu h ALA 30 CO 0.08 -0.92 0.09 1.57 0.00 0.00 0.00 179.25 180.08 1lfu h LYS 31 N -0.98 0.00 0.21 0.00 -0.00 -1.20 0.88 116.57 115.48 1lfu h LYS 31 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.55 1lfu h LYS 31 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.92 1lfu h LYS 31 CO 0.14 0.00 -0.10 0.93 -0.00 0.00 0.00 179.45 180.42 1lfu h GLU 32 N 0.00 -0.27 -0.06 0.07 5.08 -1.09 -1.28 114.58 117.03 1lfu h GLU 32 Ca 0.02 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1lfu h GLU 32 Cb 0.21 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1lfu h GLU 32 CO -0.00 -0.12 -0.03 1.05 -1.00 0.00 0.00 179.01 178.91 1lfu h GLU 33 N -1.06 -0.02 0.27 2.33 4.11 0.54 0.30 114.58 121.05 1lfu h GLU 33 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1lfu h GLU 33 Cb 0.28 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1lfu h GLU 33 CO 0.05 -0.02 -0.41 -0.07 0.07 0.00 0.00 179.01 178.63 1lfu h LEU 34 N -0.03 -1.17 -1.82 3.06 3.38 0.64 0.67 115.31 120.04 1lfu h LEU 34 Ca 0.03 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.31 1lfu h LEU 34 Cb 0.07 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1lfu h LEU 34 CO -0.07 -0.49 0.55 0.00 0.09 0.00 0.00 178.44 178.51 1lfu h ALA 35 N -0.94 2.50 0.00 1.53 0.00 -1.12 1.53 119.26 122.77 1lfu h ALA 35 Ca -0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1lfu h ALA 35 Cb 0.65 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1lfu h ALA 35 CO -0.13 -0.73 -0.65 0.87 0.00 0.00 0.00 179.25 178.62 1lfu h LYS 36 N 0.15 0.43 -0.08 0.00 6.56 -0.07 0.66 116.57 124.23 1lfu h LYS 36 Ca 0.38 -0.47 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 1lfu h LYS 36 Cb 1.28 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 33.07 1lfu h LYS 36 CO -0.06 1.13 -0.04 0.87 -2.06 0.00 0.00 179.45 179.29 1lfu h LYS 37 N -0.07 0.16 0.07 3.15 1.57 0.23 -3.34 116.57 118.35 1lfu h LYS 37 Ca -0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1lfu h LYS 37 Cb 1.36 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1lfu h LYS 37 CO 0.13 0.53 -0.03 0.77 -0.57 0.00 0.00 179.45 180.28 1lfu h SER 38 N -0.21 -0.08 0.00 0.86 0.02 0.20 -3.46 113.55 110.87 1lfu h SER 38 Ca 0.02 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1lfu h SER 38 Cb 0.49 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1lfu h SER 38 CO 0.01 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1lfu n GLY 39 N 0.73 1.81 0.00 -3.77 0.00 0.15 -3.89 105.19 100.21 1lfu n GLY 39 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1lfu n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1lfu n ILE 40 N -0.48 0.00 -5.10 -0.61 -5.35 -0.74 -5.02 119.36 102.06 1lfu n ILE 40 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1lfu n ILE 40 Cb 0.00 -0.54 -0.15 0.00 -1.74 0.00 0.00 39.64 37.21 1lfu n ILE 40 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1lfu s THR 41 N 1.13 2.04 0.00 7.28 -1.32 -1.26 -4.58 115.64 118.93 1lfu s THR 41 Ca 0.00 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 1lfu s THR 41 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 1lfu s THR 41 CO 0.00 0.47 0.20 0.52 -2.21 0.00 0.00 174.62 173.60 1lfu n VAL 42 N 2.15 0.00 -0.57 5.08 0.31 -1.26 0.17 118.33 124.22 1lfu n VAL 42 Ca -0.16 0.34 0.46 0.00 -0.01 0.00 0.00 64.34 64.97 1lfu n VAL 42 Cb 0.52 -0.48 0.77 0.00 -0.91 0.00 0.00 33.84 33.74 1lfu n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1lfu h SER 43 N 0.00 0.05 -0.24 4.52 0.02 -1.97 0.85 113.55 116.78 1lfu h SER 43 Ca 0.00 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1lfu h SER 43 Cb 0.00 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1lfu h SER 43 CO 0.00 -0.04 -0.15 1.56 -1.14 0.00 0.00 176.83 177.07 1lfu h GLN 44 N 0.02 0.67 0.73 3.45 1.08 0.14 -2.23 115.11 118.97 1lfu h GLN 44 Ca 0.83 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.77 1lfu h GLN 44 Cb 3.18 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 30.56 1lfu h GLN 44 CO -0.09 0.78 -0.35 0.28 -0.95 0.00 0.00 178.83 178.50 1lfu h VAL 45 N 0.60 0.26 -0.47 -0.54 2.07 0.88 0.64 116.25 119.70 1lfu h VAL 45 Ca 0.10 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1lfu h VAL 45 Cb 0.59 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1lfu h VAL 45 CO 0.04 0.01 0.37 -1.28 0.02 0.00 0.00 177.57 176.72 1lfu h SER 46 N -1.02 0.00 0.06 0.57 0.87 -1.50 0.50 113.55 113.02 1lfu h SER 46 Ca -0.10 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1lfu h SER 46 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1lfu h SER 46 CO 0.16 0.00 -0.03 -1.13 -0.53 0.00 0.00 176.83 175.31 1lfu h ASN 47 N 0.00 -0.06 0.61 6.23 -0.00 -0.77 -2.37 115.58 119.22 1lfu h ASN 47 Ca 0.22 -0.56 -0.02 0.00 -0.00 0.00 0.00 56.30 55.94 1lfu h ASN 47 Cb 0.96 0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 39.28 1lfu h ASN 47 CO -0.00 0.58 -0.45 -0.25 -0.00 0.00 0.00 177.43 177.31 1lfu h TRP 48 N -0.76 -1.21 -0.37 0.67 7.01 0.21 -3.00 115.95 118.51 1lfu h TRP 48 Ca -0.01 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.06 1lfu h TRP 48 Cb 0.62 0.45 -0.09 0.00 -2.10 0.00 0.00 29.16 28.04 1lfu h TRP 48 CO 0.14 -0.65 -0.34 0.74 -2.79 0.00 0.00 178.44 175.53 1lfu h PHE 49 N -1.02 -0.97 -0.51 2.65 -1.00 -0.23 -2.78 116.94 113.09 1lfu h PHE 49 Ca -0.07 0.06 0.05 0.00 2.81 0.00 0.00 57.97 60.81 1lfu h PHE 49 Cb 0.85 0.48 -0.06 0.00 3.61 0.00 0.00 35.95 40.83 1lfu h PHE 49 CO -0.16 -0.40 -0.30 0.41 -1.61 0.00 0.00 178.31 176.26 1lfu n GLY 50 N -1.42 -1.83 0.21 -1.45 0.00 -0.89 0.15 105.19 99.97 1lfu n GLY 50 Ca 0.00 0.70 0.15 0.00 0.00 0.00 0.00 46.02 46.87 1lfu n GLY 50 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1lfu h ASN 51 N 0.00 0.00 0.12 1.61 -1.07 -1.50 -3.16 115.58 111.58 1lfu h ASN 51 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.45 1lfu h ASN 51 Cb 0.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.46 1lfu h ASN 51 CO -0.48 0.00 -0.06 0.11 0.07 0.00 0.00 177.43 177.07 1lfu h LYS 52 N 0.00 -0.16 -0.52 4.14 1.79 0.17 0.47 116.57 122.45 1lfu h LYS 52 Ca 0.00 0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1lfu h LYS 52 Cb 0.33 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 1lfu h LYS 52 CO 0.00 -0.10 0.04 0.07 -1.08 0.00 0.00 179.45 178.38 1lfu h ARG 53 N -0.17 0.90 0.17 3.15 0.11 -1.51 -1.82 114.38 115.20 1lfu h ARG 53 Ca -0.02 -0.27 0.02 0.00 0.10 0.00 0.00 59.98 59.81 1lfu h ARG 53 Cb 0.13 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.09 1lfu h ARG 53 CO 0.03 0.90 -0.33 0.82 0.10 0.00 0.00 179.97 181.49 1lfu h ILE 54 N 0.78 0.30 -0.62 0.08 1.08 -1.50 -0.13 117.51 117.50 1lfu h ILE 54 Ca 0.15 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.74 1lfu h ILE 54 Cb 0.47 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1lfu h ILE 54 CO 0.02 0.00 0.42 0.03 -0.69 0.00 0.00 178.15 177.93 1lfu h ARG 55 N -0.59 0.33 -0.13 2.37 2.47 -0.83 -2.23 114.38 115.77 1lfu h ARG 55 Ca 0.02 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 1lfu h ARG 55 Cb 0.60 -0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.78 1lfu h ARG 55 CO -0.16 0.22 -0.45 -0.92 0.56 0.00 0.00 179.97 179.21 1lfu h TYR 56 N 0.34 -1.30 -0.12 3.04 5.03 -0.13 0.20 116.97 124.03 1lfu h TYR 56 Ca 0.29 0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.69 1lfu h TYR 56 Cb 0.69 0.59 -0.00 0.00 1.55 0.00 0.00 36.73 39.55 1lfu h TYR 56 CO -0.00 -0.50 0.39 0.87 -1.32 0.00 0.00 178.16 177.61 1lfu h LYS 57 N -0.52 0.00 -0.22 1.82 1.57 -1.10 0.65 116.57 118.78 1lfu h LYS 57 Ca 0.07 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 1lfu h LYS 57 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1lfu h LYS 57 CO -0.41 0.00 -0.66 0.87 -0.57 0.00 0.00 179.45 178.68 1lfu h LYS 58 N 0.00 0.83 -0.71 3.15 6.56 -0.98 -3.36 116.57 122.07 1lfu h LYS 58 Ca 0.06 -0.60 -0.33 0.00 -1.06 0.00 0.00 60.65 58.71 1lfu h LYS 58 Cb 0.84 0.10 -0.40 0.00 -0.57 0.00 0.00 32.23 32.19 1lfu h LYS 58 CO -0.00 1.22 -1.08 0.09 -2.06 0.00 0.00 179.45 177.61 1lfu n ASN 59 N -3.97 2.12 0.00 0.86 3.02 0.27 -5.02 115.26 112.54 1lfu n ASN 59 Ca -0.06 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 51.96 1lfu n ASN 59 Cb 0.69 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1lfu n ASN 59 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1lfu n ILE 60 N -0.45 0.00 0.26 2.41 2.08 0.20 0.23 119.36 124.10 1lfu n ILE 60 Ca 0.14 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.62 1lfu n ILE 60 Cb 0.82 0.00 0.90 0.00 -0.75 0.00 0.00 39.64 40.61 1lfu n ILE 60 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1lfu h GLY 61 N 0.00 0.00 1.07 7.39 0.00 -1.96 -1.48 103.07 108.09 1lfu h GLY 61 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1lfu h GLY 61 CO 0.00 0.00 0.05 1.70 0.00 0.00 0.00 176.54 178.29 1lfu h LYS 62 N 0.00 1.06 0.00 4.80 3.11 0.25 -2.85 116.57 122.95 1lfu h LYS 62 Ca 0.04 -0.31 -0.09 0.00 -2.81 0.00 0.00 60.65 57.48 1lfu h LYS 62 Cb 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 1lfu h LYS 62 CO -0.00 1.01 -0.44 0.74 -2.81 0.00 0.00 179.45 177.95 1lfu h PHE 63 N 0.97 0.00 0.25 1.91 -1.00 -1.23 -3.18 116.94 114.66 1lfu h PHE 63 Ca 0.18 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1lfu h PHE 63 Cb 0.50 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 1lfu h PHE 63 CO 0.04 0.44 -0.25 1.96 -1.61 0.00 0.00 178.31 178.89 1lfu h GLN 64 N 0.00 -0.48 -0.65 1.51 4.20 -1.19 1.14 115.11 119.64 1lfu h GLN 64 Ca -0.00 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.85 1lfu h GLN 64 Cb 1.34 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 29.14 1lfu h GLN 64 CO 0.06 -0.32 0.21 1.49 -0.67 0.00 0.00 178.83 179.59 1lfu h GLU 65 N -0.50 0.34 0.09 1.46 4.57 -1.68 -0.94 114.58 117.92 1lfu h GLU 65 Ca -0.03 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1lfu h GLU 65 Cb 0.43 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 1lfu h GLU 65 CO -0.03 0.23 -0.23 0.93 -1.18 0.00 0.00 179.01 178.73 1lfu h GLU 66 N 0.35 -0.39 -0.93 1.92 4.39 -1.46 0.58 114.58 119.04 1lfu h GLU 66 Ca 0.34 0.03 0.28 0.00 0.34 0.00 0.00 59.36 60.35 1lfu h GLU 66 Cb 0.49 0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 29.08 1lfu h GLU 66 CO -0.38 -0.26 0.29 0.00 -1.16 0.00 0.00 179.01 177.50 1lfu h ALA 67 N 0.38 1.47 -0.07 3.43 0.00 0.27 1.04 119.26 125.78 1lfu h ALA 67 Ca 0.04 0.24 -0.17 0.00 0.00 0.00 0.00 54.91 55.02 1lfu h ALA 67 Cb 0.44 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lfu h ALA 67 CO -0.15 -0.56 -0.68 -0.91 0.00 0.00 0.00 179.25 176.96 1lfu h ASN 68 N 0.17 0.37 0.54 0.00 2.35 -0.47 -0.27 115.58 118.27 1lfu h ASN 68 Ca 0.62 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 56.12 1lfu h ASN 68 Cb 1.35 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.62 1lfu h ASN 68 CO -0.70 0.94 -0.26 0.40 -1.65 0.00 0.00 177.43 176.15 1lfu h ILE 69 N 0.22 0.00 0.00 2.81 2.04 0.32 -3.04 117.51 119.85 1lfu h ILE 69 Ca -0.02 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1lfu h ILE 69 Cb 1.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1lfu h ILE 69 CO 0.11 0.00 -0.21 1.88 0.00 0.00 0.00 178.15 179.93 1lfu h TYR 70 N -0.91 0.00 0.44 1.37 0.05 -0.63 -3.16 116.97 114.13 1lfu h TYR 70 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1lfu h TYR 70 Cb 0.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1lfu h TYR 70 CO 0.05 0.21 -0.36 0.00 -1.05 0.00 0.00 178.16 177.01 1lfu h ALA 71 N 1.79 -0.82 -0.44 3.88 0.00 -1.04 -2.82 119.26 119.81 1lfu h ALA 71 Ca -0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1lfu h ALA 71 Cb 0.48 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1lfu h ALA 71 CO 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 179.25 178.30 1lfu h ALA 72 N -0.38 0.43 -3.00 0.00 0.00 -1.50 -3.38 119.26 111.43 1lfu h ALA 72 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lfu h ALA 72 Cb 0.69 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1lfu h ALA 72 CO -0.02 -0.38 0.00 0.36 0.00 0.00 0.00 179.25 179.22 1lfu n LYS 73 N -5.19 0.00 -1.59 0.00 2.85 -1.14 -5.04 118.16 108.06 1lfu n LYS 73 Ca 0.04 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.32 1lfu n LYS 73 Cb 0.23 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.60 1lfu n LYS 73 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1lfu n THR 74 N 0.00 -2.69 -1.03 0.58 -2.24 -1.08 -4.75 114.28 103.08 1lfu n THR 74 Ca 0.00 1.40 -0.01 0.00 -2.27 0.00 0.00 64.05 63.17 1lfu n THR 74 Cb 0.00 -2.32 -0.00 0.00 -2.10 0.00 0.00 70.33 65.91 1lfu n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lfu n ALA 75 N -2.84 -0.02 -2.10 6.98 0.00 -1.26 -4.98 120.51 116.29 1lfu n ALA 75 Ca -0.01 0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 1lfu n ALA 75 Cb 0.51 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 1lfu n ALA 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1lfu s VAL 76 N -1.57 4.52 -0.16 0.00 0.11 -1.26 -4.98 120.40 117.05 1lfu s VAL 76 Ca 0.00 1.50 -0.01 0.00 -2.93 0.00 0.00 61.98 60.54 1lfu s VAL 76 Cb 0.00 -4.04 -0.23 0.00 -1.53 0.00 0.00 36.38 30.58 1lfu s VAL 76 CO 0.00 0.52 0.21 0.41 -3.33 0.00 0.00 175.10 172.91 1lfu n THR 77 N 1.60 1.67 -0.48 5.04 -1.04 -1.26 -4.91 114.28 114.89 1lfu n THR 77 Ca -0.07 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 1lfu n THR 77 Cb 0.50 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1lfu n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43