#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5p s GLU 2 N 0.00 4.39 0.66 1.64 2.12 -1.26 -5.03 118.70 121.22 1a5p s GLU 2 Ca 0.00 2.03 -0.13 0.00 0.36 0.00 0.00 54.97 57.23 1a5p s GLU 2 Cb 0.00 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 1a5p s GLU 2 CO 0.00 -0.26 1.06 0.95 -0.54 0.00 0.00 175.26 176.47 1a5p s THR 3 N 0.25 3.91 0.23 -1.70 -4.23 -1.26 -4.84 115.64 108.00 1a5p s THR 3 Ca 0.57 0.73 -0.07 0.00 -1.18 0.00 0.00 61.69 61.74 1a5p s THR 3 Cb -0.36 -3.37 0.21 0.00 1.34 0.00 0.00 72.50 70.32 1a5p s THR 3 CO 0.37 -0.71 1.89 0.00 -0.54 0.00 0.00 174.62 175.63 1a5p h ALA 4 N -0.28 1.13 -0.61 3.99 0.00 -1.95 -1.35 119.26 120.19 1a5p h ALA 4 Ca -0.45 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1a5p h ALA 4 Cb 1.21 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1a5p h ALA 4 CO 0.57 0.44 0.17 0.00 0.00 0.00 0.00 179.25 180.43 1a5p h ALA 5 N 1.34 0.80 -0.27 0.00 0.00 -1.90 -1.82 119.26 117.42 1a5p h ALA 5 Ca 0.34 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1a5p h ALA 5 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1a5p h ALA 5 CO -0.10 0.49 -0.35 0.00 0.00 0.00 0.00 179.25 179.30 1a5p h ALA 6 N 1.05 0.90 -0.48 0.00 0.00 -1.84 -2.19 119.26 116.70 1a5p h ALA 6 Ca 0.19 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1a5p h ALA 6 Cb 0.32 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1a5p h ALA 6 CO -0.00 0.63 -0.06 -0.22 0.00 0.00 0.00 179.25 179.59 1a5p h LYS 7 N 0.49 0.85 -0.36 0.00 3.64 -1.04 -1.58 116.57 118.58 1a5p h LYS 7 Ca 0.05 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1a5p h LYS 7 Cb 0.83 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1a5p h LYS 7 CO 0.07 0.89 0.03 0.35 -2.27 0.00 0.00 179.45 178.53 1a5p h PHE 8 N 0.78 0.65 -0.27 1.91 3.04 -1.11 -1.21 116.94 120.71 1a5p h PHE 8 Ca 0.14 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1a5p h PHE 8 Cb 0.56 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1a5p h PHE 8 CO 0.03 0.68 0.18 0.93 -2.02 0.00 0.00 178.31 178.11 1a5p h GLU 9 N 0.43 0.36 -0.27 1.11 5.08 -1.17 -0.38 114.58 119.75 1a5p h GLU 9 Ca 0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1a5p h GLU 9 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1a5p h GLU 9 CO 0.01 0.25 0.11 -0.09 -1.00 0.00 0.00 179.01 178.29 1a5p h ARG 10 N 0.37 0.40 0.00 2.33 2.43 -1.20 -1.68 114.38 117.02 1a5p h ARG 10 Ca 0.10 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 1a5p h ARG 10 Cb -0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1a5p h ARG 10 CO -0.02 0.43 -0.82 1.96 -1.51 0.00 0.00 179.97 180.00 1a5p h GLN 11 N 0.29 0.00 0.00 0.20 4.20 -1.08 -3.40 115.11 115.32 1a5p h GLN 11 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1a5p h GLN 11 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1a5p h GLN 11 CO -0.01 0.82 -0.31 0.72 -0.67 0.00 0.00 178.83 179.38 1a5p n HIS 12 N -3.56 0.00 -3.33 2.96 8.25 -0.16 -4.70 115.22 114.68 1a5p n HIS 12 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1a5p n HIS 12 Cb 0.79 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.83 1a5p n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1a5p s MET 13 N -1.21 4.20 -0.40 -0.41 -1.94 -0.64 0.07 119.30 118.97 1a5p s MET 13 Ca 0.00 0.30 0.06 0.00 -1.71 0.00 0.00 55.69 54.34 1a5p s MET 13 Cb 0.00 -3.53 0.21 0.00 2.01 0.00 0.00 34.83 33.51 1a5p s MET 13 CO 0.00 -0.05 0.43 -3.47 -0.01 0.00 0.00 175.02 171.92 1a5p n ASP 14 N 4.48 -0.28 -0.07 3.03 2.03 -0.56 -4.89 116.55 120.30 1a5p n ASP 14 Ca -0.07 -2.53 0.14 0.00 0.52 0.00 0.00 54.79 52.86 1a5p n ASP 14 Cb 0.51 -0.53 0.68 0.00 -0.72 0.00 0.00 41.12 41.06 1a5p n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1a5p n SER 15 N 2.21 0.27 0.23 1.67 7.64 -1.26 -3.78 113.62 120.61 1a5p n SER 15 Ca 0.26 -0.43 0.12 0.00 1.01 0.00 0.00 58.87 59.83 1a5p n SER 15 Cb 0.50 -0.15 0.40 0.00 -1.01 0.00 0.00 64.21 63.96 1a5p n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1a5p h SER 16 N 0.33 0.00 -3.95 6.43 4.64 -1.92 -3.45 113.55 115.62 1a5p h SER 16 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1a5p h SER 16 Cb 0.32 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.20 1a5p h SER 16 CO 0.00 0.12 -0.80 0.28 -0.87 0.00 0.00 176.83 175.56 1a5p s THR 17 N -3.45 1.71 -0.67 2.95 -1.32 -1.25 -5.04 115.64 108.57 1a5p s THR 17 Ca 0.03 -1.68 0.25 0.00 -1.21 0.00 0.00 61.69 59.07 1a5p s THR 17 Cb 0.08 -1.64 0.11 0.00 -1.51 0.00 0.00 72.50 69.54 1a5p s THR 17 CO 0.63 -0.18 1.44 -1.54 -2.21 0.00 0.00 174.62 172.76 1a5p n SER 18 N 0.77 0.74 -3.61 8.08 3.41 -1.26 -4.71 113.62 117.03 1a5p n SER 18 Ca -0.17 0.25 -0.02 0.00 -0.26 0.00 0.00 58.87 58.67 1a5p n SER 18 Cb 0.55 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 1a5p n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5p s ALA 19 N -3.15 -2.13 0.09 7.33 0.00 -1.26 -4.84 121.76 117.80 1a5p s ALA 19 Ca 0.07 1.07 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 1a5p s ALA 19 Cb 0.13 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.31 1a5p s ALA 19 CO 0.69 -0.84 1.88 0.00 0.00 0.00 0.00 175.76 177.49 1a5p n ALA 20 N -0.31 1.92 0.09 0.00 0.00 -1.26 -4.90 120.51 116.05 1a5p n ALA 20 Ca -0.05 0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.56 1a5p n ALA 20 Cb 0.61 -2.61 -0.08 0.00 0.00 0.00 0.00 19.45 17.36 1a5p n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5p h SER 21 N 9.20 -0.24 -4.65 0.00 4.64 -1.99 -3.48 113.55 117.02 1a5p h SER 21 Ca -0.48 -0.28 -0.50 0.00 -0.47 0.00 0.00 61.79 60.06 1a5p h SER 21 Cb 1.23 0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 1a5p h SER 21 CO 0.94 0.23 -0.42 -1.54 -0.87 0.00 0.00 176.83 175.17 1a5p n SER 22 N -5.00 1.17 0.00 4.97 3.41 -1.26 -5.02 113.62 111.88 1a5p n SER 22 Ca -0.08 -2.96 0.10 0.00 -0.26 0.00 0.00 58.87 55.66 1a5p n SER 22 Cb 0.26 0.94 0.47 0.00 -0.26 0.00 0.00 64.21 65.62 1a5p n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5p n SER 23 N -1.58 0.00 -0.40 4.04 3.41 -1.26 -2.58 113.62 115.25 1a5p n SER 23 Ca -0.05 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1a5p n SER 23 Cb 0.55 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 64.29 1a5p n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a5p n ASN 24 N -1.40 1.61 -0.09 4.04 5.03 -1.26 -4.45 115.26 118.74 1a5p n ASN 24 Ca 0.07 -1.26 -0.07 0.00 0.87 0.00 0.00 54.58 54.18 1a5p n ASN 24 Cb 0.20 0.29 -0.01 0.00 -1.02 0.00 0.00 39.78 39.24 1a5p n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1a5p h TYR 25 N 1.99 -0.73 -0.87 3.10 3.20 -1.90 -1.51 116.97 120.25 1a5p h TYR 25 Ca 0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1a5p h TYR 25 Cb 0.65 0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 1a5p h TYR 25 CO 0.00 -0.34 0.53 0.00 -1.64 0.00 0.00 178.16 176.71 1a5p h ASN 27 N 1.19 0.68 0.80 0.00 -0.26 -1.67 -0.35 115.58 115.97 1a5p h ASN 27 Ca 0.31 -0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1a5p h ASN 27 Cb -0.06 -0.17 0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1a5p h ASN 27 CO -0.06 0.58 -0.39 1.56 -1.06 0.00 0.00 177.43 178.06 1a5p h GLN 28 N 0.72 -1.04 -0.48 0.81 7.50 -0.83 -3.06 115.11 118.73 1a5p h GLN 28 Ca 0.19 0.07 -0.11 0.00 0.50 0.00 0.00 58.65 59.30 1a5p h GLN 28 Cb 0.05 0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.81 1a5p h GLN 28 CO -0.03 -0.69 -0.15 0.52 -1.50 0.00 0.00 178.83 176.99 1a5p h MET 29 N -1.12 0.94 -0.50 1.46 2.86 -0.93 -1.76 114.93 115.88 1a5p h MET 29 Ca -0.11 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1a5p h MET 29 Cb 0.84 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 1a5p h MET 29 CO 0.18 1.04 0.33 0.52 1.06 0.00 0.00 176.91 180.04 1a5p h MET 30 N 0.79 0.61 0.07 1.72 2.86 -1.14 -1.21 114.93 118.64 1a5p h MET 30 Ca 0.12 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1a5p h MET 30 Cb 0.71 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1a5p h MET 30 CO 0.05 0.40 -0.03 -0.22 1.06 0.00 0.00 176.91 178.17 1a5p h LYS 31 N 0.63 -0.09 0.00 1.72 1.63 -1.40 -0.40 116.57 118.65 1a5p h LYS 31 Ca 0.19 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1a5p h LYS 31 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1a5p h LYS 31 CO -0.05 0.45 0.00 -1.13 -3.45 0.00 0.00 179.45 175.28 1a5p n SER 32 N -4.79 0.53 -0.86 4.20 3.41 -0.68 -1.30 113.62 114.13 1a5p n SER 32 Ca -0.07 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 1a5p n SER 32 Cb 0.29 -0.75 0.28 0.00 -0.26 0.00 0.00 64.21 63.77 1a5p n SER 32 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1a5p n ARG 33 N -2.09 2.12 -2.69 4.33 5.12 -0.47 -4.94 116.66 118.05 1a5p n ARG 33 Ca 0.02 -1.70 -0.13 0.00 -1.93 0.00 0.00 57.85 54.11 1a5p n ARG 33 Cb 0.20 -1.44 0.02 0.00 -1.16 0.00 0.00 32.46 30.07 1a5p n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1a5p n ASN 34 N 0.92 -4.23 -1.02 0.55 5.03 -0.42 -4.86 115.26 111.22 1a5p n ASN 34 Ca 0.18 -0.16 0.12 0.00 0.87 0.00 0.00 54.58 55.58 1a5p n ASN 34 Cb 0.46 -3.12 0.19 0.00 -1.02 0.00 0.00 39.78 36.29 1a5p n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1a5p n LEU 35 N -2.44 3.11 -0.41 3.41 4.77 -0.16 -4.22 117.00 121.05 1a5p n LEU 35 Ca -0.07 -1.22 0.07 0.00 -0.03 0.00 0.00 56.01 54.76 1a5p n LEU 35 Cb 0.57 -0.14 0.16 0.00 -2.33 0.00 0.00 43.42 41.69 1a5p n LEU 35 CO 0.27 0.61 0.43 0.35 -1.33 0.00 0.00 177.39 177.72 1a5p n THR 36 N 1.33 1.87 0.00 -5.08 -2.24 -1.23 -1.10 114.28 107.82 1a5p n THR 36 Ca 0.17 -2.57 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 1a5p n THR 36 Cb 0.58 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1a5p n THR 36 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a5p n LYS 37 N -1.13 0.00 0.21 -0.78 4.01 -1.26 -4.35 118.16 114.87 1a5p n LYS 37 Ca 0.16 0.35 0.14 0.00 -0.51 0.00 0.00 58.31 58.45 1a5p n LYS 37 Cb 0.69 -0.85 0.41 0.00 -0.51 0.00 0.00 35.03 34.78 1a5p n LYS 37 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1a5p h ASP 38 N 0.00 0.00 -5.70 4.39 3.32 -1.91 -3.46 116.42 113.05 1a5p h ASP 38 Ca 0.00 0.00 0.30 0.00 0.02 0.00 0.00 57.03 57.35 1a5p h ASP 38 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1a5p h ASP 38 CO 0.00 0.00 0.79 0.00 -1.72 0.00 0.00 179.24 178.31 1a5p s ARG 39 N -3.36 0.59 -0.18 3.56 1.04 -1.26 -5.13 118.95 114.21 1a5p s ARG 39 Ca 0.05 -0.35 -0.13 0.00 -1.04 0.00 0.00 55.73 54.26 1a5p s ARG 39 Cb 0.08 0.18 -0.05 0.00 -2.04 0.00 0.00 34.95 33.12 1a5p s ARG 39 CO 0.59 -0.27 0.26 0.00 -0.04 0.00 0.00 175.30 175.84 1a5p s ALA 40 N -2.35 3.60 -0.04 7.88 0.00 -1.26 -3.72 121.76 125.87 1a5p s ALA 40 Ca 0.19 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1a5p s ALA 40 Cb 0.02 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.71 1a5p s ALA 40 CO -0.01 0.04 1.53 0.21 0.00 0.00 0.00 175.76 177.53 1a5p s LYS 41 N 0.60 4.22 0.32 0.00 2.20 -0.26 -4.86 119.74 121.95 1a5p s LYS 41 Ca 0.14 2.08 0.06 0.00 -0.36 0.00 0.00 55.97 57.89 1a5p s LYS 41 Cb -0.13 -3.80 0.55 0.00 -1.51 0.00 0.00 37.83 32.95 1a5p s LYS 41 CO 0.03 -0.74 1.79 -1.00 -0.36 0.00 0.00 175.35 175.07 1a5p h PRO 42 N 8.76 0.33 -3.93 4.03 0.13 -1.94 -3.44 132.00 135.95 1a5p h PRO 42 Ca -0.38 -0.11 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 1a5p h PRO 42 Cb 1.17 -0.03 -0.30 0.00 0.13 0.00 0.00 31.00 31.97 1a5p h PRO 42 CO 0.94 0.56 -0.74 0.08 -0.23 0.00 0.00 178.00 178.61 1a5p s VAL 43 N -4.50 0.21 -0.09 1.56 1.01 -1.26 -0.66 120.40 116.67 1a5p s VAL 43 Ca -0.06 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 1a5p s VAL 43 Cb 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.34 1a5p s VAL 43 CO 0.76 0.10 0.49 0.21 0.00 0.00 0.00 175.10 176.66 1a5p s ASN 44 N 0.35 -0.46 -0.06 3.32 2.47 -0.17 -5.01 114.94 115.38 1a5p s ASN 44 Ca -0.03 0.63 0.05 0.00 0.42 0.00 0.00 52.86 53.93 1a5p s ASN 44 Cb -0.06 0.66 -0.01 0.00 -1.45 0.00 0.00 41.25 40.39 1a5p s ASN 44 CO -0.01 -0.39 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.86 1a5p s THR 45 N -0.68 2.19 -0.08 -5.21 2.01 -1.26 -0.61 115.64 112.00 1a5p s THR 45 Ca -0.08 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 1a5p s THR 45 Cb -0.03 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1a5p s THR 45 CO 0.05 0.57 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.17 1a5p s PHE 46 N -0.15 3.10 -0.19 4.92 0.08 -0.24 -4.40 117.98 121.09 1a5p s PHE 46 Ca -0.04 0.15 -0.04 0.00 0.12 0.00 0.00 56.93 57.13 1a5p s PHE 46 Cb -0.14 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1a5p s PHE 46 CO 0.04 0.43 -0.04 0.08 -0.10 0.00 0.00 175.22 175.63 1a5p s VAL 47 N -0.87 3.62 -1.11 -0.44 1.01 0.11 -0.40 120.40 122.32 1a5p s VAL 47 Ca 0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1a5p s VAL 47 Cb -0.11 -2.62 0.28 0.00 0.00 0.00 0.00 36.38 33.93 1a5p s VAL 47 CO 0.02 0.45 1.71 1.41 0.00 0.00 0.00 175.10 178.69 1a5p n HIS 48 N 4.20 2.49 -4.13 5.22 -0.00 0.33 -1.49 115.22 121.84 1a5p n HIS 48 Ca -0.18 -2.61 -0.10 0.00 -0.00 0.00 0.00 57.72 54.83 1a5p n HIS 48 Cb 0.52 -1.38 -0.09 0.00 -0.00 0.00 0.00 29.99 29.04 1a5p n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1a5p s GLU 49 N -2.68 1.08 0.64 -0.41 0.41 -1.26 -4.54 118.70 111.95 1a5p s GLU 49 Ca 0.36 -1.46 -0.16 0.00 -0.41 0.00 0.00 54.97 53.30 1a5p s GLU 49 Cb 0.11 0.28 -0.01 0.00 -1.78 0.00 0.00 34.13 32.73 1a5p s GLU 49 CO 0.01 -0.35 1.14 -1.54 -0.49 0.00 0.00 175.26 174.03 1a5p s SER 50 N -3.07 5.11 0.25 -0.19 1.04 -1.26 -4.14 113.70 111.44 1a5p s SER 50 Ca 0.28 2.12 -0.05 0.00 0.48 0.00 0.00 55.95 58.78 1a5p s SER 50 Cb 0.06 -2.57 0.29 0.00 0.10 0.00 0.00 66.02 63.91 1a5p s SER 50 CO 0.05 -1.63 1.88 0.25 0.98 0.00 0.00 173.24 174.77 1a5p h LEU 51 N 0.30 1.05 -0.79 2.42 5.85 -1.98 -2.12 115.31 120.04 1a5p h LEU 51 Ca -0.48 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1a5p h LEU 51 Cb 1.26 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1a5p h LEU 51 CO 0.54 0.84 0.51 0.00 -0.34 0.00 0.00 178.44 179.99 1a5p h ALA 52 N 1.33 1.01 -0.49 1.25 0.00 -1.99 0.94 119.26 121.31 1a5p h ALA 52 Ca 0.30 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1a5p h ALA 52 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1a5p h ALA 52 CO -0.05 0.43 -0.02 -0.44 0.00 0.00 0.00 179.25 179.17 1a5p h ASP 53 N 1.08 0.80 0.00 0.00 5.19 -1.80 -1.32 116.42 120.38 1a5p h ASP 53 Ca 0.29 -0.21 -0.24 0.00 -0.62 0.00 0.00 57.03 56.25 1a5p h ASP 53 Cb -0.11 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.20 1a5p h ASP 53 CO -0.06 0.88 -0.91 0.58 -3.12 0.00 0.00 179.24 176.61 1a5p h VAL 54 N 0.77 1.30 -0.18 -1.35 2.07 -0.84 -3.08 116.25 114.94 1a5p h VAL 54 Ca 0.14 -2.16 -0.05 0.00 0.82 0.00 0.00 66.70 65.45 1a5p h VAL 54 Cb 0.49 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1a5p h VAL 54 CO 0.02 0.67 -0.14 1.56 0.02 0.00 0.00 177.57 179.71 1a5p h GLN 55 N 0.43 0.28 0.00 1.57 4.20 -0.70 -2.35 115.11 118.54 1a5p h GLN 55 Ca -0.09 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1a5p h GLN 55 Cb 1.54 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1a5p h GLN 55 CO 0.18 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1a5p h ALA 56 N 1.60 1.00 0.00 3.87 0.00 -1.15 -2.48 119.26 122.10 1a5p h ALA 56 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a5p h ALA 56 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a5p h ALA 56 CO 0.02 0.00 -0.13 0.28 0.00 0.00 0.00 179.25 179.42 1a5p h VAL 57 N 0.00 0.67 0.00 0.00 2.07 -1.46 -2.06 116.25 115.47 1a5p h VAL 57 Ca 0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1a5p h VAL 57 Cb 0.19 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1a5p h VAL 57 CO 0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1a5p n SER 59 N -1.39 2.43 0.00 0.00 3.41 -0.78 -5.01 113.62 112.29 1a5p n SER 59 Ca 0.03 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 1a5p n SER 59 Cb 0.07 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1a5p n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5p n GLN 60 N -1.24 1.92 -2.17 4.33 6.02 -0.30 -4.99 117.38 120.95 1a5p n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 1a5p n GLN 60 Cb 0.61 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.85 1a5p n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1a5p s LYS 61 N 4.64 3.39 -0.17 -1.09 2.47 -0.98 -4.85 119.74 123.14 1a5p s LYS 61 Ca 0.00 1.11 -0.29 0.00 -1.56 0.00 0.00 55.97 55.23 1a5p s LYS 61 Cb 0.00 -4.13 -0.02 0.00 -1.46 0.00 0.00 37.83 32.22 1a5p s LYS 61 CO 0.00 -1.79 1.40 1.21 0.16 0.00 0.00 175.35 176.32 1a5p s ASN 62 N 5.21 6.77 0.21 1.43 3.04 -1.26 0.09 114.94 130.43 1a5p s ASN 62 Ca 0.70 1.71 0.01 0.00 0.04 0.00 0.00 52.86 55.32 1a5p s ASN 62 Cb -0.17 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 36.95 1a5p s ASN 62 CO 0.32 -0.91 0.05 0.68 -3.04 0.00 0.00 177.10 174.20 1a5p s VAL 63 N 3.98 0.56 0.44 -5.21 -7.23 -0.31 -4.95 120.40 107.68 1a5p s VAL 63 Ca 0.61 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.57 1a5p s VAL 63 Cb -0.24 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 1a5p s VAL 63 CO 0.21 -0.24 1.10 0.00 -0.31 0.00 0.00 175.10 175.85 1a5p s ALA 64 N -3.75 2.99 0.68 1.32 0.00 -1.26 -3.09 121.76 118.64 1a5p s ALA 64 Ca 0.31 0.78 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1a5p s ALA 64 Cb 0.07 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1a5p s ALA 64 CO 0.09 -0.43 1.04 0.00 0.00 0.00 0.00 175.76 176.46 1a5p h LYS 66 N -0.54 0.31 -0.43 0.00 3.64 -1.93 -1.24 116.57 116.38 1a5p h LYS 66 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1a5p h LYS 66 Cb 1.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1a5p h LYS 66 CO 0.63 0.21 0.00 0.27 -2.27 0.00 0.00 179.45 178.29 1a5p n ASN 67 N -4.48 1.93 0.00 4.20 0.23 -1.26 -4.87 115.26 111.00 1a5p n ASN 67 Ca 0.04 -2.09 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1a5p n ASN 67 Cb 0.19 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1a5p n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a5p n GLY 68 N 0.79 2.72 3.67 4.83 0.00 -0.47 -5.03 105.19 111.70 1a5p n GLY 68 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1a5p n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a5p n GLN 69 N -2.00 1.29 -0.62 1.61 6.02 -1.26 -4.56 117.38 117.86 1a5p n GLN 69 Ca 0.00 0.48 0.04 0.00 -0.01 0.00 0.00 57.00 57.51 1a5p n GLN 69 Cb 0.00 -2.32 0.26 0.00 1.02 0.00 0.00 30.24 29.20 1a5p n GLN 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1a5p n THR 70 N -1.27 2.46 -1.46 5.09 5.66 -1.26 0.15 114.28 123.64 1a5p n THR 70 Ca 0.12 -2.00 -0.14 0.00 -3.05 0.00 0.00 64.05 58.99 1a5p n THR 70 Cb 0.45 -0.29 0.16 0.00 -1.55 0.00 0.00 70.33 69.11 1a5p n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1a5p n ASN 71 N -0.54 3.52 -4.89 1.09 2.04 -1.26 -4.76 115.26 110.46 1a5p n ASN 71 Ca 0.27 -3.76 -0.31 0.00 -0.44 0.00 0.00 54.58 50.34 1a5p n ASN 71 Cb 1.01 -0.69 -0.05 0.00 -2.53 0.00 0.00 39.78 37.53 1a5p n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a5p s TYR 73 N -1.50 0.75 -0.16 0.00 1.51 0.85 -1.17 117.35 117.63 1a5p s TYR 73 Ca 0.34 -0.17 -0.06 0.00 -1.01 0.00 0.00 57.07 56.16 1a5p s TYR 73 Cb -0.13 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1a5p s TYR 73 CO 0.27 -0.08 0.04 -1.14 -1.11 0.00 0.00 175.55 173.53 1a5p s GLN 74 N 0.18 3.80 0.42 -0.62 0.74 0.11 -1.66 119.66 122.63 1a5p s GLN 74 Ca -0.02 -0.36 -0.25 0.00 0.05 0.00 0.00 55.36 54.77 1a5p s GLN 74 Cb -0.07 -3.12 -0.08 0.00 1.10 0.00 0.00 33.01 30.83 1a5p s GLN 74 CO 0.00 0.35 1.33 -1.54 -0.55 0.00 0.00 175.29 174.88 1a5p s SER 75 N 0.15 6.15 0.21 6.67 1.04 -0.52 -2.32 113.70 125.08 1a5p s SER 75 Ca 0.04 2.71 -0.04 0.00 0.48 0.00 0.00 55.95 59.14 1a5p s SER 75 Cb -0.12 -2.64 0.16 0.00 0.10 0.00 0.00 66.02 63.52 1a5p s SER 75 CO 0.01 -0.96 1.59 1.88 0.98 0.00 0.00 173.24 176.73 1a5p h TYR 76 N 2.51 0.82 -1.26 5.02 0.05 -1.95 -3.44 116.97 118.72 1a5p h TYR 76 Ca -0.50 -0.22 -0.56 0.00 0.05 0.00 0.00 58.73 57.50 1a5p h TYR 76 Cb 1.25 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.75 1a5p h TYR 76 CO 0.52 0.94 -0.42 -1.54 -1.05 0.00 0.00 178.16 176.62 1a5p s SER 77 N -6.82 4.62 0.54 3.88 1.04 -1.26 -5.06 113.70 110.64 1a5p s SER 77 Ca -0.09 -1.06 -0.14 0.00 0.48 0.00 0.00 55.95 55.14 1a5p s SER 77 Cb 0.12 -0.23 -0.06 0.00 0.10 0.00 0.00 66.02 65.95 1a5p s SER 77 CO 0.84 -0.73 0.98 0.42 0.98 0.00 0.00 173.24 175.73 1a5p s THR 78 N -2.62 4.62 0.08 2.02 -4.23 -1.26 -4.43 115.64 109.81 1a5p s THR 78 Ca 0.40 1.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.98 1a5p s THR 78 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1a5p s THR 78 CO 0.23 -0.83 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.33 1a5p s MET 79 N -4.44 0.78 -0.13 3.99 -1.94 0.16 -4.82 119.30 112.91 1a5p s MET 79 Ca 0.57 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.18 1a5p s MET 79 Cb -0.10 -0.50 -0.02 0.00 2.01 0.00 0.00 34.83 36.22 1a5p s MET 79 CO 0.39 0.08 1.18 0.45 -0.01 0.00 0.00 175.02 177.11 1a5p s SER 80 N -2.24 7.04 0.13 3.03 0.15 -1.26 -1.44 113.70 119.11 1a5p s SER 80 Ca 0.02 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.36 1a5p s SER 80 Cb -0.04 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 1a5p s SER 80 CO 0.00 -0.65 -0.02 0.27 1.20 0.00 0.00 173.24 174.04 1a5p s ILE 81 N 2.80 0.62 -0.09 6.45 -5.25 0.16 -0.51 121.20 125.38 1a5p s ILE 81 Ca 0.53 -1.95 0.00 0.00 -0.99 0.00 0.00 60.65 58.24 1a5p s ILE 81 Cb -0.21 -1.91 0.02 0.00 2.95 0.00 0.00 42.46 43.31 1a5p s ILE 81 CO 0.17 -0.66 -0.08 -0.89 -1.79 0.00 0.00 174.94 171.69 1a5p s THR 82 N -3.68 0.92 -0.13 8.37 2.01 0.46 -1.28 115.64 122.31 1a5p s THR 82 Ca 0.18 -0.27 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 1a5p s THR 82 Cb 0.06 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1a5p s THR 82 CO -0.00 0.34 0.42 -0.62 -0.69 0.00 0.00 174.62 174.06 1a5p s ASP 83 N 1.37 6.61 -0.23 3.53 -1.08 0.41 -1.08 116.67 126.19 1a5p s ASP 83 Ca -0.02 0.72 -0.01 0.00 -0.52 0.00 0.00 52.55 52.72 1a5p s ASP 83 Cb -0.14 -2.25 0.02 0.00 -1.46 0.00 0.00 42.92 39.09 1a5p s ASP 83 CO -0.04 0.04 -0.09 0.00 0.52 0.00 0.00 175.17 175.60 1a5p s ARG 85 N 1.34 1.12 0.34 0.00 3.52 -0.94 -1.00 118.95 123.33 1a5p s ARG 85 Ca 0.02 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.04 1a5p s ARG 85 Cb -0.15 -1.02 -0.10 0.00 -1.56 0.00 0.00 34.95 32.11 1a5p s ARG 85 CO -0.06 0.06 1.36 -2.00 -0.81 0.00 0.00 175.30 173.85 1a5p s GLU 86 N 0.44 4.28 0.69 5.12 2.12 0.16 -0.04 118.70 131.48 1a5p s GLU 86 Ca -0.08 2.32 -0.11 0.00 0.36 0.00 0.00 54.97 57.46 1a5p s GLU 86 Cb -0.12 -3.04 0.01 0.00 0.26 0.00 0.00 34.13 31.24 1a5p s GLU 86 CO 0.01 -0.29 1.08 0.95 -0.54 0.00 0.00 175.26 176.47 1a5p s THR 87 N -1.10 3.66 -0.47 -1.70 -4.23 -1.00 -4.82 115.64 105.98 1a5p s THR 87 Ca 0.50 0.51 0.16 0.00 -1.18 0.00 0.00 61.69 61.68 1a5p s THR 87 Cb -0.42 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.06 1a5p s THR 87 CO 0.56 -0.69 1.49 0.61 -0.54 0.00 0.00 174.62 176.05 1a5p n GLY 88 N -2.95 -0.83 0.96 3.99 0.00 -1.26 -1.88 105.19 103.23 1a5p n GLY 88 Ca 0.07 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1a5p n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a5p n SER 89 N -2.03 3.52 -4.70 1.61 3.41 -1.26 -5.00 113.62 109.16 1a5p n SER 89 Ca -0.00 -2.16 -0.42 0.00 -0.26 0.00 0.00 58.87 56.03 1a5p n SER 89 Cb 0.05 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 1a5p n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1a5p s SER 90 N -1.08 7.21 -0.26 4.04 0.15 -0.79 -4.88 113.70 118.10 1a5p s SER 90 Ca 0.35 1.78 0.01 0.00 0.70 0.00 0.00 55.95 58.79 1a5p s SER 90 Cb 0.20 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1a5p s SER 90 CO 0.21 -0.40 -0.03 -0.75 1.20 0.00 0.00 173.24 173.47 1a5p s LYS 91 N 1.34 1.57 0.31 5.44 2.47 -1.15 -4.89 119.74 124.83 1a5p s LYS 91 Ca 0.54 -1.15 -0.29 0.00 -1.56 0.00 0.00 55.97 53.52 1a5p s LYS 91 Cb -0.24 -2.64 -0.13 0.00 -1.46 0.00 0.00 37.83 33.36 1a5p s LYS 91 CO 0.26 -0.68 1.20 0.98 0.16 0.00 0.00 175.35 177.28 1a5p n TYR 92 N 4.61 1.89 0.87 4.03 9.36 -1.26 -0.40 117.16 136.26 1a5p n TYR 92 Ca -0.09 0.59 0.14 0.00 3.32 0.00 0.00 57.90 61.86 1a5p n TYR 92 Cb 0.43 -2.36 0.52 0.00 -0.63 0.00 0.00 39.34 37.30 1a5p n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1a5p n PRO 93 N 0.83 0.09 -1.87 2.98 -0.04 -1.26 -4.95 135.00 130.78 1a5p n PRO 93 Ca 0.07 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 1a5p n PRO 93 Cb 0.34 -1.60 -0.01 0.00 -0.04 0.00 0.00 33.50 32.18 1a5p n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a5p n ASN 94 N -1.76 3.87 -4.67 3.54 4.13 0.46 -4.93 115.26 115.90 1a5p n ASN 94 Ca 0.06 -2.83 -0.43 0.00 1.68 0.00 0.00 54.58 53.07 1a5p n ASN 94 Cb 0.37 -1.60 -0.02 0.00 -1.54 0.00 0.00 39.78 36.99 1a5p n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1a5p s ALA 95 N 4.23 3.58 -0.21 5.41 0.00 -1.26 -2.92 121.76 130.61 1a5p s ALA 95 Ca 0.52 0.42 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1a5p s ALA 95 Cb 0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1a5p s ALA 95 CO -0.00 -0.94 0.09 0.00 0.00 0.00 0.00 175.76 174.91 1a5p s ALA 96 N 2.85 3.45 -0.01 0.00 0.00 -1.26 -4.94 121.76 121.85 1a5p s ALA 96 Ca 0.51 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1a5p s ALA 96 Cb -0.20 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1a5p s ALA 96 CO 0.15 0.01 -0.24 0.71 0.00 0.00 0.00 175.76 176.39 1a5p s TYR 97 N 0.68 2.14 -0.04 0.00 2.02 -1.26 -2.39 117.35 118.50 1a5p s TYR 97 Ca 0.05 -0.40 -0.20 0.00 -0.37 0.00 0.00 57.07 56.14 1a5p s TYR 97 Cb -0.13 -1.37 -0.05 0.00 -0.40 0.00 0.00 41.96 40.02 1a5p s TYR 97 CO 0.01 -0.02 0.58 0.21 -1.57 0.00 0.00 175.55 174.77 1a5p s LYS 98 N -0.65 4.33 -0.21 -0.62 2.20 0.94 -4.62 119.74 121.11 1a5p s LYS 98 Ca 0.09 0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 56.34 1a5p s LYS 98 Cb -0.09 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1a5p s LYS 98 CO -0.01 0.27 -0.01 -0.08 -0.36 0.00 0.00 175.35 175.16 1a5p s THR 99 N 0.18 3.73 -0.24 3.43 -1.32 -1.26 -2.22 115.64 117.94 1a5p s THR 99 Ca 0.31 -0.38 0.02 0.00 -1.21 0.00 0.00 61.69 60.43 1a5p s THR 99 Cb -0.17 -2.69 0.05 0.00 -1.51 0.00 0.00 72.50 68.17 1a5p s THR 99 CO 0.16 0.42 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.96 1a5p s THR 100 N 1.21 2.11 0.17 5.08 2.01 -0.38 -4.95 115.64 120.89 1a5p s THR 100 Ca 0.03 -1.42 -0.19 0.00 0.31 0.00 0.00 61.69 60.42 1a5p s THR 100 Cb -0.15 -2.14 -0.08 0.00 0.01 0.00 0.00 72.50 70.15 1a5p s THR 100 CO 0.00 0.13 0.66 -1.58 -0.69 0.00 0.00 174.62 173.14 1a5p s GLN 101 N 1.17 4.21 0.20 4.92 2.00 -1.26 -0.45 119.66 130.45 1a5p s GLN 101 Ca -0.05 0.78 -0.23 0.00 -2.00 0.00 0.00 55.36 53.86 1a5p s GLN 101 Cb -0.18 -3.00 0.05 0.00 0.80 0.00 0.00 33.01 30.68 1a5p s GLN 101 CO -0.07 0.48 0.80 0.00 -0.50 0.00 0.00 175.29 176.00 1a5p s ALA 102 N -1.39 -1.45 -0.26 1.58 0.00 -0.40 -4.97 121.76 114.87 1a5p s ALA 102 Ca 0.38 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1a5p s ALA 102 Cb -0.17 0.75 0.05 0.00 0.00 0.00 0.00 23.12 23.75 1a5p s ALA 102 CO 0.21 -0.99 -0.10 -0.80 0.00 0.00 0.00 175.76 174.07 1a5p s ASN 103 N -2.88 4.35 0.26 0.00 0.01 -1.26 -0.67 114.94 114.75 1a5p s ASN 103 Ca 0.10 -1.28 -0.09 0.00 -0.71 0.00 0.00 52.86 50.88 1a5p s ASN 103 Cb -0.04 -1.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.05 1a5p s ASN 103 CO 0.02 -0.17 0.43 -0.54 -1.51 0.00 0.00 177.10 175.32 1a5p s LYS 104 N 1.15 1.57 0.37 -0.60 1.02 -0.52 -4.76 119.74 117.97 1a5p s LYS 104 Ca -0.07 -1.41 -0.24 0.00 0.02 0.00 0.00 55.97 54.27 1a5p s LYS 104 Cb -0.19 0.44 -0.10 0.00 -0.52 0.00 0.00 37.83 37.46 1a5p s LYS 104 CO -0.05 -0.64 0.99 -1.01 -0.92 0.00 0.00 175.35 173.72 1a5p s HIS 105 N -3.83 3.46 0.13 3.18 3.76 -1.26 0.40 115.29 121.12 1a5p s HIS 105 Ca 0.27 1.70 0.06 0.00 -0.15 0.00 0.00 55.06 56.93 1a5p s HIS 105 Cb 0.01 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 1a5p s HIS 105 CO 0.12 -0.19 0.02 0.96 -0.85 0.00 0.00 174.74 174.80 1a5p s ILE 106 N -1.72 4.01 -0.14 0.60 -4.36 -1.26 -0.74 121.20 117.59 1a5p s ILE 106 Ca 0.55 -1.14 0.01 0.00 -0.26 0.00 0.00 60.65 59.81 1a5p s ILE 106 Cb -0.19 -2.97 0.02 0.00 1.25 0.00 0.00 42.46 40.58 1a5p s ILE 106 CO 0.24 0.01 -0.15 -0.63 0.24 0.00 0.00 174.94 174.65 1a5p s ILE 107 N -1.51 1.58 0.14 8.37 1.01 0.58 -1.43 121.20 129.94 1a5p s ILE 107 Ca 0.27 -0.66 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1a5p s ILE 107 Cb -0.11 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1a5p s ILE 107 CO 0.19 0.46 -0.15 0.68 0.00 0.00 0.00 174.94 176.12 1a5p s VAL 108 N 1.30 1.48 -0.12 2.92 -7.23 -0.67 -0.33 120.40 117.75 1a5p s VAL 108 Ca 0.01 -1.79 -0.13 0.00 -1.81 0.00 0.00 61.98 58.26 1a5p s VAL 108 Cb -0.14 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1a5p s VAL 108 CO -0.08 -0.39 0.31 0.00 -0.31 0.00 0.00 175.10 174.63 1a5p s ALA 109 N -2.13 3.64 0.12 1.32 0.00 -0.56 -0.11 121.76 124.04 1a5p s ALA 109 Ca 0.11 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 51.72 1a5p s ALA 109 Cb -0.05 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1a5p s ALA 109 CO 0.04 0.23 -0.08 0.00 0.00 0.00 0.00 175.76 175.95 1a5p s GLU 111 N -2.35 1.51 1.48 0.00 2.02 -0.45 -4.91 118.70 116.01 1a5p s GLU 111 Ca 0.23 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1a5p s GLU 111 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1a5p s GLU 111 CO 0.15 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1a5p n GLY 112 N -0.38 -1.54 2.66 -1.39 0.00 -1.26 -2.20 105.19 101.08 1a5p n GLY 112 Ca -0.07 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 1a5p n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a5p s ASN 113 N -4.00 2.21 0.64 1.61 2.47 -1.26 -2.33 114.94 114.28 1a5p s ASN 113 Ca 0.00 -0.50 -0.15 0.00 0.42 0.00 0.00 52.86 52.63 1a5p s ASN 113 Cb 0.00 -0.32 -0.01 0.00 -1.45 0.00 0.00 41.25 39.47 1a5p s ASN 113 CO 0.00 -0.31 1.09 -2.16 -3.72 0.00 0.00 177.10 172.00 1a5p s PRO 114 N 2.07 2.95 -0.58 0.43 0.04 -1.26 -5.06 135.00 133.58 1a5p s PRO 114 Ca 0.02 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 1a5p s PRO 114 Cb -0.15 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1a5p s PRO 114 CO -0.08 -1.12 1.89 -0.47 0.04 0.00 0.00 177.00 177.26 1a5p s TYR 115 N -2.42 1.64 0.18 0.56 5.04 -0.99 -4.87 117.35 116.49 1a5p s TYR 115 Ca 0.65 0.83 0.06 0.00 -2.44 0.00 0.00 57.07 56.17 1a5p s TYR 115 Cb -0.19 -4.06 -0.05 0.00 0.35 0.00 0.00 41.96 38.02 1a5p s TYR 115 CO 0.41 -2.36 -0.10 0.14 -1.34 0.00 0.00 175.55 172.29 1a5p s VAL 116 N 9.10 1.36 0.24 3.14 -7.23 -0.93 -4.85 120.40 121.23 1a5p s VAL 116 Ca 0.70 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1a5p s VAL 116 Cb -0.14 -1.98 -0.11 0.00 0.56 0.00 0.00 36.38 34.72 1a5p s VAL 116 CO 0.22 -0.64 1.55 -2.16 -0.31 0.00 0.00 175.10 173.76 1a5p s PRO 117 N -3.72 4.19 0.00 4.82 0.04 -1.26 -1.34 135.00 137.73 1a5p s PRO 117 Ca 0.20 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1a5p s PRO 117 Cb 0.02 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1a5p s PRO 117 CO 0.04 -0.57 0.00 1.33 0.04 0.00 0.00 177.00 177.84 1a5p n VAL 118 N 2.78 0.00 -3.82 -0.36 0.24 -0.24 -4.57 118.33 112.36 1a5p n VAL 118 Ca 0.10 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 62.03 1a5p n VAL 118 Cb 0.38 0.80 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 1a5p n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1a5p s HIS 119 N -0.92 -0.13 -0.40 6.34 3.76 -1.19 -4.66 115.29 118.09 1a5p s HIS 119 Ca 0.00 0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 55.03 1a5p s HIS 119 Cb 0.00 0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.74 1a5p s HIS 119 CO 0.00 -0.23 0.38 0.12 -0.85 0.00 0.00 174.74 174.15 1a5p s PHE 120 N -0.69 3.20 -0.15 1.40 2.19 -1.26 -1.50 117.98 121.17 1a5p s PHE 120 Ca -0.08 -0.38 -0.26 0.00 0.33 0.00 0.00 56.93 56.54 1a5p s PHE 120 Cb -0.04 -2.75 -0.25 0.00 -1.31 0.00 0.00 43.02 38.67 1a5p s PHE 120 CO 0.02 -0.61 0.63 0.22 1.83 0.00 0.00 175.22 177.30 1a5p h ASP 121 N 8.65 0.06 -1.70 6.13 3.58 -1.02 -3.48 116.42 128.64 1a5p h ASP 121 Ca -0.27 -0.86 0.23 0.00 0.42 0.00 0.00 57.03 56.55 1a5p h ASP 121 Cb 1.12 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.11 1a5p h ASP 121 CO 0.75 1.19 0.63 0.00 -2.88 0.00 0.00 179.24 178.94 1a5p n ALA 122 N -2.84 -2.56 -2.80 -0.78 0.00 -1.03 -4.96 120.51 105.53 1a5p n ALA 122 Ca -0.17 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.53 1a5p n ALA 122 Cb 0.58 0.17 -0.11 0.00 0.00 0.00 0.00 19.45 20.09 1a5p n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a5p s SER 123 N -3.05 0.76 0.00 0.00 1.04 -1.26 -0.30 113.70 110.88 1a5p s SER 123 Ca 0.21 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1a5p s SER 123 Cb -0.01 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1a5p s SER 123 CO 0.00 -0.25 0.07 0.55 0.98 0.00 0.00 173.24 174.59