#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lsq s GLU 2 N 0.00 3.07 1.00 -1.58 2.02 -1.26 -5.10 118.70 116.85 1lsq s GLU 2 Ca 0.00 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.06 1lsq s GLU 2 Cb 0.00 -2.55 0.19 0.00 0.10 0.00 0.00 34.13 31.87 1lsq s GLU 2 CO 0.00 -0.09 1.08 0.95 0.02 0.00 0.00 175.26 177.22 1lsq s THR 3 N 1.01 2.28 0.38 3.63 -4.23 -1.26 -4.77 115.64 112.68 1lsq s THR 3 Ca -0.02 0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.66 1lsq s THR 3 Cb -0.15 -2.36 0.18 0.00 1.34 0.00 0.00 72.50 71.51 1lsq s THR 3 CO -0.05 -0.12 1.93 0.00 -0.54 0.00 0.00 174.62 175.84 1lsq h ALA 4 N -2.00 1.51 -0.18 3.99 0.00 -1.97 -0.68 119.26 119.93 1lsq h ALA 4 Ca -0.53 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 1lsq h ALA 4 Cb 1.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1lsq h ALA 4 CO 0.51 0.35 -0.59 0.00 0.00 0.00 0.00 179.25 179.53 1lsq h ALA 5 N 1.63 0.64 -0.09 0.00 0.00 -1.89 -1.83 119.26 117.73 1lsq h ALA 5 Ca 0.07 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 1lsq h ALA 5 Cb 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lsq h ALA 5 CO 0.01 0.70 -0.59 0.00 0.00 0.00 0.00 179.25 179.36 1lsq h ALA 6 N 0.92 0.83 -0.22 0.00 0.00 -1.68 -2.22 119.26 116.89 1lsq h ALA 6 Ca -0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 1lsq h ALA 6 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1lsq h ALA 6 CO 0.11 0.72 -0.55 -0.22 0.00 0.00 0.00 179.25 179.31 1lsq h LYS 7 N 0.22 0.65 -0.81 0.00 3.64 -1.07 -1.11 116.57 118.09 1lsq h LYS 7 Ca -0.00 -0.41 0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1lsq h LYS 7 Cb 1.10 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1lsq h LYS 7 CO 0.10 1.03 0.49 0.35 -2.27 0.00 0.00 179.45 179.14 1lsq h PHE 8 N 0.50 0.91 -0.45 1.91 3.57 -1.10 0.21 116.94 122.49 1lsq h PHE 8 Ca 0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1lsq h PHE 8 Cb 1.11 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1lsq h PHE 8 CO 0.05 0.46 0.00 0.93 -2.23 0.00 0.00 178.31 177.53 1lsq h GLU 9 N 0.91 0.80 -0.76 1.11 5.08 -1.07 -0.41 114.58 120.24 1lsq h GLU 9 Ca 0.35 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1lsq h GLU 9 Cb 0.16 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1lsq h GLU 9 CO -0.17 0.86 0.34 -0.09 -1.00 0.00 0.00 179.01 178.94 1lsq h ARG 10 N 0.65 1.11 0.00 2.33 2.43 -0.83 -1.91 114.38 118.15 1lsq h ARG 10 Ca 0.13 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1lsq h ARG 10 Cb 0.50 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1lsq h ARG 10 CO 0.02 0.88 -0.39 1.96 -1.51 0.00 0.00 179.97 180.94 1lsq h GLN 11 N 1.08 0.00 0.00 0.20 4.20 -0.44 -3.41 115.11 116.73 1lsq h GLN 11 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1lsq h GLN 11 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1lsq h GLN 11 CO -0.03 0.20 0.00 0.72 -0.67 0.00 0.00 178.83 179.05 1lsq n HIS 12 N -3.08 0.00 -4.56 2.96 8.25 -0.17 -4.73 115.22 113.88 1lsq n HIS 12 Ca 0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.15 1lsq n HIS 12 Cb 0.63 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.61 1lsq n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1lsq s MET 13 N -0.13 3.51 -0.40 -0.41 -1.94 -0.72 0.20 119.30 119.41 1lsq s MET 13 Ca 0.00 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 1lsq s MET 13 Cb 0.00 -2.78 0.16 0.00 2.01 0.00 0.00 34.83 34.22 1lsq s MET 13 CO 0.00 0.26 0.35 0.34 -0.01 0.00 0.00 175.02 175.96 1lsq s ASP 14 N 0.29 1.45 0.00 3.03 2.15 -0.42 -4.84 116.67 118.33 1lsq s ASP 14 Ca -0.06 -2.56 0.12 0.00 0.43 0.00 0.00 52.55 50.48 1lsq s ASP 14 Cb -0.15 -0.08 0.47 0.00 -0.30 0.00 0.00 42.92 42.87 1lsq s ASP 14 CO 0.04 -0.20 1.34 -1.54 -0.17 0.00 0.00 175.17 174.64 1lsq n SER 15 N 3.30 1.03 -0.10 -0.34 3.41 -1.26 -3.82 113.62 115.83 1lsq n SER 15 Ca 0.22 -1.83 0.14 0.00 -0.26 0.00 0.00 58.87 57.14 1lsq n SER 15 Cb 0.46 -0.10 0.76 0.00 -0.26 0.00 0.00 64.21 65.06 1lsq n SER 15 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1lsq n SER 16 N -0.01 0.32 -3.81 4.04 3.41 -1.26 -4.78 113.62 111.53 1lsq n SER 16 Ca 0.10 -1.22 -0.12 0.00 -0.26 0.00 0.00 58.87 57.38 1lsq n SER 16 Cb 0.19 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1lsq n SER 16 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1lsq s THR 17 N -1.99 0.09 -0.74 6.66 -1.32 -1.25 -5.05 115.64 112.04 1lsq s THR 17 Ca 0.41 -0.71 0.25 0.00 -1.21 0.00 0.00 61.69 60.43 1lsq s THR 17 Cb 0.19 -0.75 0.09 0.00 -1.51 0.00 0.00 72.50 70.51 1lsq s THR 17 CO 0.32 -0.39 1.44 -1.54 -2.21 0.00 0.00 174.62 172.24 1lsq n SER 18 N 0.95 0.63 -3.68 8.08 3.41 -1.26 -4.79 113.62 116.97 1lsq n SER 18 Ca -0.20 0.14 -0.04 0.00 -0.26 0.00 0.00 58.87 58.51 1lsq n SER 18 Cb 0.58 0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1lsq n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lsq s ALA 19 N -3.12 -1.77 0.15 7.33 0.00 -1.26 -4.87 121.76 118.21 1lsq s ALA 19 Ca 0.08 0.42 -0.34 0.00 0.00 0.00 0.00 51.96 52.12 1lsq s ALA 19 Cb 0.14 0.54 -0.14 0.00 0.00 0.00 0.00 23.12 23.66 1lsq s ALA 19 CO 0.69 -0.96 1.56 0.00 0.00 0.00 0.00 175.76 177.05 1lsq n ALA 20 N -0.42 1.15 0.21 0.00 0.00 -1.26 -4.85 120.51 115.33 1lsq n ALA 20 Ca -0.07 0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.91 1lsq n ALA 20 Cb 0.61 -2.33 0.31 0.00 0.00 0.00 0.00 19.45 18.04 1lsq n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1lsq h SER 21 N 5.89 0.00 -2.37 0.00 4.64 -1.98 -3.47 113.55 116.26 1lsq h SER 21 Ca -0.45 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.02 1lsq h SER 21 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1lsq h SER 21 CO 0.88 0.23 0.54 -1.54 -0.87 0.00 0.00 176.83 176.08 1lsq n SER 22 N -3.26 -1.58 0.05 4.97 3.41 -1.26 -5.02 113.62 110.93 1lsq n SER 22 Ca 0.01 -1.83 0.07 0.00 -0.26 0.00 0.00 58.87 56.87 1lsq n SER 22 Cb 0.52 2.57 0.32 0.00 -0.26 0.00 0.00 64.21 67.36 1lsq n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1lsq n SER 23 N -1.23 0.24 -0.66 4.04 3.41 -1.26 -2.02 113.62 116.13 1lsq n SER 23 Ca -0.02 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 1lsq n SER 23 Cb 0.53 -0.62 0.36 0.00 -0.26 0.00 0.00 64.21 64.22 1lsq n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1lsq n ASN 24 N -1.78 1.99 -0.02 4.04 0.23 -1.26 -4.46 115.26 114.00 1lsq n ASN 24 Ca 0.02 -1.74 -0.11 0.00 -0.53 0.00 0.00 54.58 52.22 1lsq n ASN 24 Cb 0.13 -0.10 -0.05 0.00 -2.08 0.00 0.00 39.78 37.67 1lsq n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1lsq h TYR 25 N 2.73 0.17 -0.29 -2.53 3.20 -1.81 -2.25 116.97 116.20 1lsq h TYR 25 Ca 0.00 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1lsq h TYR 25 Cb 0.60 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1lsq h TYR 25 CO 0.10 0.19 -0.33 0.00 -1.64 0.00 0.00 178.16 176.49 1lsq h ASN 27 N 0.53 0.77 0.16 0.00 2.35 -1.71 -0.78 115.58 116.89 1lsq h ASN 27 Ca 0.06 0.01 -0.28 0.00 -0.55 0.00 0.00 56.30 55.54 1lsq h ASN 27 Cb 0.82 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 39.06 1lsq h ASN 27 CO 0.07 0.47 -1.34 1.56 -1.65 0.00 0.00 177.43 176.54 1lsq h GLN 28 N 0.86 0.34 -0.20 0.81 4.20 -0.82 -3.34 115.11 116.96 1lsq h GLN 28 Ca 0.38 -0.59 -0.17 0.00 0.06 0.00 0.00 58.65 58.33 1lsq h GLN 28 Cb 0.34 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1lsq h GLN 28 CO -0.15 1.28 -0.57 0.52 -0.67 0.00 0.00 178.83 179.25 1lsq h MET 29 N -0.16 0.63 -0.95 1.46 2.86 -0.76 0.03 114.93 118.04 1lsq h MET 29 Ca -0.26 -0.40 0.04 0.00 -2.06 0.00 0.00 59.70 57.01 1lsq h MET 29 Cb 1.87 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 33.53 1lsq h MET 29 CO 0.15 1.02 0.62 0.52 1.06 0.00 0.00 176.91 180.27 1lsq h MET 30 N 0.48 1.16 -0.13 1.72 2.86 -1.33 -0.56 114.93 119.12 1lsq h MET 30 Ca 0.01 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.45 1lsq h MET 30 Cb 1.13 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1lsq h MET 30 CO 0.11 0.76 -0.40 -0.22 1.06 0.00 0.00 176.91 178.23 1lsq h LYS 31 N 1.19 0.50 0.00 1.72 3.64 -1.64 -1.66 116.57 120.31 1lsq h LYS 31 Ca 0.38 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1lsq h LYS 31 Cb 0.01 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1lsq h LYS 31 CO -0.12 0.98 -0.40 0.66 -2.27 0.00 0.00 179.45 178.30 1lsq h SER 32 N 0.10 0.00 -0.17 4.20 4.64 -0.72 -1.30 113.55 120.30 1lsq h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1lsq h SER 32 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1lsq h SER 32 CO 0.09 0.40 0.00 0.54 -0.87 0.00 0.00 176.83 176.99 1lsq n ARG 33 N -3.55 1.41 -3.48 4.77 5.12 -0.24 -4.91 116.66 115.77 1lsq n ARG 33 Ca -0.00 -0.61 -0.22 0.00 -1.93 0.00 0.00 57.85 55.08 1lsq n ARG 33 Cb 0.53 -1.15 0.07 0.00 -1.16 0.00 0.00 32.46 30.74 1lsq n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1lsq n ASN 34 N -0.00 -6.14 -1.24 0.55 5.03 -0.49 -4.85 115.26 108.12 1lsq n ASN 34 Ca 0.06 -0.48 0.11 0.00 0.87 0.00 0.00 54.58 55.14 1lsq n ASN 34 Cb 0.16 -4.78 0.29 0.00 -1.02 0.00 0.00 39.78 34.43 1lsq n ASN 34 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1lsq n LEU 35 N -4.66 3.61 -0.72 3.41 4.77 -0.63 -4.25 117.00 118.53 1lsq n LEU 35 Ca -0.00 -1.76 0.04 0.00 -0.03 0.00 0.00 56.01 54.26 1lsq n LEU 35 Cb 0.56 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1lsq n LEU 35 CO 0.60 0.88 0.28 0.35 -1.33 0.00 0.00 177.39 178.16 1lsq n THR 36 N 1.50 0.76 -0.02 -5.08 -2.24 -1.25 -3.48 114.28 104.47 1lsq n THR 36 Ca 0.22 -1.30 -0.16 0.00 -2.27 0.00 0.00 64.05 60.54 1lsq n THR 36 Cb 0.58 0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 69.08 1lsq n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lsq h LYS 37 N 0.46 0.40 0.00 -0.78 1.57 -1.92 -3.37 116.57 112.93 1lsq h LYS 37 Ca -0.07 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1lsq h LYS 37 Cb 1.40 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1lsq h LYS 37 CO 0.03 1.02 -0.71 -0.40 -0.57 0.00 0.00 179.45 178.82 1lsq n ASP 38 N -4.30 0.91 -3.58 0.86 5.75 -1.26 -5.04 116.55 109.89 1lsq n ASP 38 Ca -0.09 -0.60 -0.06 0.00 -0.01 0.00 0.00 54.79 54.03 1lsq n ASP 38 Cb 0.59 1.10 -0.02 0.00 -1.03 0.00 0.00 41.12 41.77 1lsq n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1lsq s ARG 39 N -2.16 0.73 -0.48 0.11 1.70 -1.26 -5.11 118.95 112.48 1lsq s ARG 39 Ca 0.02 -0.31 -0.27 0.00 -0.47 0.00 0.00 55.73 54.71 1lsq s ARG 39 Cb 0.08 0.31 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1lsq s ARG 39 CO 0.44 -0.32 1.01 0.00 -1.08 0.00 0.00 175.30 175.34 1lsq s LYS 41 N 4.04 4.21 0.20 0.00 2.20 -1.23 -4.90 119.74 124.26 1lsq s LYS 41 Ca 0.40 2.37 0.09 0.00 -0.36 0.00 0.00 55.97 58.48 1lsq s LYS 41 Cb -0.09 -3.25 0.05 0.00 -1.51 0.00 0.00 37.83 33.03 1lsq s LYS 41 CO 0.28 -0.64 1.43 -1.35 -0.36 0.00 0.00 175.35 174.71 1lsq h PRO 42 N 7.14 0.00 -3.41 4.03 0.11 -1.94 -3.44 132.00 134.49 1lsq h PRO 42 Ca -0.43 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 1lsq h PRO 42 Cb 1.20 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.08 1lsq h PRO 42 CO 0.92 0.80 -0.50 0.14 -0.21 0.00 0.00 178.00 179.15 1lsq s VAL 43 N -3.09 0.04 -0.08 3.15 -7.23 -1.26 -0.84 120.40 111.10 1lsq s VAL 43 Ca 0.00 -0.35 -0.28 0.00 -1.81 0.00 0.00 61.98 59.55 1lsq s VAL 43 Cb 0.11 -0.34 0.06 0.00 0.56 0.00 0.00 36.38 36.77 1lsq s VAL 43 CO 0.79 -0.19 0.63 0.21 -0.31 0.00 0.00 175.10 176.23 1lsq s ASN 44 N -0.65 -0.61 -0.04 4.85 2.47 -0.61 -5.02 114.94 115.34 1lsq s ASN 44 Ca -0.07 0.74 0.07 0.00 0.42 0.00 0.00 52.86 54.01 1lsq s ASN 44 Cb -0.04 0.64 -0.02 0.00 -1.45 0.00 0.00 41.25 40.38 1lsq s ASN 44 CO 0.01 -0.53 -0.25 -0.89 -3.72 0.00 0.00 177.10 171.71 1lsq s THR 45 N -0.97 2.08 0.03 -5.21 2.01 -1.26 -1.34 115.64 110.97 1lsq s THR 45 Ca -0.10 -1.08 0.05 0.00 0.31 0.00 0.00 61.69 60.87 1lsq s THR 45 Cb -0.01 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1lsq s THR 45 CO 0.08 0.58 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.13 1lsq s PHE 46 N -0.39 2.79 -0.20 4.92 0.08 0.13 -4.49 117.98 120.82 1lsq s PHE 46 Ca 0.03 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 1lsq s PHE 46 Cb -0.12 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1lsq s PHE 46 CO 0.01 0.35 -0.06 0.08 -0.10 0.00 0.00 175.22 175.50 1lsq s VAL 47 N -1.01 3.31 -0.95 -0.44 1.01 0.13 -0.77 120.40 121.67 1lsq s VAL 47 Ca 0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1lsq s VAL 47 Cb -0.11 -2.48 0.29 0.00 0.00 0.00 0.00 36.38 34.08 1lsq s VAL 47 CO 0.08 0.45 1.22 1.41 0.00 0.00 0.00 175.10 178.26 1lsq n HIS 48 N 4.45 2.93 -4.06 5.22 -0.00 0.11 -1.30 115.22 122.57 1lsq n HIS 48 Ca -0.18 -3.18 -0.10 0.00 -0.00 0.00 0.00 57.72 54.26 1lsq n HIS 48 Cb 0.51 -1.09 -0.07 0.00 -0.00 0.00 0.00 29.99 29.34 1lsq n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1lsq s GLU 49 N -2.53 1.39 0.54 -0.41 0.41 -1.26 -4.44 118.70 112.39 1lsq s GLU 49 Ca 0.33 -1.36 -0.20 0.00 -0.41 0.00 0.00 54.97 53.33 1lsq s GLU 49 Cb 0.06 0.40 -0.05 0.00 -1.78 0.00 0.00 34.13 32.75 1lsq s GLU 49 CO 0.05 -0.54 1.18 0.45 -0.49 0.00 0.00 175.26 175.91 1lsq s SER 50 N -3.06 5.63 0.40 -0.19 0.15 -1.26 -4.46 113.70 110.91 1lsq s SER 50 Ca 0.27 2.31 0.11 0.00 0.70 0.00 0.00 55.95 59.34 1lsq s SER 50 Cb 0.02 -2.59 0.82 0.00 -1.71 0.00 0.00 66.02 62.55 1lsq s SER 50 CO 0.09 -1.29 1.91 0.25 1.20 0.00 0.00 173.24 175.40 1lsq h LEU 51 N 1.31 0.12 -1.15 3.45 5.85 -1.99 -1.92 115.31 120.98 1lsq h LEU 51 Ca -0.50 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 1lsq h LEU 51 Cb 1.27 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1lsq h LEU 51 CO 0.57 0.34 -0.17 0.00 -0.34 0.00 0.00 178.44 178.84 1lsq h ALA 52 N 1.68 1.29 -0.07 1.25 0.00 -1.99 0.26 119.26 121.69 1lsq h ALA 52 Ca 0.02 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1lsq h ALA 52 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lsq h ALA 52 CO 0.03 0.47 -0.66 -0.44 0.00 0.00 0.00 179.25 178.65 1lsq h ASP 53 N 0.36 0.32 0.16 0.00 3.32 -1.74 -2.93 116.42 115.91 1lsq h ASP 53 Ca 0.06 -0.20 -0.24 0.00 0.02 0.00 0.00 57.03 56.67 1lsq h ASP 53 Cb 0.51 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.98 1lsq h ASP 53 CO 0.03 0.89 -0.98 0.58 -1.72 0.00 0.00 179.24 178.04 1lsq h VAL 54 N 0.20 1.34 -0.07 -1.35 2.07 -0.81 -3.20 116.25 114.43 1lsq h VAL 54 Ca -0.01 -2.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.13 1lsq h VAL 54 Cb 1.19 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1lsq h VAL 54 CO 0.10 0.71 -0.18 1.56 0.02 0.00 0.00 177.57 179.78 1lsq h GLN 55 N 0.32 0.11 0.00 1.57 4.20 -0.54 -1.57 115.11 119.21 1lsq h GLN 55 Ca -0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1lsq h GLN 55 Cb 1.62 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.39 1lsq h GLN 55 CO 0.18 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.64 1lsq h ALA 56 N 1.71 1.00 0.00 3.87 0.00 -1.50 -2.82 119.26 121.52 1lsq h ALA 56 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lsq h ALA 56 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1lsq h ALA 56 CO 0.03 0.00 -0.01 0.28 0.00 0.00 0.00 179.25 179.54 1lsq h VAL 57 N 0.00 0.57 0.00 0.00 2.07 -1.33 -0.54 116.25 117.01 1lsq h VAL 57 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1lsq h VAL 57 Cb 0.37 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1lsq h VAL 57 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1lsq n SER 59 N -2.07 3.35 0.00 0.00 3.41 -0.21 -4.98 113.62 113.12 1lsq n SER 59 Ca -0.00 -3.17 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1lsq n SER 59 Cb 0.06 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1lsq n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lsq n GLN 60 N -0.79 0.59 -2.66 4.33 6.02 0.05 -4.98 117.38 119.94 1lsq n GLN 60 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.79 1lsq n GLN 60 Cb 0.87 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.11 1lsq n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1lsq s LYS 61 N 4.20 4.30 0.08 -1.09 2.20 -0.98 -4.83 119.74 123.62 1lsq s LYS 61 Ca 0.00 1.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.68 1lsq s LYS 61 Cb 0.00 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1lsq s LYS 61 CO 0.00 -0.56 1.02 1.21 -0.36 0.00 0.00 175.35 176.66 1lsq s ASN 62 N 1.19 7.38 0.08 1.43 3.04 -1.26 -0.52 114.94 126.27 1lsq s ASN 62 Ca 0.45 1.83 -0.00 0.00 0.04 0.00 0.00 52.86 55.18 1lsq s ASN 62 Cb -0.16 -2.58 -0.04 0.00 -1.54 0.00 0.00 41.25 36.93 1lsq s ASN 62 CO 0.09 -0.19 -0.02 0.68 -3.04 0.00 0.00 177.10 174.62 1lsq s VAL 63 N 0.38 0.30 0.36 -5.21 -7.23 -0.20 -4.91 120.40 103.88 1lsq s VAL 63 Ca 0.50 -1.86 -0.27 0.00 -1.81 0.00 0.00 61.98 58.54 1lsq s VAL 63 Cb -0.24 -1.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.92 1lsq s VAL 63 CO 0.30 -0.84 1.19 0.00 -0.31 0.00 0.00 175.10 175.44 1lsq s ALA 64 N -3.88 3.29 0.34 1.32 0.00 -1.26 -3.44 121.76 118.13 1lsq s ALA 64 Ca 0.12 1.03 -0.27 0.00 0.00 0.00 0.00 51.96 52.84 1lsq s ALA 64 Cb 0.07 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1lsq s ALA 64 CO -0.06 -0.49 1.12 0.00 0.00 0.00 0.00 175.76 176.33 1lsq h LYS 66 N 3.20 0.03 0.00 0.00 1.79 -1.88 -3.38 116.57 116.33 1lsq h LYS 66 Ca -0.48 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 1lsq h LYS 66 Cb 1.22 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1lsq h LYS 66 CO 0.65 0.90 0.00 -0.25 -1.08 0.00 0.00 179.45 179.67 1lsq n ASP 67 N -3.29 0.00 0.00 0.86 8.00 -1.26 -5.11 116.55 115.74 1lsq n ASP 67 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1lsq n ASP 67 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 1lsq n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lsq n GLY 68 N 0.00 0.27 0.00 0.44 0.00 -1.26 -5.20 105.19 99.44 1lsq n GLY 68 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1lsq n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lsq n GLN 69 N 0.00 1.79 -0.66 1.61 3.00 -1.26 -4.69 117.38 117.17 1lsq n GLN 69 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1lsq n GLN 69 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 30.24 30.44 1lsq n GLN 69 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1lsq n THR 70 N 0.00 2.36 -1.21 5.09 -2.24 -1.26 -0.81 114.28 116.21 1lsq n THR 70 Ca 0.00 -2.90 -0.30 0.00 -2.27 0.00 0.00 64.05 58.58 1lsq n THR 70 Cb 0.00 -0.28 0.07 0.00 -2.10 0.00 0.00 70.33 68.02 1lsq n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1lsq n ASN 71 N -1.12 7.36 -4.74 3.42 6.94 -1.26 -4.64 115.26 121.23 1lsq n ASN 71 Ca 0.26 -3.58 -0.29 0.00 -0.02 0.00 0.00 54.58 50.94 1lsq n ASN 71 Cb 0.86 -1.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 1lsq n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1lsq s TYR 73 N -1.47 0.04 -0.10 0.00 2.02 0.16 -1.03 117.35 116.97 1lsq s TYR 73 Ca 0.28 -0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1lsq s TYR 73 Cb -0.11 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1lsq s TYR 73 CO 0.21 -0.01 -0.02 -1.14 -1.57 0.00 0.00 175.55 173.01 1lsq s GLN 74 N -0.10 3.10 0.35 -0.62 0.74 0.32 -1.88 119.66 121.56 1lsq s GLN 74 Ca -0.01 -0.46 -0.27 0.00 0.05 0.00 0.00 55.36 54.66 1lsq s GLN 74 Cb -0.01 -2.78 -0.09 0.00 1.10 0.00 0.00 33.01 31.23 1lsq s GLN 74 CO -0.00 0.59 1.17 -1.54 -0.55 0.00 0.00 175.29 174.95 1lsq s SER 75 N -0.57 6.83 0.10 6.67 1.04 0.12 -2.31 113.70 125.58 1lsq s SER 75 Ca 0.09 2.38 -0.15 0.00 0.48 0.00 0.00 55.95 58.75 1lsq s SER 75 Cb -0.12 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.32 1lsq s SER 75 CO 0.02 -0.46 1.48 1.88 0.98 0.00 0.00 173.24 177.13 1lsq h TYR 76 N 3.16 0.78 -3.40 5.02 0.05 -1.94 -3.43 116.97 117.20 1lsq h TYR 76 Ca -0.48 -0.19 -0.46 0.00 0.05 0.00 0.00 58.73 57.65 1lsq h TYR 76 Cb 1.22 -0.18 0.06 0.00 1.01 0.00 0.00 36.73 38.84 1lsq h TYR 76 CO 0.57 0.88 0.13 -1.12 -1.05 0.00 0.00 178.16 177.57 1lsq s SER 77 N -6.36 5.33 0.35 3.88 0.01 -1.26 -5.04 113.70 110.61 1lsq s SER 77 Ca -0.13 0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.53 1lsq s SER 77 Cb 0.09 -1.37 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 1lsq s SER 77 CO 0.81 -1.20 0.66 0.42 0.41 0.00 0.00 173.24 174.33 1lsq s THR 78 N -2.98 4.92 0.14 1.44 -4.23 -1.26 -4.45 115.64 109.22 1lsq s THR 78 Ca 0.56 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 61.39 1lsq s THR 78 Cb -0.10 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1lsq s THR 78 CO 0.43 -0.45 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.90 1lsq s MET 79 N -3.79 1.06 -0.31 3.99 -1.94 0.13 -4.85 119.30 113.59 1lsq s MET 79 Ca 0.47 -1.37 -0.27 0.00 -1.71 0.00 0.00 55.69 52.81 1lsq s MET 79 Cb -0.10 -0.75 0.01 0.00 2.01 0.00 0.00 34.83 36.00 1lsq s MET 79 CO 0.32 0.12 0.95 0.45 -0.01 0.00 0.00 175.02 176.84 1lsq s SER 80 N -2.90 6.83 0.15 3.03 0.15 -1.26 -1.80 113.70 117.90 1lsq s SER 80 Ca 0.14 0.91 0.04 0.00 0.70 0.00 0.00 55.95 57.73 1lsq s SER 80 Cb -0.01 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1lsq s SER 80 CO 0.02 -0.75 -0.08 0.27 1.20 0.00 0.00 173.24 173.89 1lsq s ILE 81 N 3.32 1.08 -0.08 6.45 -4.36 -0.56 -0.71 121.20 126.33 1lsq s ILE 81 Ca 0.40 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 1lsq s ILE 81 Cb -0.13 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.70 1lsq s ILE 81 CO 0.13 -0.71 -0.17 -0.89 0.24 0.00 0.00 174.94 173.54 1lsq s THR 82 N -3.38 1.52 -0.23 8.37 2.01 0.05 -1.09 115.64 122.88 1lsq s THR 82 Ca 0.17 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.34 1lsq s THR 82 Cb 0.03 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1lsq s THR 82 CO 0.01 0.44 0.29 -0.62 -0.69 0.00 0.00 174.62 174.05 1lsq s ASP 83 N 0.59 6.27 -0.23 3.53 2.15 -0.47 0.17 116.67 128.68 1lsq s ASP 83 Ca -0.15 0.31 -0.02 0.00 0.43 0.00 0.00 52.55 53.11 1lsq s ASP 83 Cb -0.16 -2.18 0.01 0.00 -0.30 0.00 0.00 42.92 40.29 1lsq s ASP 83 CO 0.05 -0.04 -0.07 0.00 -0.17 0.00 0.00 175.17 174.95 1lsq s ARG 85 N 1.39 1.62 0.33 0.00 3.52 -0.96 -1.57 118.95 123.28 1lsq s ARG 85 Ca 0.03 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 1lsq s ARG 85 Cb -0.15 -1.39 -0.11 0.00 -1.56 0.00 0.00 34.95 31.74 1lsq s ARG 85 CO -0.05 -0.02 1.50 -2.00 -0.81 0.00 0.00 175.30 173.92 1lsq s GLU 86 N 0.81 4.16 0.54 5.12 2.12 -0.02 -0.56 118.70 130.87 1lsq s GLU 86 Ca -0.12 2.51 -0.01 0.00 0.36 0.00 0.00 54.97 57.71 1lsq s GLU 86 Cb -0.15 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1lsq s GLU 86 CO 0.02 -0.52 0.79 0.95 -0.54 0.00 0.00 175.26 175.97 1lsq s THR 87 N -0.67 3.23 0.23 -1.70 -4.23 -0.57 -4.82 115.64 107.10 1lsq s THR 87 Ca 0.56 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 60.57 1lsq s THR 87 Cb -0.46 -3.24 0.19 0.00 1.34 0.00 0.00 72.50 70.33 1lsq s THR 87 CO 0.55 -0.19 1.74 1.23 -0.54 0.00 0.00 174.62 177.41 1lsq h GLY 88 N 0.05 1.02 -1.19 3.99 0.00 -1.94 -1.66 103.07 103.34 1lsq h GLY 88 Ca -0.44 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1lsq h GLY 88 CO 0.56 -0.05 0.00 -1.14 0.00 0.00 0.00 176.54 175.92 1lsq n SER 89 N -4.98 1.72 -4.77 0.19 3.41 -1.26 -4.89 113.62 103.05 1lsq n SER 89 Ca 0.12 -2.06 -0.39 0.00 -0.26 0.00 0.00 58.87 56.28 1lsq n SER 89 Cb 0.34 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1lsq n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1lsq s SER 90 N -0.89 7.04 -0.24 4.04 0.15 -0.63 -4.96 113.70 118.21 1lsq s SER 90 Ca 0.19 2.22 -0.11 0.00 0.70 0.00 0.00 55.95 58.95 1lsq s SER 90 Cb 0.11 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 1lsq s SER 90 CO 0.12 -0.30 0.56 -0.75 1.20 0.00 0.00 173.24 174.07 1lsq s LYS 91 N -1.84 0.53 0.23 5.44 2.47 -1.09 -4.93 119.74 120.56 1lsq s LYS 91 Ca 0.50 1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 55.75 1lsq s LYS 91 Cb -0.29 0.33 -0.15 0.00 -1.46 0.00 0.00 37.83 36.26 1lsq s LYS 91 CO 0.37 -0.18 1.13 0.98 0.16 0.00 0.00 175.35 177.81 1lsq n TYR 92 N 4.81 1.41 0.39 4.03 9.36 -1.26 -0.47 117.16 135.42 1lsq n TYR 92 Ca -0.16 0.65 0.06 0.00 3.32 0.00 0.00 57.90 61.77 1lsq n TYR 92 Cb 0.54 -2.29 0.20 0.00 -0.63 0.00 0.00 39.34 37.16 1lsq n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1lsq n PRO 93 N 1.35 2.43 -3.02 2.98 -0.04 -1.26 -4.98 135.00 132.44 1lsq n PRO 93 Ca 0.12 -1.64 -0.43 0.00 -0.04 0.00 0.00 63.50 61.52 1lsq n PRO 93 Cb 0.29 -1.54 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 1lsq n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lsq n ASN 94 N 0.62 6.34 -4.73 3.54 3.02 0.38 -5.01 115.26 119.42 1lsq n ASN 94 Ca 0.15 -3.41 -0.42 0.00 -0.03 0.00 0.00 54.58 50.88 1lsq n ASN 94 Cb 0.51 -1.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 1lsq n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lsq s ALA 96 N 0.46 1.01 0.03 0.00 0.00 -1.26 -4.97 121.76 117.02 1lsq s ALA 96 Ca 0.55 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.84 1lsq s ALA 96 Cb -0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1lsq s ALA 96 CO 0.33 0.19 -0.07 0.71 0.00 0.00 0.00 175.76 176.92 1lsq s TYR 97 N -0.70 0.63 -0.01 0.00 2.02 -1.26 -1.51 117.35 116.52 1lsq s TYR 97 Ca 0.01 -0.34 -0.22 0.00 -0.37 0.00 0.00 57.07 56.15 1lsq s TYR 97 Cb -0.07 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.06 1lsq s TYR 97 CO 0.01 -0.05 0.63 0.21 -1.57 0.00 0.00 175.55 174.78 1lsq s LYS 98 N -1.03 4.36 -0.23 -0.62 2.20 0.28 -4.49 119.74 120.21 1lsq s LYS 98 Ca -0.05 0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 56.25 1lsq s LYS 98 Cb -0.07 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 1lsq s LYS 98 CO 0.00 0.31 0.17 0.99 -0.36 0.00 0.00 175.35 176.46 1lsq s THR 99 N -0.03 5.36 -0.10 3.43 2.01 -1.26 -2.26 115.64 122.79 1lsq s THR 99 Ca 0.33 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1lsq s THR 99 Cb -0.18 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.83 1lsq s THR 99 CO 0.18 0.36 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.42 1lsq s THR 100 N 0.96 1.49 0.17 -0.82 2.01 -0.66 -4.99 115.64 113.80 1lsq s THR 100 Ca 0.08 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.20 1lsq s THR 100 Cb -0.13 -1.35 -0.08 0.00 0.01 0.00 0.00 72.50 70.95 1lsq s THR 100 CO 0.04 0.44 0.72 -1.10 -0.69 0.00 0.00 174.62 174.02 1lsq s GLN 101 N 0.84 4.39 0.14 4.92 -0.21 -1.26 -1.37 119.66 127.11 1lsq s GLN 101 Ca -0.10 0.98 -0.11 0.00 0.02 0.00 0.00 55.36 56.15 1lsq s GLN 101 Cb -0.15 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.73 1lsq s GLN 101 CO 0.01 0.53 0.30 0.00 -2.12 0.00 0.00 175.29 174.01 1lsq s ALA 102 N -1.27 -0.31 -0.33 6.09 0.00 -0.25 -4.97 121.76 120.72 1lsq s ALA 102 Ca 0.37 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1lsq s ALA 102 Cb -0.20 0.73 0.11 0.00 0.00 0.00 0.00 23.12 23.76 1lsq s ALA 102 CO 0.23 -0.63 0.14 1.21 0.00 0.00 0.00 175.76 176.71 1lsq s ASN 103 N -2.90 3.80 0.17 0.00 2.47 -1.26 -1.50 114.94 115.71 1lsq s ASN 103 Ca 0.11 -1.80 -0.02 0.00 0.42 0.00 0.00 52.86 51.57 1lsq s ASN 103 Cb 0.03 -0.77 -0.04 0.00 -1.45 0.00 0.00 41.25 39.02 1lsq s ASN 103 CO -0.05 -0.39 0.11 -0.54 -3.72 0.00 0.00 177.10 172.52 1lsq s LYS 104 N 1.44 1.09 0.35 0.43 1.02 -0.74 -4.75 119.74 118.57 1lsq s LYS 104 Ca 0.12 -1.52 -0.26 0.00 0.02 0.00 0.00 55.97 54.33 1lsq s LYS 104 Cb -0.19 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1lsq s LYS 104 CO -0.20 -0.34 1.09 -1.01 -0.92 0.00 0.00 175.35 173.97 1lsq s HIS 105 N -4.10 3.36 0.13 3.18 3.76 -1.26 0.20 115.29 120.56 1lsq s HIS 105 Ca 0.31 1.65 0.04 0.00 -0.15 0.00 0.00 55.06 56.91 1lsq s HIS 105 Cb 0.07 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 1lsq s HIS 105 CO 0.07 -0.72 0.11 0.96 -0.85 0.00 0.00 174.74 174.32 1lsq s ILE 106 N -1.41 4.51 -0.11 0.60 -4.36 -1.26 -1.36 121.20 117.81 1lsq s ILE 106 Ca 0.52 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.98 1lsq s ILE 106 Cb -0.28 -3.25 0.02 0.00 1.25 0.00 0.00 42.46 40.20 1lsq s ILE 106 CO 0.35 -0.01 -0.15 -0.63 0.24 0.00 0.00 174.94 174.74 1lsq s ILE 107 N -1.60 1.47 0.13 8.37 1.01 -0.12 -0.70 121.20 129.76 1lsq s ILE 107 Ca 0.30 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.41 1lsq s ILE 107 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1lsq s ILE 107 CO 0.23 0.44 -0.20 0.68 0.00 0.00 0.00 174.94 176.09 1lsq s VAL 108 N 1.02 1.77 -0.03 2.92 -7.23 -0.79 -0.74 120.40 117.32 1lsq s VAL 108 Ca -0.06 -1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 58.24 1lsq s VAL 108 Cb -0.15 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 1lsq s VAL 108 CO -0.02 -0.18 0.37 0.00 -0.31 0.00 0.00 175.10 174.96 1lsq s ALA 109 N -1.60 3.71 0.20 1.32 0.00 -0.59 -0.66 121.76 124.14 1lsq s ALA 109 Ca 0.11 -0.28 0.11 0.00 0.00 0.00 0.00 51.96 51.89 1lsq s ALA 109 Cb -0.08 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1lsq s ALA 109 CO 0.05 0.46 -0.22 0.00 0.00 0.00 0.00 175.76 176.06 1lsq s GLU 111 N -2.86 1.22 0.33 0.00 2.02 -0.57 -4.90 118.70 113.93 1lsq s GLU 111 Ca 0.21 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1lsq s GLU 111 Cb -0.07 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.72 1lsq s GLU 111 CO 0.10 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.27 1lsq n GLY 112 N -0.29 -2.31 2.59 -1.39 0.00 -1.26 -1.90 105.19 100.62 1lsq n GLY 112 Ca -0.17 -1.80 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 1lsq n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lsq s ASN 113 N -3.13 2.76 0.71 1.61 3.84 -1.26 -2.12 114.94 117.35 1lsq s ASN 113 Ca 0.00 -0.86 -0.15 0.00 0.21 0.00 0.00 52.86 52.06 1lsq s ASN 113 Cb 0.00 -0.26 0.03 0.00 -0.55 0.00 0.00 41.25 40.46 1lsq s ASN 113 CO 0.00 -0.38 1.17 -2.16 -2.79 0.00 0.00 177.10 172.93 1lsq s PRO 114 N 2.13 2.36 -0.67 0.43 0.04 -1.26 -5.09 135.00 132.94 1lsq s PRO 114 Ca 0.05 1.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 1lsq s PRO 114 Cb -0.16 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1lsq s PRO 114 CO -0.20 -1.64 1.26 -0.47 0.04 0.00 0.00 177.00 176.00 1lsq s TYR 115 N -2.14 2.39 0.29 0.56 5.04 -0.90 -4.89 117.35 117.71 1lsq s TYR 115 Ca 0.71 0.17 0.03 0.00 -2.44 0.00 0.00 57.07 55.54 1lsq s TYR 115 Cb -0.26 -4.57 -0.06 0.00 0.35 0.00 0.00 41.96 37.43 1lsq s TYR 115 CO 0.44 -1.89 0.07 0.14 -1.34 0.00 0.00 175.55 172.97 1lsq s VAL 116 N 5.52 0.93 0.10 3.14 -7.23 -0.80 -4.84 120.40 117.22 1lsq s VAL 116 Ca 0.39 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.25 1lsq s VAL 116 Cb -0.08 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.09 1lsq s VAL 116 CO 0.20 -0.03 1.32 -2.84 -0.31 0.00 0.00 175.10 173.44 1lsq s PRO 117 N -3.95 4.36 -0.00 4.82 0.02 -1.26 -1.51 135.00 137.49 1lsq s PRO 117 Ca 0.36 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.36 1lsq s PRO 117 Cb 0.08 -3.28 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1lsq s PRO 117 CO 0.14 -0.36 0.02 1.33 -0.33 0.00 0.00 177.00 177.80 1lsq n VAL 118 N 3.83 0.02 -3.97 3.83 0.24 -0.21 -4.50 118.33 117.56 1lsq n VAL 118 Ca 0.10 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.26 1lsq n VAL 118 Cb 0.44 0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.79 1lsq n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1lsq s HIS 119 N -2.05 0.26 -0.39 6.34 5.65 -1.18 -4.52 115.29 119.39 1lsq s HIS 119 Ca -0.00 -0.32 -0.21 0.00 0.25 0.00 0.00 55.06 54.78 1lsq s HIS 119 Cb 0.01 -0.17 0.01 0.00 -1.18 0.00 0.00 32.58 31.25 1lsq s HIS 119 CO 0.04 -0.10 0.65 0.12 -0.65 0.00 0.00 174.74 174.80 1lsq s PHE 120 N -0.87 3.11 -0.17 3.88 2.19 -1.26 -1.54 117.98 123.31 1lsq s PHE 120 Ca -0.09 0.20 -0.21 0.00 0.33 0.00 0.00 56.93 57.16 1lsq s PHE 120 Cb -0.06 -3.25 -0.22 0.00 -1.31 0.00 0.00 43.02 38.17 1lsq s PHE 120 CO -0.00 -0.74 0.40 0.22 1.83 0.00 0.00 175.22 176.93 1lsq h ASP 121 N 8.64 0.09 -5.86 6.13 3.58 -1.27 -3.49 116.42 124.25 1lsq h ASP 121 Ca -0.26 -0.70 0.36 0.00 0.42 0.00 0.00 57.03 56.85 1lsq h ASP 121 Cb 1.10 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 42.02 1lsq h ASP 121 CO 0.86 1.43 0.91 0.00 -2.88 0.00 0.00 179.24 179.56 1lsq s ALA 122 N -2.36 -2.44 0.04 -0.78 0.00 -0.98 -4.81 121.76 110.42 1lsq s ALA 122 Ca -0.25 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.17 1lsq s ALA 122 Cb 0.04 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 1lsq s ALA 122 CO 0.65 -1.11 -0.08 -1.54 0.00 0.00 0.00 175.76 173.69 1lsq s SER 123 N -3.41 0.86 0.00 0.00 1.04 -1.26 -0.94 113.70 109.99 1lsq s SER 123 Ca 0.22 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1lsq s SER 123 Cb 0.03 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1lsq s SER 123 CO -0.03 -0.19 0.00 0.55 0.98 0.00 0.00 173.24 174.55