#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1b s GLU 2 N 0.00 -0.04 1.00 -1.58 2.12 -1.26 -5.11 118.70 113.83 1u1b s GLU 2 Ca 0.00 0.42 -0.15 0.00 0.36 0.00 0.00 54.97 55.60 1u1b s GLU 2 Cb 0.00 -0.42 0.19 0.00 0.26 0.00 0.00 34.13 34.16 1u1b s GLU 2 CO 0.00 -0.31 1.17 0.95 -0.54 0.00 0.00 175.26 176.53 1u1b s THR 3 N 2.12 1.90 0.26 -1.70 -4.23 -1.26 -4.83 115.64 107.91 1u1b s THR 3 Ca 0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1u1b s THR 3 Cb -0.12 -2.74 0.10 0.00 1.34 0.00 0.00 72.50 71.08 1u1b s THR 3 CO -0.04 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.79 1u1b h ALA 4 N -1.80 1.09 -0.31 3.99 0.00 -1.97 -1.96 119.26 118.30 1u1b h ALA 4 Ca -0.48 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.01 1u1b h ALA 4 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1u1b h ALA 4 CO 0.49 0.57 -0.38 0.00 0.00 0.00 0.00 179.25 179.94 1u1b h ALA 5 N 1.26 0.75 -0.47 0.00 0.00 -1.92 -2.71 119.26 116.18 1u1b h ALA 5 Ca 0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1u1b h ALA 5 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1u1b h ALA 5 CO 0.03 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.78 1u1b h ALA 6 N 0.98 0.85 -0.54 0.00 0.00 -1.85 -2.20 119.26 116.50 1u1b h ALA 6 Ca 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1u1b h ALA 6 Cb 0.91 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1u1b h ALA 6 CO 0.08 0.64 0.27 -0.22 0.00 0.00 0.00 179.25 180.02 1u1b h LYS 7 N 0.79 0.77 -0.81 0.00 3.64 -1.24 -0.61 116.57 119.11 1u1b h LYS 7 Ca 0.12 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1u1b h LYS 7 Cb 0.68 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1u1b h LYS 7 CO 0.05 0.63 0.45 0.35 -2.27 0.00 0.00 179.45 178.66 1u1b h PHE 8 N 0.72 1.10 -0.22 1.91 3.04 -1.30 0.20 116.94 122.40 1u1b h PHE 8 Ca 0.19 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 1u1b h PHE 8 Cb 0.10 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.25 1u1b h PHE 8 CO -0.01 0.76 0.08 0.93 -2.02 0.00 0.00 178.31 178.06 1u1b h GLU 9 N 1.13 0.33 -0.60 1.11 5.08 -0.79 0.78 114.58 121.62 1u1b h GLU 9 Ca 0.29 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1u1b h GLU 9 Cb 0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1u1b h GLU 9 CO -0.05 0.39 0.06 -0.09 -1.00 0.00 0.00 179.01 178.32 1u1b h ARG 10 N 0.19 1.00 0.00 2.33 2.43 -0.60 -1.66 114.38 118.06 1u1b h ARG 10 Ca 0.07 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 58.84 1u1b h ARG 10 Cb 0.19 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1u1b h ARG 10 CO -0.01 0.94 -0.71 1.96 -1.51 0.00 0.00 179.97 180.65 1u1b h GLN 11 N 0.93 0.00 0.00 0.20 4.20 -0.50 -3.42 115.11 116.52 1u1b h GLN 11 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1u1b h GLN 11 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1u1b h GLN 11 CO 0.02 0.53 -0.03 0.72 -0.67 0.00 0.00 178.83 179.40 1u1b n HIS 12 N -3.19 0.00 -3.63 2.96 8.25 0.26 -4.77 115.22 115.09 1u1b n HIS 12 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1u1b n HIS 12 Cb 0.78 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.80 1u1b n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1u1b s MET 13 N -0.47 4.14 -0.42 -0.41 -1.94 -0.63 0.42 119.30 120.00 1u1b s MET 13 Ca 0.00 -0.15 0.04 0.00 -1.71 0.00 0.00 55.69 53.87 1u1b s MET 13 Cb 0.00 -3.49 0.17 0.00 2.01 0.00 0.00 34.83 33.52 1u1b s MET 13 CO 0.00 0.14 0.38 0.34 -0.01 0.00 0.00 175.02 175.87 1u1b s ASP 14 N 0.78 1.16 0.34 3.03 2.15 -0.66 -4.83 116.67 118.63 1u1b s ASP 14 Ca 0.10 -2.74 0.26 0.00 0.43 0.00 0.00 52.55 50.60 1u1b s ASP 14 Cb -0.13 -0.07 0.85 0.00 -0.30 0.00 0.00 42.92 43.27 1u1b s ASP 14 CO 0.03 -0.17 1.76 0.28 -0.17 0.00 0.00 175.17 176.90 1u1b h SER 15 N 5.75 0.00 -0.69 -0.34 0.02 -1.76 -3.34 113.55 113.20 1u1b h SER 15 Ca 0.21 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.25 1u1b h SER 15 Cb 0.95 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.42 1u1b h SER 15 CO 0.30 0.00 0.35 0.28 -1.14 0.00 0.00 176.83 176.62 1u1b h SER 16 N 0.00 0.46 -3.18 3.07 0.02 -1.93 -3.43 113.55 108.56 1u1b h SER 16 Ca 0.00 0.05 -0.63 0.00 -0.84 0.00 0.00 61.79 60.37 1u1b h SER 16 Cb 0.66 -0.03 -0.12 0.00 0.14 0.00 0.00 62.40 63.06 1u1b h SER 16 CO 0.00 0.27 -0.67 0.42 -1.14 0.00 0.00 176.83 175.72 1u1b s THR 17 N -6.07 3.85 -1.41 -2.27 -4.23 -1.25 -4.99 115.64 99.27 1u1b s THR 17 Ca -0.13 -1.18 0.29 0.00 -1.18 0.00 0.00 61.69 59.49 1u1b s THR 17 Cb 0.17 -2.87 0.38 0.00 1.34 0.00 0.00 72.50 71.52 1u1b s THR 17 CO 0.76 0.03 1.87 -1.54 -0.54 0.00 0.00 174.62 175.19 1u1b n SER 18 N 0.30 0.28 -3.60 3.99 3.41 -1.26 -4.70 113.62 112.04 1u1b n SER 18 Ca -0.11 -0.24 -0.03 0.00 -0.26 0.00 0.00 58.87 58.23 1u1b n SER 18 Cb 0.53 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1u1b n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1b s ALA 19 N -2.65 -2.10 0.20 7.33 0.00 -1.26 -4.91 121.76 118.37 1u1b s ALA 19 Ca 0.24 1.35 -0.33 0.00 0.00 0.00 0.00 51.96 53.23 1u1b s ALA 19 Cb 0.20 0.02 -0.14 0.00 0.00 0.00 0.00 23.12 23.20 1u1b s ALA 19 CO 0.51 -0.71 1.44 0.00 0.00 0.00 0.00 175.76 177.00 1u1b n ALA 20 N -0.20 0.93 -1.00 0.00 0.00 -1.26 -4.97 120.51 114.01 1u1b n ALA 20 Ca -0.02 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1u1b n ALA 20 Cb 0.59 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1u1b n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1u1b n SER 21 N 2.60 0.00 -4.70 0.00 7.64 -1.26 -4.97 113.62 112.93 1u1b n SER 21 Ca 0.14 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.76 1u1b n SER 21 Cb 0.29 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.59 1u1b n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1u1b s SER 22 N -1.55 4.36 0.34 6.43 1.04 -1.26 -4.93 113.70 118.13 1u1b s SER 22 Ca 0.00 0.21 0.26 0.00 0.48 0.00 0.00 55.95 56.89 1u1b s SER 22 Cb 0.00 -0.68 1.18 0.00 0.10 0.00 0.00 66.02 66.63 1u1b s SER 22 CO 0.00 -1.88 1.77 0.77 0.98 0.00 0.00 173.24 174.88 1u1b h SER 23 N -0.78 0.00 -0.09 7.02 4.64 -1.98 -0.55 113.55 121.82 1u1b h SER 23 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1u1b h SER 23 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1u1b h SER 23 CO 0.51 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.27 1u1b n ASN 24 N -2.40 1.82 -0.14 4.97 4.05 -1.26 -4.51 115.26 117.79 1u1b n ASN 24 Ca 0.01 -1.65 -0.13 0.00 0.45 0.00 0.00 54.58 53.26 1u1b n ASN 24 Cb 0.17 -0.05 -0.10 0.00 1.23 0.00 0.00 39.78 41.04 1u1b n ASN 24 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1u1b h TYR 25 N 2.68 -1.64 -0.34 1.20 3.20 -1.45 -1.72 116.97 118.90 1u1b h TYR 25 Ca 0.00 0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.99 1u1b h TYR 25 Cb 0.58 0.77 -0.04 0.00 1.54 0.00 0.00 36.73 39.58 1u1b h TYR 25 CO 0.05 -0.47 0.12 0.00 -1.64 0.00 0.00 178.16 176.22 1u1b h ASN 27 N 0.27 0.53 -0.07 0.00 2.35 -1.73 0.17 115.58 117.09 1u1b h ASN 27 Ca 0.15 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.84 1u1b h ASN 27 Cb 0.12 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1u1b h ASN 27 CO -0.15 0.28 -0.46 1.56 -1.65 0.00 0.00 177.43 177.01 1u1b h GLN 28 N 0.65 0.44 -0.31 0.81 4.20 -0.81 -3.15 115.11 116.95 1u1b h GLN 28 Ca 0.40 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1u1b h GLN 28 Cb 0.46 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1u1b h GLN 28 CO -0.30 1.02 -0.06 0.52 -0.67 0.00 0.00 178.83 179.34 1u1b h MET 29 N -0.01 0.58 -0.39 1.46 2.86 -0.33 -0.27 114.93 118.83 1u1b h MET 29 Ca -0.04 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1u1b h MET 29 Cb 1.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1u1b h MET 29 CO 0.09 0.76 0.26 0.52 1.06 0.00 0.00 176.91 179.61 1u1b h MET 30 N 0.36 0.35 0.05 1.72 2.86 -0.80 -1.34 114.93 118.14 1u1b h MET 30 Ca 0.08 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1u1b h MET 30 Cb 0.54 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1u1b h MET 30 CO 0.03 0.23 -0.02 -0.22 1.06 0.00 0.00 176.91 177.99 1u1b h LYS 31 N 0.36 -0.07 -0.02 1.72 3.64 -1.45 -0.32 116.57 120.44 1u1b h LYS 31 Ca 0.16 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1u1b h LYS 31 Cb 0.20 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1u1b h LYS 31 CO -0.04 0.56 -0.25 0.66 -2.27 0.00 0.00 179.45 178.11 1u1b h SER 32 N -0.85 0.04 -0.24 4.20 4.64 -0.86 -2.39 113.55 118.09 1u1b h SER 32 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1u1b h SER 32 Cb 0.66 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1u1b h SER 32 CO 0.01 0.29 0.00 0.54 -0.87 0.00 0.00 176.83 176.80 1u1b n ARG 33 N -4.23 1.69 -3.57 4.77 5.12 -0.52 -4.90 116.66 115.01 1u1b n ARG 33 Ca -0.02 -0.91 -0.23 0.00 -1.93 0.00 0.00 57.85 54.77 1u1b n ARG 33 Cb 0.31 -1.29 0.08 0.00 -1.16 0.00 0.00 32.46 30.40 1u1b n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1u1b n ASN 34 N 0.21 -5.22 -1.33 0.55 3.02 -0.90 -4.83 115.26 106.75 1u1b n ASN 34 Ca 0.08 -0.57 0.10 0.00 -0.03 0.00 0.00 54.58 54.16 1u1b n ASN 34 Cb 0.27 -5.00 0.31 0.00 -0.61 0.00 0.00 39.78 34.75 1u1b n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1u1b n LEU 35 N -4.78 4.18 -0.59 3.41 4.77 -0.13 -4.37 117.00 119.49 1u1b n LEU 35 Ca -0.06 -2.25 0.01 0.00 -0.03 0.00 0.00 56.01 53.67 1u1b n LEU 35 Cb 0.59 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1u1b n LEU 35 CO 0.65 0.86 0.24 0.35 -1.33 0.00 0.00 177.39 178.15 1u1b n THR 36 N 1.14 0.05 0.05 -5.08 -2.24 -1.24 -3.70 114.28 103.26 1u1b n THR 36 Ca 0.23 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1u1b n THR 36 Cb 0.73 0.53 -0.08 0.00 -2.10 0.00 0.00 70.33 69.41 1u1b n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1u1b h LYS 37 N 0.10 -0.09 0.00 -0.78 1.79 -1.91 -3.36 116.57 112.32 1u1b h LYS 37 Ca -0.02 0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 58.20 1u1b h LYS 37 Cb 1.44 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 32.07 1u1b h LYS 37 CO 0.01 0.16 -2.03 -0.40 -1.08 0.00 0.00 179.45 176.11 1u1b n ASP 38 N -5.02 0.28 -3.44 0.86 3.85 -1.26 -5.03 116.55 106.80 1u1b n ASP 38 Ca -0.08 0.13 -0.05 0.00 -0.71 0.00 0.00 54.79 54.08 1u1b n ASP 38 Cb 0.17 0.89 0.01 0.00 -1.35 0.00 0.00 41.12 40.83 1u1b n ASP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1u1b s ARG 39 N -2.79 1.55 -0.30 0.11 1.70 -1.26 -5.09 118.95 112.87 1u1b s ARG 39 Ca -0.08 -0.95 -0.18 0.00 -0.47 0.00 0.00 55.73 54.06 1u1b s ARG 39 Cb 0.08 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.91 1u1b s ARG 39 CO 0.84 -0.72 0.50 0.00 -1.08 0.00 0.00 175.30 174.85 1u1b s LYS 41 N 2.34 4.26 0.24 0.00 2.20 -1.24 -4.88 119.74 122.67 1u1b s LYS 41 Ca 0.20 2.12 -0.05 0.00 -0.36 0.00 0.00 55.97 57.88 1u1b s LYS 41 Cb -0.15 -3.47 0.34 0.00 -1.51 0.00 0.00 37.83 33.04 1u1b s LYS 41 CO 0.11 -0.59 1.84 -1.35 -0.36 0.00 0.00 175.35 175.01 1u1b h PRO 42 N 7.64 0.91 -2.89 4.03 0.11 -1.95 -3.44 132.00 136.41 1u1b h PRO 42 Ca -0.41 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1u1b h PRO 42 Cb 1.19 -0.21 -0.25 0.00 0.11 0.00 0.00 31.00 31.85 1u1b h PRO 42 CO 0.90 0.60 -0.31 0.54 -0.21 0.00 0.00 178.00 179.53 1u1b s VAL 43 N -6.06 -0.00 -0.11 3.15 0.11 -1.26 -2.33 120.40 113.90 1u1b s VAL 43 Ca -0.13 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.85 1u1b s VAL 43 Cb 0.18 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1u1b s VAL 43 CO 0.79 0.00 0.29 0.21 -3.33 0.00 0.00 175.10 173.05 1u1b s ASN 44 N 0.19 -0.31 -0.10 3.54 2.47 -0.60 -4.99 114.94 115.13 1u1b s ASN 44 Ca -0.00 0.60 -0.02 0.00 0.42 0.00 0.00 52.86 53.86 1u1b s ASN 44 Cb -0.02 0.54 -0.03 0.00 -1.45 0.00 0.00 41.25 40.28 1u1b s ASN 44 CO 0.00 -0.14 -0.03 -0.89 -3.72 0.00 0.00 177.10 172.33 1u1b s THR 45 N 0.75 4.05 -0.09 -5.21 2.01 -1.26 -0.43 115.64 115.46 1u1b s THR 45 Ca -0.05 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1u1b s THR 45 Cb -0.06 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1u1b s THR 45 CO -0.05 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.98 1u1b s PHE 46 N -0.48 2.82 -0.21 4.92 0.08 -0.08 -4.46 117.98 120.57 1u1b s PHE 46 Ca 0.08 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.73 1u1b s PHE 46 Cb -0.12 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1u1b s PHE 46 CO 0.02 0.05 0.08 0.08 -0.10 0.00 0.00 175.22 175.35 1u1b s VAL 47 N -0.24 4.75 -0.98 -0.44 1.01 0.17 -0.41 120.40 124.26 1u1b s VAL 47 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1u1b s VAL 47 Cb -0.13 -3.18 0.32 0.00 0.00 0.00 0.00 36.38 33.38 1u1b s VAL 47 CO 0.03 0.40 1.61 1.41 0.00 0.00 0.00 175.10 178.54 1u1b n HIS 48 N 4.13 2.80 -4.16 5.22 -0.00 0.87 -1.65 115.22 122.42 1u1b n HIS 48 Ca -0.16 -2.78 -0.11 0.00 -0.00 0.00 0.00 57.72 54.68 1u1b n HIS 48 Cb 0.52 -1.11 -0.10 0.00 -0.00 0.00 0.00 29.99 29.30 1u1b n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1u1b s GLU 49 N -3.78 1.04 0.64 -0.41 0.41 -1.26 -4.59 118.70 110.75 1u1b s GLU 49 Ca 0.38 -1.50 -0.15 0.00 -0.41 0.00 0.00 54.97 53.29 1u1b s GLU 49 Cb 0.16 0.26 -0.01 0.00 -1.78 0.00 0.00 34.13 32.76 1u1b s GLU 49 CO -0.06 -0.32 1.10 -1.54 -0.49 0.00 0.00 175.26 173.95 1u1b s SER 50 N -3.09 5.27 0.31 -0.19 1.04 -1.26 -4.34 113.70 111.45 1u1b s SER 50 Ca 0.29 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.67 1u1b s SER 50 Cb 0.07 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 64.14 1u1b s SER 50 CO 0.06 -1.52 1.97 0.25 0.98 0.00 0.00 173.24 174.97 1u1b h LEU 51 N 0.11 0.90 -0.88 2.42 5.85 -1.99 -2.22 115.31 119.50 1u1b h LEU 51 Ca -0.47 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 1u1b h LEU 51 Cb 1.24 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1u1b h LEU 51 CO 0.55 0.64 0.41 0.00 -0.34 0.00 0.00 178.44 179.70 1u1b h ALA 52 N 1.51 1.12 -0.02 1.25 0.00 -1.99 0.83 119.26 121.96 1u1b h ALA 52 Ca 0.31 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1u1b h ALA 52 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1u1b h ALA 52 CO -0.08 0.66 -0.37 -0.44 0.00 0.00 0.00 179.25 179.03 1u1b h ASP 53 N 1.21 0.04 0.18 0.00 3.32 -1.78 -1.04 116.42 118.35 1u1b h ASP 53 Ca 0.29 -0.01 -0.27 0.00 0.02 0.00 0.00 57.03 57.06 1u1b h ASP 53 Cb 0.11 -0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.68 1u1b h ASP 53 CO -0.04 0.41 -1.18 0.58 -1.72 0.00 0.00 179.24 177.30 1u1b h VAL 54 N 0.04 1.37 -0.48 -1.35 2.07 -1.04 -3.25 116.25 113.60 1u1b h VAL 54 Ca 0.00 -2.57 -0.01 0.00 0.82 0.00 0.00 66.70 64.94 1u1b h VAL 54 Cb 0.67 3.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1u1b h VAL 54 CO 0.05 0.76 0.26 1.56 0.02 0.00 0.00 177.57 180.22 1u1b h GLN 55 N -0.02 0.66 0.00 1.57 4.20 -0.71 -1.44 115.11 119.38 1u1b h GLN 55 Ca -0.20 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1u1b h GLN 55 Cb 1.91 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.56 1u1b h GLN 55 CO 0.22 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.88 1u1b h ALA 56 N 1.62 1.00 0.00 3.87 0.00 -1.22 -1.96 119.26 122.56 1u1b h ALA 56 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1u1b h ALA 56 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1u1b h ALA 56 CO -0.03 0.00 -0.14 0.28 0.00 0.00 0.00 179.25 179.36 1u1b h VAL 57 N 0.00 0.81 0.00 0.00 2.07 -1.34 -2.01 116.25 115.79 1u1b h VAL 57 Ca 0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1u1b h VAL 57 Cb 0.05 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1u1b h VAL 57 CO 0.00 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1u1b n SER 59 N -1.73 3.34 0.00 0.00 3.41 -0.75 -5.00 113.62 112.88 1u1b n SER 59 Ca 0.01 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 1u1b n SER 59 Cb 0.10 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1u1b n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1b n GLN 60 N -0.57 3.69 -1.71 4.33 6.02 -0.27 -5.01 117.38 123.85 1u1b n GLN 60 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 1u1b n GLN 60 Cb 0.75 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.98 1u1b n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1u1b s LYS 61 N 3.95 3.45 0.10 -1.09 2.20 -1.09 -4.82 119.74 122.44 1u1b s LYS 61 Ca 0.00 2.07 -0.30 0.00 -0.36 0.00 0.00 55.97 57.38 1u1b s LYS 61 Cb 0.00 -4.28 -0.06 0.00 -1.51 0.00 0.00 37.83 31.98 1u1b s LYS 61 CO 0.00 -1.74 1.13 1.21 -0.36 0.00 0.00 175.35 175.59 1u1b s ASN 62 N 6.80 7.20 0.22 1.43 3.04 -1.26 0.22 114.94 132.60 1u1b s ASN 62 Ca 0.93 2.00 -0.07 0.00 0.04 0.00 0.00 52.86 55.76 1u1b s ASN 62 Cb -0.33 -2.59 -0.02 0.00 -1.54 0.00 0.00 41.25 36.77 1u1b s ASN 62 CO 0.36 -0.33 0.31 0.68 -3.04 0.00 0.00 177.10 175.08 1u1b s VAL 63 N 0.49 0.00 0.23 -5.21 -7.23 -0.31 -4.90 120.40 103.47 1u1b s VAL 63 Ca 0.54 -1.69 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1u1b s VAL 63 Cb -0.28 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 1u1b s VAL 63 CO 0.31 -0.01 0.96 0.00 -0.31 0.00 0.00 175.10 176.06 1u1b s ALA 64 N -4.08 3.34 0.68 1.32 0.00 -1.26 -3.47 121.76 118.28 1u1b s ALA 64 Ca 0.30 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 1u1b s ALA 64 Cb 0.03 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1u1b s ALA 64 CO 0.10 0.14 1.05 0.00 0.00 0.00 0.00 175.76 177.05 1u1b h LYS 66 N -0.60 0.00 -0.30 0.00 1.79 -1.91 -1.00 116.57 114.56 1u1b h LYS 66 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1u1b h LYS 66 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1u1b h LYS 66 CO 0.59 0.01 0.00 0.27 -1.08 0.00 0.00 179.45 179.23 1u1b n ASN 67 N -4.16 1.82 0.00 0.86 6.94 -1.26 -4.91 115.26 114.56 1u1b n ASN 67 Ca -0.03 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.62 1u1b n ASN 67 Cb 0.09 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1u1b n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u1b n GLY 68 N 1.08 2.77 3.70 4.83 0.00 -0.38 -5.04 105.19 112.16 1u1b n GLY 68 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1u1b n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u1b s GLN 69 N -0.51 1.15 -0.17 1.61 -0.21 -1.26 -4.70 119.66 115.56 1u1b s GLN 69 Ca 0.00 0.88 0.15 0.00 0.02 0.00 0.00 55.36 56.41 1u1b s GLN 69 Cb 0.00 -1.79 0.38 0.00 1.00 0.00 0.00 33.01 32.60 1u1b s GLN 69 CO 0.00 -2.33 1.24 0.25 -2.12 0.00 0.00 175.29 172.33 1u1b n THR 70 N -3.95 2.10 -1.31 -0.19 -2.24 -1.26 -0.40 114.28 107.02 1u1b n THR 70 Ca 0.07 -2.53 -0.26 0.00 -2.27 0.00 0.00 64.05 59.06 1u1b n THR 70 Cb 0.55 -0.25 0.14 0.00 -2.10 0.00 0.00 70.33 68.67 1u1b n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1u1b n ASN 71 N -1.20 4.95 -4.81 3.42 6.94 -1.26 -4.75 115.26 118.55 1u1b n ASN 71 Ca 0.19 -3.69 -0.31 0.00 -0.02 0.00 0.00 54.58 50.75 1u1b n ASN 71 Cb 0.73 -0.85 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 1u1b n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u1b s TYR 73 N -1.38 0.36 -0.11 0.00 1.51 0.80 -1.16 117.35 117.37 1u1b s TYR 73 Ca 0.29 -0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.25 1u1b s TYR 73 Cb -0.12 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1u1b s TYR 73 CO 0.22 -0.03 0.06 -1.14 -1.11 0.00 0.00 175.55 173.55 1u1b s GLN 74 N 0.07 3.29 0.20 -0.62 0.74 0.13 -1.38 119.66 122.09 1u1b s GLN 74 Ca -0.00 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 54.80 1u1b s GLN 74 Cb -0.03 -2.99 -0.08 0.00 1.10 0.00 0.00 33.01 31.01 1u1b s GLN 74 CO -0.00 0.66 1.13 -1.54 -0.55 0.00 0.00 175.29 174.98 1u1b s SER 75 N -0.72 7.22 0.20 6.67 1.04 -0.15 -2.67 113.70 125.29 1u1b s SER 75 Ca 0.12 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.64 1u1b s SER 75 Cb -0.12 -2.61 0.13 0.00 0.10 0.00 0.00 66.02 63.52 1u1b s SER 75 CO 0.03 -0.25 1.70 1.88 0.98 0.00 0.00 173.24 177.58 1u1b h TYR 76 N 4.87 1.17 -1.63 5.02 0.05 -1.96 -3.43 116.97 121.06 1u1b h TYR 76 Ca -0.45 -0.16 -0.43 0.00 0.05 0.00 0.00 58.73 57.74 1u1b h TYR 76 Cb 1.21 -0.32 0.01 0.00 1.01 0.00 0.00 36.73 38.64 1u1b h TYR 76 CO 0.62 0.97 -0.31 -1.54 -1.05 0.00 0.00 178.16 176.85 1u1b s SER 77 N -6.50 5.80 0.29 3.88 1.04 -1.26 -5.04 113.70 111.91 1u1b s SER 77 Ca -0.12 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 55.83 1u1b s SER 77 Cb 0.15 -0.96 -0.09 0.00 0.10 0.00 0.00 66.02 65.22 1u1b s SER 77 CO 0.85 -0.58 0.75 0.42 0.98 0.00 0.00 173.24 175.66 1u1b s THR 78 N -2.26 4.60 0.25 2.02 -4.23 -1.26 -4.49 115.64 110.28 1u1b s THR 78 Ca 0.49 1.13 0.10 0.00 -1.18 0.00 0.00 61.69 62.23 1u1b s THR 78 Cb -0.10 -3.72 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 1u1b s THR 78 CO 0.32 -0.04 -0.15 -0.04 -0.54 0.00 0.00 174.62 174.17 1u1b s MET 79 N -2.59 1.54 -0.17 3.99 -1.94 0.75 -4.84 119.30 116.04 1u1b s MET 79 Ca 0.50 -1.71 -0.25 0.00 -1.71 0.00 0.00 55.69 52.52 1u1b s MET 79 Cb -0.13 -1.44 -0.02 0.00 2.01 0.00 0.00 34.83 35.26 1u1b s MET 79 CO 0.19 0.23 0.81 0.45 -0.01 0.00 0.00 175.02 176.68 1u1b s SER 80 N -3.43 6.92 0.16 3.03 0.15 -1.26 -1.84 113.70 117.43 1u1b s SER 80 Ca 0.27 1.13 -0.00 0.00 0.70 0.00 0.00 55.95 58.05 1u1b s SER 80 Cb -0.02 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1u1b s SER 80 CO 0.11 -0.39 0.07 0.27 1.20 0.00 0.00 173.24 174.51 1u1b s ILE 81 N 2.13 0.19 -0.11 6.45 -4.36 -0.59 -0.09 121.20 124.82 1u1b s ILE 81 Ca 0.37 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1u1b s ILE 81 Cb -0.16 -2.21 0.03 0.00 1.25 0.00 0.00 42.46 41.37 1u1b s ILE 81 CO 0.12 -0.32 -0.02 -0.89 0.24 0.00 0.00 174.94 174.07 1u1b s THR 82 N -4.00 0.68 -0.17 8.37 2.01 0.45 -1.68 115.64 121.30 1u1b s THR 82 Ca 0.29 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.91 1u1b s THR 82 Cb 0.07 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.69 1u1b s THR 82 CO 0.05 0.21 0.47 -1.81 -0.69 0.00 0.00 174.62 172.85 1u1b s ASP 83 N 1.83 6.58 -0.32 3.53 1.01 -0.29 -0.90 116.67 128.13 1u1b s ASP 83 Ca 0.04 0.70 -0.09 0.00 0.71 0.00 0.00 52.55 53.90 1u1b s ASP 83 Cb -0.13 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1u1b s ASP 83 CO -0.07 -0.08 0.13 0.00 0.21 0.00 0.00 175.17 175.37 1u1b s ARG 85 N 1.55 2.30 0.60 0.00 0.52 -1.02 -1.56 118.95 121.35 1u1b s ARG 85 Ca 0.03 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 54.35 1u1b s ARG 85 Cb -0.18 -1.86 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 1u1b s ARG 85 CO 0.05 0.20 0.91 0.39 0.02 0.00 0.00 175.30 176.87 1u1b n GLU 86 N 3.38 0.85 -2.61 3.54 1.02 -0.99 -0.20 120.64 125.64 1u1b n GLU 86 Ca -0.19 0.33 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 1u1b n GLU 86 Cb 0.52 -2.11 0.04 0.00 -0.02 0.00 0.00 31.44 29.87 1u1b n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1u1b s THR 87 N -1.54 3.00 0.41 2.62 -4.23 -1.06 -4.71 115.64 110.13 1u1b s THR 87 Ca 0.75 -0.48 0.33 0.00 -1.18 0.00 0.00 61.69 61.10 1u1b s THR 87 Cb -0.42 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.61 1u1b s THR 87 CO 0.48 -0.13 2.13 1.23 -0.54 0.00 0.00 174.62 177.79 1u1b h GLY 88 N -0.00 0.00 -2.32 3.99 0.00 -1.94 -2.56 103.07 100.23 1u1b h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1u1b h GLY 88 CO 0.56 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.96 1u1b n SER 89 N -3.41 3.49 -4.74 0.19 3.41 -1.26 -4.95 113.62 106.35 1u1b n SER 89 Ca -0.02 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.19 1u1b n SER 89 Cb 0.21 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1u1b n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1u1b s SER 90 N -1.46 6.89 -0.30 4.04 0.15 -0.97 -4.96 113.70 117.09 1u1b s SER 90 Ca 0.39 2.43 -0.07 0.00 0.70 0.00 0.00 55.95 59.39 1u1b s SER 90 Cb 0.23 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 62.07 1u1b s SER 90 CO 0.32 -0.52 0.63 -0.75 1.20 0.00 0.00 173.24 174.11 1u1b s LYS 91 N -0.26 0.58 0.23 5.44 2.20 -1.17 -4.94 119.74 121.82 1u1b s LYS 91 Ca 0.56 1.31 -0.28 0.00 -0.36 0.00 0.00 55.97 57.21 1u1b s LYS 91 Cb -0.37 0.77 -0.16 0.00 -1.51 0.00 0.00 37.83 36.56 1u1b s LYS 91 CO 0.39 -0.33 0.60 0.98 -0.36 0.00 0.00 175.35 176.63 1u1b n TYR 92 N 5.44 -0.20 1.64 4.03 9.36 -1.26 -1.18 117.16 135.00 1u1b n TYR 92 Ca -0.08 0.89 0.15 0.00 3.32 0.00 0.00 57.90 62.17 1u1b n TYR 92 Cb 0.50 -2.01 0.67 0.00 -0.63 0.00 0.00 39.34 37.87 1u1b n TYR 92 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1u1b n PRO 93 N 0.94 1.27 -2.40 2.98 -0.02 -1.26 -4.95 135.00 131.57 1u1b n PRO 93 Ca 0.16 -0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 60.69 1u1b n PRO 93 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1u1b n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1u1b n ASN 94 N -0.41 5.68 -4.76 2.55 3.02 -0.33 -4.99 115.26 116.02 1u1b n ASN 94 Ca 0.20 -3.17 -0.41 0.00 -0.03 0.00 0.00 54.58 51.17 1u1b n ASN 94 Cb 0.26 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 37.98 1u1b n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1b s ALA 96 N -0.68 0.51 0.06 0.00 0.00 -1.26 -4.96 121.76 115.43 1u1b s ALA 96 Ca 0.51 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.98 1u1b s ALA 96 Cb -0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1u1b s ALA 96 CO 0.45 0.04 -0.09 0.71 0.00 0.00 0.00 175.76 176.87 1u1b s TYR 97 N -0.79 0.83 -0.10 0.00 2.02 -1.26 -2.57 117.35 115.48 1u1b s TYR 97 Ca -0.04 -0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 55.99 1u1b s TYR 97 Cb -0.06 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 1u1b s TYR 97 CO 0.00 -0.05 0.30 0.21 -1.57 0.00 0.00 175.55 174.44 1u1b s LYS 98 N -1.91 3.97 -0.24 -0.62 2.47 0.73 -4.63 119.74 119.49 1u1b s LYS 98 Ca -0.05 0.16 -0.10 0.00 -1.56 0.00 0.00 55.97 54.42 1u1b s LYS 98 Cb -0.08 -3.31 -0.05 0.00 -1.46 0.00 0.00 37.83 32.93 1u1b s LYS 98 CO 0.00 0.50 0.15 0.99 0.16 0.00 0.00 175.35 177.16 1u1b s THR 99 N -0.36 5.25 -0.16 3.43 2.01 -1.26 -2.42 115.64 122.12 1u1b s THR 99 Ca 0.19 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1u1b s THR 99 Cb -0.14 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 68.95 1u1b s THR 99 CO 0.07 0.34 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.35 1u1b s THR 100 N 1.17 1.35 0.27 -0.82 2.01 -0.88 -5.01 115.64 113.73 1u1b s THR 100 Ca 0.07 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 1u1b s THR 100 Cb -0.14 -1.38 -0.09 0.00 0.01 0.00 0.00 72.50 70.90 1u1b s THR 100 CO 0.05 0.29 0.75 -1.10 -0.69 0.00 0.00 174.62 173.92 1u1b s GLN 101 N 1.55 4.17 0.20 4.92 -0.21 -1.26 -1.13 119.66 127.90 1u1b s GLN 101 Ca 0.02 0.83 -0.23 0.00 0.02 0.00 0.00 55.36 56.00 1u1b s GLN 101 Cb -0.14 -2.67 0.05 0.00 1.00 0.00 0.00 33.01 31.25 1u1b s GLN 101 CO -0.09 0.28 0.67 0.00 -2.12 0.00 0.00 175.29 174.03 1u1b s ALA 102 N -1.73 -1.47 -0.29 6.09 0.00 -0.68 -4.96 121.76 118.72 1u1b s ALA 102 Ca 0.48 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1u1b s ALA 102 Cb -0.14 0.85 0.09 0.00 0.00 0.00 0.00 23.12 23.92 1u1b s ALA 102 CO 0.19 -0.88 0.05 -0.80 0.00 0.00 0.00 175.76 174.33 1u1b s ASN 103 N -2.81 4.00 0.23 0.00 0.01 -1.26 -1.54 114.94 113.57 1u1b s ASN 103 Ca 0.05 -1.55 -0.08 0.00 -0.71 0.00 0.00 52.86 50.57 1u1b s ASN 103 Cb -0.03 -1.02 -0.02 0.00 0.41 0.00 0.00 41.25 40.59 1u1b s ASN 103 CO -0.05 -0.36 0.35 -0.54 -1.51 0.00 0.00 177.10 174.99 1u1b s LYS 104 N 1.48 1.43 0.37 -0.60 1.02 -0.77 -4.80 119.74 117.88 1u1b s LYS 104 Ca 0.06 -1.40 -0.26 0.00 0.02 0.00 0.00 55.97 54.39 1u1b s LYS 104 Cb -0.18 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.44 1u1b s LYS 104 CO -0.17 -0.56 1.09 -1.01 -0.92 0.00 0.00 175.35 173.78 1u1b s HIS 105 N -4.04 3.30 0.13 3.18 3.76 0.13 -0.18 115.29 121.56 1u1b s HIS 105 Ca 0.29 1.64 0.08 0.00 -0.15 0.00 0.00 55.06 56.91 1u1b s HIS 105 Cb 0.02 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1u1b s HIS 105 CO 0.10 -0.76 -0.09 0.96 -0.85 0.00 0.00 174.74 174.10 1u1b s ILE 106 N -1.48 3.33 -0.13 0.60 -4.36 -1.26 -0.33 121.20 117.57 1u1b s ILE 106 Ca 0.54 -1.38 -0.00 0.00 -0.26 0.00 0.00 60.65 59.55 1u1b s ILE 106 Cb -0.26 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 40.88 1u1b s ILE 106 CO 0.33 0.04 -0.10 -0.63 0.24 0.00 0.00 174.94 174.83 1u1b s ILE 107 N -1.37 1.21 0.18 8.37 1.01 0.25 -0.97 121.20 129.89 1u1b s ILE 107 Ca 0.23 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.52 1u1b s ILE 107 Cb -0.10 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1u1b s ILE 107 CO 0.14 0.38 -0.15 0.68 0.00 0.00 0.00 174.94 175.99 1u1b s VAL 108 N 1.63 1.70 -0.10 2.92 -7.23 -0.48 -0.23 120.40 118.61 1u1b s VAL 108 Ca 0.05 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1u1b s VAL 108 Cb -0.13 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1u1b s VAL 108 CO -0.09 -0.51 0.22 0.00 -0.31 0.00 0.00 175.10 174.41 1u1b s ALA 109 N -2.66 3.80 0.14 1.32 0.00 -0.04 -0.14 121.76 124.17 1u1b s ALA 109 Ca 0.19 -0.53 0.10 0.00 0.00 0.00 0.00 51.96 51.73 1u1b s ALA 109 Cb -0.02 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1u1b s ALA 109 CO 0.06 0.51 -0.22 0.00 0.00 0.00 0.00 175.76 176.11 1u1b s GLU 111 N -2.26 1.26 0.00 0.00 2.12 -0.20 -4.89 118.70 114.73 1u1b s GLU 111 Ca 0.17 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 54.92 1u1b s GLU 111 Cb -0.10 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1u1b s GLU 111 CO 0.09 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 1u1b n GLY 112 N -0.38 0.30 2.73 -1.50 0.00 -1.26 -2.06 105.19 103.01 1u1b n GLY 112 Ca -0.10 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.72 1u1b n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u1b s ASN 113 N -0.39 1.91 0.35 1.61 2.47 -1.26 -2.67 114.94 116.96 1u1b s ASN 113 Ca 0.00 -0.91 -0.27 0.00 0.42 0.00 0.00 52.86 52.10 1u1b s ASN 113 Cb 0.00 0.38 -0.12 0.00 -1.45 0.00 0.00 41.25 40.06 1u1b s ASN 113 CO 0.00 -0.39 1.09 -2.65 -3.72 0.00 0.00 177.10 171.44 1u1b n PRO 114 N 5.21 1.58 -2.28 0.43 -0.02 -1.26 -5.10 135.00 133.57 1u1b n PRO 114 Ca -0.01 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 1u1b n PRO 114 Cb 0.45 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1u1b n PRO 114 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1u1b s TYR 115 N -1.14 1.97 0.34 6.00 5.04 -1.09 -4.86 117.35 123.60 1u1b s TYR 115 Ca 0.59 0.35 0.06 0.00 -2.44 0.00 0.00 57.07 55.63 1u1b s TYR 115 Cb -0.61 -4.34 -0.07 0.00 0.35 0.00 0.00 41.96 37.29 1u1b s TYR 115 CO 0.60 -2.16 -0.01 0.14 -1.34 0.00 0.00 175.55 172.77 1u1b s VAL 116 N 7.55 1.70 0.17 3.14 -7.23 -0.87 -4.82 120.40 120.04 1u1b s VAL 116 Ca 0.53 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 1u1b s VAL 116 Cb -0.10 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.04 1u1b s VAL 116 CO 0.16 -0.12 1.21 -2.84 -0.31 0.00 0.00 175.10 173.20 1u1b s PRO 117 N -3.75 4.47 0.00 4.82 0.02 -1.26 -1.03 135.00 138.27 1u1b s PRO 117 Ca 0.33 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1u1b s PRO 117 Cb 0.07 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1u1b s PRO 117 CO 0.15 -0.13 0.15 1.33 -0.33 0.00 0.00 177.00 178.17 1u1b n VAL 118 N 2.70 0.00 -3.66 3.83 0.24 -0.33 -4.54 118.33 116.57 1u1b n VAL 118 Ca 0.05 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 1u1b n VAL 118 Cb 0.45 1.51 -0.08 0.00 -1.47 0.00 0.00 33.84 34.25 1u1b n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1u1b s HIS 119 N -0.07 -0.79 -0.29 6.34 5.65 -1.20 -4.68 115.29 120.24 1u1b s HIS 119 Ca 0.00 1.78 -0.16 0.00 0.25 0.00 0.00 55.06 56.93 1u1b s HIS 119 Cb 0.00 0.36 -0.03 0.00 -1.18 0.00 0.00 32.58 31.73 1u1b s HIS 119 CO 0.00 -0.39 0.43 0.12 -0.65 0.00 0.00 174.74 174.25 1u1b s PHE 120 N 0.83 3.23 -0.19 3.88 2.19 -1.26 -0.86 117.98 125.80 1u1b s PHE 120 Ca -0.04 0.35 -0.14 0.00 0.33 0.00 0.00 56.93 57.43 1u1b s PHE 120 Cb -0.05 -2.68 -0.21 0.00 -1.31 0.00 0.00 43.02 38.77 1u1b s PHE 120 CO -0.07 -0.33 0.17 -3.47 1.83 0.00 0.00 175.22 173.36 1u1b n ASP 121 N 5.46 1.98 -3.66 6.13 2.03 0.68 -4.95 116.55 124.21 1u1b n ASP 121 Ca -0.07 0.29 0.01 0.00 0.52 0.00 0.00 54.79 55.54 1u1b n ASP 121 Cb 0.50 -0.87 0.01 0.00 -0.72 0.00 0.00 41.12 40.04 1u1b n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u1b s ALA 122 N -2.46 -2.17 0.03 -1.67 0.00 -0.83 -4.91 121.76 109.75 1u1b s ALA 122 Ca -0.28 0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1u1b s ALA 122 Cb 0.07 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1u1b s ALA 122 CO 0.65 -1.10 -0.12 -1.54 0.00 0.00 0.00 175.76 173.64 1u1b s SER 123 N -3.46 1.42 0.00 0.00 1.04 -1.26 -0.58 113.70 110.86 1u1b s SER 123 Ca 0.23 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1u1b s SER 123 Cb 0.00 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1u1b s SER 123 CO -0.00 0.00 0.00 1.33 0.98 0.00 0.00 173.24 175.55