#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qca s GLU 2 N 0.00 4.14 0.67 -1.58 2.12 -1.26 -4.96 118.70 117.83 2qca s GLU 2 Ca 0.00 2.58 -0.12 0.00 0.36 0.00 0.00 54.97 57.79 2qca s GLU 2 Cb 0.00 -4.12 -0.00 0.00 0.26 0.00 0.00 34.13 30.27 2qca s GLU 2 CO 0.00 -0.94 1.06 0.95 -0.54 0.00 0.00 175.26 175.79 2qca s THR 3 N 4.33 4.00 0.33 -1.70 -4.23 -1.26 -4.87 115.64 112.24 2qca s THR 3 Ca 0.87 0.71 0.02 0.00 -1.18 0.00 0.00 61.69 62.10 2qca s THR 3 Cb -0.42 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.29 2qca s THR 3 CO 0.40 -0.79 1.96 0.00 -0.54 0.00 0.00 174.62 175.65 2qca h ALA 4 N -0.48 1.55 -0.35 3.99 0.00 -1.95 -0.58 119.26 121.45 2qca h ALA 4 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qca h ALA 4 Cb 1.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2qca h ALA 4 CO 0.57 0.36 0.23 0.00 0.00 0.00 0.00 179.25 180.41 2qca h ALA 5 N 1.55 0.44 -0.34 0.00 0.00 -1.90 -1.02 119.26 117.99 2qca h ALA 5 Ca 0.31 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 2qca h ALA 5 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2qca h ALA 5 CO -0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 179.25 178.91 2qca h ALA 6 N 1.12 1.10 -0.26 0.00 0.00 -1.83 -2.46 119.26 116.92 2qca h ALA 6 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 2qca h ALA 6 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qca h ALA 6 CO -0.03 0.56 -0.18 -0.22 0.00 0.00 0.00 179.25 179.38 2qca h LYS 7 N 0.55 0.46 -0.29 0.00 3.64 -0.78 -1.26 116.57 118.90 2qca h LYS 7 Ca 0.09 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2qca h LYS 7 Cb 0.59 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2qca h LYS 7 CO 0.04 0.63 0.19 0.35 -2.27 0.00 0.00 179.45 178.39 2qca h PHE 8 N 0.42 0.37 -0.60 1.91 3.04 -0.87 -1.02 116.94 120.19 2qca h PHE 8 Ca 0.07 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.96 2qca h PHE 8 Cb 0.56 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 2qca h PHE 8 CO 0.02 0.24 0.09 0.93 -2.02 0.00 0.00 178.31 177.57 2qca h GLU 9 N 0.39 0.99 -0.41 1.11 5.08 -1.01 0.08 114.58 120.82 2qca h GLU 9 Ca 0.11 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 2qca h GLU 9 Cb -0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2qca h GLU 9 CO -0.02 0.94 -0.18 -0.09 -1.00 0.00 0.00 179.01 178.66 2qca h ARG 10 N 0.90 0.78 0.00 2.33 2.43 -1.01 -1.58 114.38 118.23 2qca h ARG 10 Ca 0.18 -0.29 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 2qca h ARG 10 Cb 0.43 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2qca h ARG 10 CO 0.01 0.90 -0.82 1.96 -1.51 0.00 0.00 179.97 180.52 2qca h GLN 11 N 0.69 0.00 0.00 0.20 4.20 -1.05 -3.42 115.11 115.74 2qca h GLN 11 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2qca h GLN 11 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2qca h GLN 11 CO 0.05 0.73 -0.19 0.72 -0.67 0.00 0.00 178.83 179.48 2qca n HIS 12 N -3.27 0.00 -3.82 2.96 8.25 0.00 -4.70 115.22 114.65 2qca n HIS 12 Ca -0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2qca n HIS 12 Cb 0.85 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.88 2qca n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2qca s MET 13 N -0.83 3.94 -0.41 -0.41 -1.94 -0.60 -0.23 119.30 118.82 2qca s MET 13 Ca 0.00 -0.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 2qca s MET 13 Cb 0.00 -3.32 0.16 0.00 2.01 0.00 0.00 34.83 33.68 2qca s MET 13 CO 0.00 0.43 0.32 0.34 -0.01 0.00 0.00 175.02 176.10 2qca s ASP 14 N -0.03 1.92 0.00 3.03 3.68 -0.33 -4.87 116.67 120.06 2qca s ASP 14 Ca 0.09 -2.90 0.26 0.00 2.13 0.00 0.00 52.55 52.13 2qca s ASP 14 Cb -0.11 -0.48 1.28 0.00 -1.45 0.00 0.00 42.92 42.16 2qca s ASP 14 CO -0.00 -0.20 1.86 -1.54 0.13 0.00 0.00 175.17 175.42 2qca n SER 15 N 3.09 0.00 0.01 -0.34 3.41 -1.26 -3.79 113.62 114.74 2qca n SER 15 Ca 0.25 -0.04 0.14 0.00 -0.26 0.00 0.00 58.87 58.96 2qca n SER 15 Cb 0.45 -0.30 0.58 0.00 -0.26 0.00 0.00 64.21 64.68 2qca n SER 15 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qca n SER 16 N -1.30 0.10 -4.00 4.04 3.41 -1.26 -4.82 113.62 109.79 2qca n SER 16 Ca 0.12 0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 59.10 2qca n SER 16 Cb 0.21 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.56 2qca n SER 16 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qca s THR 17 N -3.01 0.19 -0.52 6.66 -1.32 -1.25 -5.05 115.64 111.34 2qca s THR 17 Ca 0.14 -0.95 0.24 0.00 -1.21 0.00 0.00 61.69 59.90 2qca s THR 17 Cb 0.18 -0.34 0.22 0.00 -1.51 0.00 0.00 72.50 71.06 2qca s THR 17 CO 0.55 -0.48 1.52 0.77 -2.21 0.00 0.00 174.62 174.76 2qca h SER 18 N 4.60 0.00 -5.22 8.08 4.64 -1.87 -3.44 113.55 120.34 2qca h SER 18 Ca -0.33 -0.04 0.20 0.00 -0.47 0.00 0.00 61.79 61.16 2qca h SER 18 Cb 1.21 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.19 2qca h SER 18 CO 0.41 0.02 0.59 0.00 -0.87 0.00 0.00 176.83 176.98 2qca s ALA 19 N -3.20 -1.85 0.02 5.18 0.00 -1.26 -4.85 121.76 115.80 2qca s ALA 19 Ca 0.07 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 2qca s ALA 19 Cb 0.09 0.48 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 2qca s ALA 19 CO 0.68 -0.95 1.51 0.00 0.00 0.00 0.00 175.76 177.00 2qca s ALA 20 N -3.00 3.62 -0.15 0.00 0.00 -1.26 -4.92 121.76 116.05 2qca s ALA 20 Ca 0.11 1.00 0.18 0.00 0.00 0.00 0.00 51.96 53.24 2qca s ALA 20 Cb 0.00 -3.64 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 2qca s ALA 20 CO -0.02 -1.02 0.93 0.66 0.00 0.00 0.00 175.76 176.31 2qca h SER 21 N 8.14 0.00 -4.42 0.00 4.64 -2.00 -3.48 113.55 116.43 2qca h SER 21 Ca -0.39 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.64 2qca h SER 21 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 2qca h SER 21 CO 0.92 0.46 -0.67 -0.94 -0.87 0.00 0.00 176.83 175.73 2qca s SER 22 N -5.77 1.31 0.18 4.97 1.04 -1.26 -5.00 113.70 109.16 2qca s SER 22 Ca -0.02 -1.14 0.19 0.00 0.48 0.00 0.00 55.95 55.47 2qca s SER 22 Cb 0.09 0.09 0.84 0.00 0.10 0.00 0.00 66.02 67.14 2qca s SER 22 CO 0.80 -0.53 1.58 -1.54 0.98 0.00 0.00 173.24 174.54 2qca n SER 23 N -0.22 0.42 -0.78 7.02 3.41 -1.26 -1.82 113.62 120.40 2qca n SER 23 Ca -0.08 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 2qca n SER 23 Cb 0.63 -0.71 0.31 0.00 -0.26 0.00 0.00 64.21 64.18 2qca n SER 23 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qca n ASN 24 N -1.99 2.35 -0.10 4.04 0.23 -1.26 -4.38 115.26 114.15 2qca n ASN 24 Ca 0.02 -1.81 -0.06 0.00 -0.53 0.00 0.00 54.58 52.20 2qca n ASN 24 Cb 0.17 -0.14 0.02 0.00 -2.08 0.00 0.00 39.78 37.75 2qca n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2qca h TYR 25 N 3.17 0.06 -0.52 -2.53 5.03 -1.77 -1.84 116.97 118.56 2qca h TYR 25 Ca 0.00 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 2qca h TYR 25 Cb 0.69 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.98 2qca h TYR 25 CO 0.14 -0.02 -0.05 0.00 -1.32 0.00 0.00 178.16 176.90 2qca h ASN 27 N 0.84 1.13 -0.12 0.00 2.35 -1.71 -0.98 115.58 117.09 2qca h ASN 27 Ca 0.15 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 2qca h ASN 27 Cb 0.57 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 38.66 2qca h ASN 27 CO 0.03 0.89 -0.54 1.56 -1.65 0.00 0.00 177.43 177.72 2qca h GLN 28 N 1.28 0.58 0.04 0.81 4.20 -1.01 -3.17 115.11 117.84 2qca h GLN 28 Ca 0.33 -0.46 -0.23 0.00 0.06 0.00 0.00 58.65 58.35 2qca h GLN 28 Cb -0.01 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2qca h GLN 28 CO -0.06 1.08 -1.01 0.52 -0.67 0.00 0.00 178.83 178.70 2qca h MET 29 N 0.21 0.26 -0.51 1.46 2.86 -0.78 -0.56 114.93 117.87 2qca h MET 29 Ca -0.03 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.23 2qca h MET 29 Cb 1.18 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 2qca h MET 29 CO 0.11 1.07 0.13 0.52 1.06 0.00 0.00 176.91 179.81 2qca h MET 30 N 0.12 0.76 -0.12 1.72 2.86 -1.30 -0.96 114.93 118.01 2qca h MET 30 Ca -0.08 -0.14 -0.10 0.00 -2.06 0.00 0.00 59.70 57.32 2qca h MET 30 Cb 1.68 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.22 2qca h MET 30 CO 0.16 0.68 -0.32 -0.22 1.06 0.00 0.00 176.91 178.27 2qca h LYS 31 N 0.74 0.44 0.00 1.72 3.64 -1.50 0.76 116.57 122.37 2qca h LYS 31 Ca 0.17 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2qca h LYS 31 Cb 0.26 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2qca h LYS 31 CO -0.00 0.92 -0.38 0.66 -2.27 0.00 0.00 179.45 178.37 2qca h SER 32 N 0.03 0.00 -0.18 4.20 4.64 -0.84 -2.00 113.55 119.41 2qca h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qca h SER 32 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2qca h SER 32 CO 0.07 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 176.95 2qca n ARG 33 N -3.36 1.49 -2.66 4.77 5.12 -0.39 -4.94 116.66 116.69 2qca n ARG 33 Ca 0.01 -0.75 -0.10 0.00 -1.93 0.00 0.00 57.85 55.08 2qca n ARG 33 Cb 0.58 -1.24 0.02 0.00 -1.16 0.00 0.00 32.46 30.66 2qca n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qca n ASN 34 N 0.05 -3.66 -1.07 0.55 4.13 -0.75 -4.85 115.26 109.66 2qca n ASN 34 Ca 0.10 -0.15 0.11 0.00 1.68 0.00 0.00 54.58 56.33 2qca n ASN 34 Cb 0.20 -2.51 0.21 0.00 -1.54 0.00 0.00 39.78 36.14 2qca n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2qca n LEU 35 N -2.04 3.35 -0.11 3.41 4.77 0.26 -4.08 117.00 122.56 2qca n LEU 35 Ca -0.04 -1.56 0.06 0.00 -0.03 0.00 0.00 56.01 54.43 2qca n LEU 35 Cb 0.55 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2qca n LEU 35 CO 0.22 0.74 0.49 0.35 -1.33 0.00 0.00 177.39 177.87 2qca n THR 36 N 1.35 1.31 0.12 -5.08 -2.24 -1.24 -3.42 114.28 105.09 2qca n THR 36 Ca 0.18 -1.53 -0.21 0.00 -2.27 0.00 0.00 64.05 60.22 2qca n THR 36 Cb 0.57 0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.76 2qca n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qca h LYS 37 N 0.00 0.49 0.05 -0.78 1.63 -1.91 -3.36 116.57 112.68 2qca h LYS 37 Ca 0.00 -0.77 -0.29 0.00 -0.85 0.00 0.00 60.65 58.75 2qca h LYS 37 Cb 0.94 0.28 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 2qca h LYS 37 CO 0.00 1.36 -1.53 -0.44 -3.45 0.00 0.00 179.45 175.38 2qca h ASP 38 N 0.16 0.17 -5.26 4.20 3.45 -1.88 -3.49 116.42 113.78 2qca h ASP 38 Ca -0.20 -0.28 0.19 0.00 0.43 0.00 0.00 57.03 57.17 2qca h ASP 38 Cb 2.04 -0.06 -0.10 0.00 -0.56 0.00 0.00 39.33 40.65 2qca h ASP 38 CO 0.25 1.24 0.53 0.00 -1.57 0.00 0.00 179.24 179.68 2qca s ARG 39 N -2.62 1.03 -0.40 3.56 1.70 -1.26 -5.11 118.95 115.85 2qca s ARG 39 Ca -0.07 -0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 2qca s ARG 39 Cb 0.08 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.85 2qca s ARG 39 CO 0.83 -0.47 1.21 0.00 -1.08 0.00 0.00 175.30 175.78 2qca s LYS 41 N 4.33 4.24 0.26 0.00 2.20 -1.22 -4.89 119.74 124.67 2qca s LYS 41 Ca 0.51 2.19 -0.02 0.00 -0.36 0.00 0.00 55.97 58.30 2qca s LYS 41 Cb -0.11 -3.50 0.34 0.00 -1.51 0.00 0.00 37.83 33.05 2qca s LYS 41 CO 0.27 -0.63 1.76 -1.35 -0.36 0.00 0.00 175.35 175.04 2qca h PRO 42 N 7.82 0.79 -3.18 4.03 0.11 -1.94 -3.43 132.00 136.19 2qca h PRO 42 Ca -0.41 -0.21 -0.19 0.00 0.11 0.00 0.00 66.00 65.30 2qca h PRO 42 Cb 1.20 -0.09 -0.28 0.00 0.11 0.00 0.00 31.00 31.94 2qca h PRO 42 CO 0.91 0.79 -0.49 0.08 -0.21 0.00 0.00 178.00 179.08 2qca s VAL 43 N -4.99 -0.02 -0.17 3.15 1.01 -1.26 -1.81 120.40 116.31 2qca s VAL 43 Ca -0.09 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 2qca s VAL 43 Cb 0.15 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.28 2qca s VAL 43 CO 0.81 0.03 0.41 0.21 0.00 0.00 0.00 175.10 176.56 2qca s ASN 44 N 0.55 -0.46 -0.15 3.32 2.47 -0.04 -5.02 114.94 115.60 2qca s ASN 44 Ca -0.04 0.91 -0.07 0.00 0.42 0.00 0.00 52.86 54.09 2qca s ASN 44 Cb -0.05 0.87 -0.04 0.00 -1.45 0.00 0.00 41.25 40.58 2qca s ASN 44 CO -0.03 -0.20 0.07 -0.89 -3.72 0.00 0.00 177.10 172.33 2qca s THR 45 N 1.63 4.92 -0.07 -5.21 2.01 -1.26 -1.63 115.64 116.02 2qca s THR 45 Ca -0.08 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 2qca s THR 45 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 2qca s THR 45 CO -0.13 0.52 0.08 -0.36 -0.69 0.00 0.00 174.62 174.04 2qca s PHE 46 N -0.15 3.36 -0.15 4.92 0.08 -0.24 -4.47 117.98 121.33 2qca s PHE 46 Ca 0.08 0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.45 2qca s PHE 46 Cb -0.12 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2qca s PHE 46 CO 0.01 0.59 -0.14 0.08 -0.10 0.00 0.00 175.22 175.66 2qca s VAL 47 N -1.04 2.80 -0.94 -0.44 1.01 0.68 -0.54 120.40 121.93 2qca s VAL 47 Ca 0.17 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2qca s VAL 47 Cb -0.12 -2.18 0.32 0.00 0.00 0.00 0.00 36.38 34.40 2qca s VAL 47 CO 0.07 0.52 1.62 1.41 0.00 0.00 0.00 175.10 178.71 2qca n HIS 48 N 3.89 2.98 -4.18 5.22 -0.00 -0.06 -1.19 115.22 121.89 2qca n HIS 48 Ca -0.19 -2.86 -0.11 0.00 -0.00 0.00 0.00 57.72 54.57 2qca n HIS 48 Cb 0.52 -1.06 -0.10 0.00 -0.00 0.00 0.00 29.99 29.35 2qca n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2qca s GLU 49 N -4.02 1.01 0.72 -0.41 0.41 -1.26 -4.60 118.70 110.54 2qca s GLU 49 Ca 0.40 -1.49 -0.13 0.00 -0.41 0.00 0.00 54.97 53.34 2qca s GLU 49 Cb 0.19 0.13 0.03 0.00 -1.78 0.00 0.00 34.13 32.70 2qca s GLU 49 CO -0.11 -0.25 1.11 -1.54 -0.49 0.00 0.00 175.26 173.98 2qca s SER 50 N -3.09 4.71 0.22 -0.19 1.04 -1.26 -4.30 113.70 110.83 2qca s SER 50 Ca 0.26 1.99 -0.08 0.00 0.48 0.00 0.00 55.95 58.59 2qca s SER 50 Cb 0.07 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.88 2qca s SER 50 CO 0.04 -1.90 1.85 0.25 0.98 0.00 0.00 173.24 174.46 2qca h LEU 51 N -0.47 0.77 -1.21 2.42 5.85 -1.98 -2.23 115.31 118.47 2qca h LEU 51 Ca -0.46 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2qca h LEU 51 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2qca h LEU 51 CO 0.52 0.52 0.19 0.00 -0.34 0.00 0.00 178.44 179.33 2qca h ALA 52 N 1.34 1.37 -0.24 1.25 0.00 -1.99 0.25 119.26 121.24 2qca h ALA 52 Ca 0.31 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2qca h ALA 52 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2qca h ALA 52 CO -0.13 0.47 -0.30 -0.44 0.00 0.00 0.00 179.25 178.85 2qca h ASP 53 N 0.73 0.50 0.00 0.00 5.19 -1.79 -1.64 116.42 119.41 2qca h ASP 53 Ca 0.17 -0.18 -0.20 0.00 -0.62 0.00 0.00 57.03 56.20 2qca h ASP 53 Cb 0.17 -0.14 0.02 0.00 0.18 0.00 0.00 39.33 39.56 2qca h ASP 53 CO -0.01 0.78 -0.77 0.58 -3.12 0.00 0.00 179.24 176.70 2qca h VAL 54 N 0.42 1.37 -0.08 -1.35 2.07 -0.94 -3.15 116.25 114.59 2qca h VAL 54 Ca 0.05 -2.14 0.01 0.00 0.82 0.00 0.00 66.70 65.44 2qca h VAL 54 Cb 0.74 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2qca h VAL 54 CO 0.06 0.64 0.06 1.56 0.02 0.00 0.00 177.57 179.90 2qca h GLN 55 N 0.07 0.08 0.00 1.57 4.20 -0.85 -1.96 115.11 118.22 2qca h GLN 55 Ca -0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2qca h GLN 55 Cb 1.46 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.22 2qca h GLN 55 CO 0.15 0.06 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 2qca h ALA 56 N 1.95 1.00 0.00 3.87 0.00 -1.25 -2.59 119.26 122.24 2qca h ALA 56 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qca h ALA 56 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qca h ALA 56 CO -0.01 0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.46 2qca h VAL 57 N 0.00 0.35 0.00 0.00 2.07 -1.41 -1.22 116.25 116.04 2qca h VAL 57 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2qca h VAL 57 Cb 0.31 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2qca h VAL 57 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2qca n SER 59 N -1.29 3.18 0.00 0.00 7.64 -0.46 -5.00 113.62 117.69 2qca n SER 59 Ca 0.07 -2.81 0.00 0.00 1.01 0.00 0.00 58.87 57.13 2qca n SER 59 Cb 0.11 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2qca n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qca n GLN 60 N -0.62 0.58 -2.73 1.43 6.02 -0.55 -5.01 117.38 116.50 2qca n GLN 60 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 2qca n GLN 60 Cb 0.71 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.94 2qca n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2qca s LYS 61 N 4.19 4.22 -0.02 -1.09 2.20 -0.84 -4.86 119.74 123.55 2qca s LYS 61 Ca 0.00 1.21 -0.30 0.00 -0.36 0.00 0.00 55.97 56.52 2qca s LYS 61 Cb 0.00 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 2qca s LYS 61 CO 0.00 -0.61 1.01 1.21 -0.36 0.00 0.00 175.35 176.59 2qca s ASN 62 N 1.27 7.31 0.18 1.43 3.04 -1.26 -0.26 114.94 126.66 2qca s ASN 62 Ca 0.41 1.67 0.01 0.00 0.04 0.00 0.00 52.86 54.99 2qca s ASN 62 Cb -0.15 -2.57 -0.05 0.00 -1.54 0.00 0.00 41.25 36.95 2qca s ASN 62 CO 0.07 -0.32 0.04 0.68 -3.04 0.00 0.00 177.10 174.52 2qca s VAL 63 N 1.25 0.50 0.28 -5.21 -7.23 -0.30 -4.92 120.40 104.77 2qca s VAL 63 Ca 0.52 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 2qca s VAL 63 Cb -0.21 -2.21 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 2qca s VAL 63 CO 0.26 -0.37 1.14 0.00 -0.31 0.00 0.00 175.10 175.82 2qca s ALA 64 N -3.78 3.43 0.73 1.32 0.00 -1.26 -3.27 121.76 118.92 2qca s ALA 64 Ca 0.27 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 2qca s ALA 64 Cb 0.07 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.86 2qca s ALA 64 CO 0.06 -0.26 1.10 0.00 0.00 0.00 0.00 175.76 176.66 2qca h LYS 66 N -0.71 0.00 -0.64 0.00 1.57 -1.92 -1.05 116.57 113.83 2qca h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2qca h LYS 66 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2qca h LYS 66 CO 0.52 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.67 2qca n ASN 67 N -3.94 3.95 0.00 0.86 6.94 -1.26 -4.93 115.26 116.89 2qca n ASN 67 Ca 0.03 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 2qca n ASN 67 Cb 0.38 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2qca n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qca n GLY 68 N 1.16 1.64 3.58 4.83 0.00 -0.40 -5.04 105.19 110.97 2qca n GLY 68 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2qca n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qca n GLN 69 N -2.00 0.31 -0.17 1.61 6.02 -1.26 -4.71 117.38 117.19 2qca n GLN 69 Ca 0.00 0.16 0.08 0.00 -0.01 0.00 0.00 57.00 57.23 2qca n GLN 69 Cb 0.00 -2.16 0.16 0.00 1.02 0.00 0.00 30.24 29.26 2qca n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2qca n THR 70 N -2.78 0.68 -1.39 5.09 -2.24 -1.26 -1.14 114.28 111.24 2qca n THR 70 Ca 0.12 -0.84 -0.30 0.00 -2.27 0.00 0.00 64.05 60.76 2qca n THR 70 Cb 0.50 0.76 0.10 0.00 -2.10 0.00 0.00 70.33 69.59 2qca n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2qca n ASN 71 N 0.89 6.37 -4.73 3.42 6.94 -1.26 -4.74 115.26 122.14 2qca n ASN 71 Ca 0.14 -3.75 -0.29 0.00 -0.02 0.00 0.00 54.58 50.66 2qca n ASN 71 Cb 0.46 -0.87 -0.07 0.00 -2.36 0.00 0.00 39.78 36.94 2qca n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qca s TYR 73 N -1.47 0.36 -0.10 0.00 1.51 0.40 -1.15 117.35 116.91 2qca s TYR 73 Ca 0.28 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2qca s TYR 73 Cb -0.11 -0.25 -0.03 0.00 -0.11 0.00 0.00 41.96 41.46 2qca s TYR 73 CO 0.20 -0.02 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.44 2qca s GLN 74 N -0.01 3.10 0.38 -0.62 0.74 0.64 -1.34 119.66 122.56 2qca s GLN 74 Ca 0.01 -0.50 -0.27 0.00 0.05 0.00 0.00 55.36 54.64 2qca s GLN 74 Cb -0.03 -2.75 -0.09 0.00 1.10 0.00 0.00 33.01 31.25 2qca s GLN 74 CO -0.00 0.54 1.28 -1.54 -0.55 0.00 0.00 175.29 175.02 2qca s SER 75 N -0.46 6.51 0.31 6.67 1.04 -0.35 -1.98 113.70 125.45 2qca s SER 75 Ca 0.07 2.61 0.08 0.00 0.48 0.00 0.00 55.95 59.19 2qca s SER 75 Cb -0.12 -2.64 0.49 0.00 0.10 0.00 0.00 66.02 63.85 2qca s SER 75 CO 0.02 -0.71 1.71 1.88 0.98 0.00 0.00 173.24 177.13 2qca h TYR 76 N 2.93 0.20 -2.17 5.02 0.05 -1.95 -3.44 116.97 117.60 2qca h TYR 76 Ca -0.49 -0.06 -0.52 0.00 0.05 0.00 0.00 58.73 57.71 2qca h TYR 76 Cb 1.24 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.87 2qca h TYR 76 CO 0.54 0.57 -0.55 -1.12 -1.05 0.00 0.00 178.16 176.56 2qca s SER 77 N -6.89 5.23 0.72 3.88 0.01 -1.26 -5.08 113.70 110.32 2qca s SER 77 Ca -0.04 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 2qca s SER 77 Cb 0.13 -1.22 0.03 0.00 0.21 0.00 0.00 66.02 65.17 2qca s SER 77 CO 0.76 -0.05 1.08 0.42 0.41 0.00 0.00 173.24 175.86 2qca s THR 78 N -2.20 3.54 0.07 1.44 -4.23 -1.26 -4.51 115.64 108.49 2qca s THR 78 Ca 0.33 0.55 0.03 0.00 -1.18 0.00 0.00 61.69 61.42 2qca s THR 78 Cb -0.07 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.63 2qca s THR 78 CO 0.24 -0.60 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.58 2qca s MET 79 N -4.74 0.71 -0.16 3.99 -1.94 0.02 -4.88 119.30 112.30 2qca s MET 79 Ca 0.61 -0.96 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 2qca s MET 79 Cb -0.17 -0.46 -0.02 0.00 2.01 0.00 0.00 34.83 36.19 2qca s MET 79 CO 0.52 0.08 1.29 0.45 -0.01 0.00 0.00 175.02 177.35 2qca s SER 80 N -1.99 6.92 0.12 3.03 0.15 -1.26 -1.85 113.70 118.82 2qca s SER 80 Ca -0.02 1.72 0.03 0.00 0.70 0.00 0.00 55.95 58.38 2qca s SER 80 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 2qca s SER 80 CO 0.00 -0.78 -0.09 0.27 1.20 0.00 0.00 173.24 173.85 2qca s ILE 81 N 3.55 0.93 -0.15 6.45 -4.36 -0.37 -0.88 121.20 126.37 2qca s ILE 81 Ca 0.56 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 2qca s ILE 81 Cb -0.22 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 41.80 2qca s ILE 81 CO 0.16 -0.78 -0.17 -0.89 0.24 0.00 0.00 174.94 173.50 2qca s THR 82 N -3.33 1.76 -0.21 8.37 2.01 0.29 -1.24 115.64 123.29 2qca s THR 82 Ca 0.13 -0.77 -0.20 0.00 0.31 0.00 0.00 61.69 61.16 2qca s THR 82 Cb 0.03 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2qca s THR 82 CO -0.02 0.49 0.60 -0.62 -0.69 0.00 0.00 174.62 174.39 2qca s ASP 83 N 1.26 6.63 -0.21 3.53 -1.08 0.31 -1.08 116.67 126.03 2qca s ASP 83 Ca 0.01 0.76 -0.03 0.00 -0.52 0.00 0.00 52.55 52.78 2qca s ASP 83 Cb -0.14 -2.33 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 2qca s ASP 83 CO -0.09 -0.28 -0.06 0.00 0.52 0.00 0.00 175.17 175.27 2qca s ARG 85 N 1.29 0.56 0.44 0.00 1.70 -1.08 -0.86 118.95 121.00 2qca s ARG 85 Ca 0.03 -0.36 -0.24 0.00 -0.47 0.00 0.00 55.73 54.69 2qca s ARG 85 Cb -0.14 0.24 -0.09 0.00 -0.57 0.00 0.00 34.95 34.38 2qca s ARG 85 CO -0.02 -0.14 1.15 -0.85 -1.08 0.00 0.00 175.30 174.35 2qca n GLU 86 N 1.32 1.60 -2.53 3.89 0.28 -0.75 -1.20 120.64 123.25 2qca n GLU 86 Ca -0.22 0.57 -0.24 0.00 -0.16 0.00 0.00 57.16 57.11 2qca n GLU 86 Cb 0.56 -2.24 0.13 0.00 1.43 0.00 0.00 31.44 31.32 2qca n GLU 86 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2qca n THR 87 N -0.50 0.00 0.01 3.84 -2.24 -0.59 -4.75 114.28 110.05 2qca n THR 87 Ca 0.09 -1.54 0.03 0.00 -2.27 0.00 0.00 64.05 60.35 2qca n THR 87 Cb 0.40 -0.95 0.39 0.00 -2.10 0.00 0.00 70.33 68.07 2qca n THR 87 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qca h GLY 88 N -0.74 0.53 1.66 3.38 0.00 -1.95 -2.55 103.07 103.40 2qca h GLY 88 Ca -0.35 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 2qca h GLY 88 CO 0.36 0.23 -0.20 1.76 0.00 0.00 0.00 176.54 178.69 2qca h SER 89 N 0.50 0.40 -1.91 0.19 0.02 -1.94 -3.45 113.55 107.37 2qca h SER 89 Ca 0.13 -0.12 -0.65 0.00 -0.84 0.00 0.00 61.79 60.31 2qca h SER 89 Cb 0.10 -0.11 0.04 0.00 0.14 0.00 0.00 62.40 62.57 2qca h SER 89 CO -0.01 0.62 0.76 -0.24 -1.14 0.00 0.00 176.83 176.82 2qca n SER 90 N -4.17 2.58 -3.26 3.07 2.88 -0.96 -4.93 113.62 108.83 2qca n SER 90 Ca -0.00 1.07 -0.03 0.00 -1.33 0.00 0.00 58.87 58.58 2qca n SER 90 Cb 0.36 -1.29 -0.05 0.00 -0.75 0.00 0.00 64.21 62.48 2qca n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2qca s LYS 91 N 1.85 0.45 0.31 -1.46 2.20 -1.08 -4.93 119.74 117.09 2qca s LYS 91 Ca 0.87 0.71 -0.27 0.00 -0.36 0.00 0.00 55.97 56.91 2qca s LYS 91 Cb -0.84 -0.02 -0.13 0.00 -1.51 0.00 0.00 37.83 35.33 2qca s LYS 91 CO 0.48 -0.67 0.99 0.98 -0.36 0.00 0.00 175.35 176.77 2qca n TYR 92 N 5.39 1.19 0.79 4.03 9.36 -1.26 0.51 117.16 137.17 2qca n TYR 92 Ca -0.02 0.68 0.03 0.00 3.32 0.00 0.00 57.90 61.91 2qca n TYR 92 Cb 0.51 -2.24 0.11 0.00 -0.63 0.00 0.00 39.34 37.09 2qca n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2qca n PRO 93 N 0.63 1.91 -3.27 2.98 -0.04 -1.26 -4.98 135.00 130.96 2qca n PRO 93 Ca 0.09 -0.89 -0.45 0.00 -0.04 0.00 0.00 63.50 62.21 2qca n PRO 93 Cb 0.33 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.29 2qca n PRO 93 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2qca s ASN 94 N -0.55 7.17 0.47 3.54 2.47 0.18 -5.01 114.94 123.21 2qca s ASN 94 Ca 0.16 -3.31 -0.21 0.00 0.42 0.00 0.00 52.86 49.93 2qca s ASN 94 Cb 0.11 -2.24 -0.09 0.00 -1.45 0.00 0.00 41.25 37.57 2qca s ASN 94 CO 0.07 -0.42 1.01 0.00 -3.72 0.00 0.00 177.10 174.04 2qca s ALA 96 N -2.05 -0.40 0.08 0.00 0.00 -1.26 -4.93 121.76 113.20 2qca s ALA 96 Ca 0.65 0.71 0.06 0.00 0.00 0.00 0.00 51.96 53.39 2qca s ALA 96 Cb -0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2qca s ALA 96 CO 0.17 -0.15 -0.17 0.71 0.00 0.00 0.00 175.76 176.33 2qca s TYR 97 N 0.86 1.42 -0.07 0.00 2.02 -1.26 -1.54 117.35 118.79 2qca s TYR 97 Ca -0.06 -0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 56.12 2qca s TYR 97 Cb -0.08 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 2qca s TYR 97 CO -0.05 0.11 0.20 0.21 -1.57 0.00 0.00 175.55 174.45 2qca s LYS 98 N -1.75 3.53 -0.21 -0.62 2.20 -0.34 -4.58 119.74 117.97 2qca s LYS 98 Ca 0.01 -0.06 -0.06 0.00 -0.36 0.00 0.00 55.97 55.50 2qca s LYS 98 Cb -0.10 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2qca s LYS 98 CO 0.03 0.73 0.02 0.99 -0.36 0.00 0.00 175.35 176.76 2qca s THR 99 N -1.11 4.10 -0.11 3.43 2.01 -1.26 -2.63 115.64 120.07 2qca s THR 99 Ca 0.20 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2qca s THR 99 Cb -0.13 -2.87 0.02 0.00 0.01 0.00 0.00 72.50 69.53 2qca s THR 99 CO 0.09 0.41 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.43 2qca s THR 100 N 1.10 1.20 0.05 -0.82 2.01 -0.65 -4.97 115.64 113.56 2qca s THR 100 Ca 0.03 -0.43 -0.21 0.00 0.31 0.00 0.00 61.69 61.39 2qca s THR 100 Cb -0.14 -1.15 -0.06 0.00 0.01 0.00 0.00 72.50 71.15 2qca s THR 100 CO 0.02 0.39 0.63 -1.10 -0.69 0.00 0.00 174.62 173.87 2qca s GLN 101 N 1.37 4.34 0.18 4.92 1.11 -1.26 -0.53 119.66 129.79 2qca s GLN 101 Ca -0.00 0.83 -0.14 0.00 0.01 0.00 0.00 55.36 56.06 2qca s GLN 101 Cb -0.14 -3.30 0.01 0.00 -1.01 0.00 0.00 33.01 28.58 2qca s GLN 101 CO -0.05 0.47 0.43 0.00 0.01 0.00 0.00 175.29 176.14 2qca s ALA 102 N -0.58 -0.57 -0.30 6.09 0.00 -0.37 -4.97 121.76 121.06 2qca s ALA 102 Ca 0.32 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2qca s ALA 102 Cb -0.20 0.84 0.08 0.00 0.00 0.00 0.00 23.12 23.85 2qca s ALA 102 CO 0.20 -0.74 -0.00 1.21 0.00 0.00 0.00 175.76 176.43 2qca s ASN 103 N -2.91 4.41 0.11 0.00 3.04 -1.26 -1.24 114.94 117.10 2qca s ASN 103 Ca 0.12 -1.71 -0.07 0.00 0.04 0.00 0.00 52.86 51.24 2qca s ASN 103 Cb 0.01 -1.42 -0.01 0.00 -1.54 0.00 0.00 41.25 38.28 2qca s ASN 103 CO -0.02 -0.31 0.17 -0.54 -3.04 0.00 0.00 177.10 173.36 2qca s LYS 104 N 1.14 0.91 0.48 0.43 -0.14 -0.77 -4.82 119.74 116.96 2qca s LYS 104 Ca 0.03 -1.11 -0.21 0.00 -1.36 0.00 0.00 55.97 53.32 2qca s LYS 104 Cb -0.19 0.32 -0.09 0.00 -1.68 0.00 0.00 37.83 36.20 2qca s LYS 104 CO -0.09 -0.29 1.04 -1.01 -0.76 0.00 0.00 175.35 174.24 2qca s HIS 105 N -3.92 3.02 0.10 3.18 3.76 -1.26 -0.80 115.29 119.37 2qca s HIS 105 Ca 0.11 1.58 0.06 0.00 -0.15 0.00 0.00 55.06 56.66 2qca s HIS 105 Cb 0.05 -3.06 -0.04 0.00 1.11 0.00 0.00 32.58 30.64 2qca s HIS 105 CO -0.06 -0.80 -0.05 0.96 -0.85 0.00 0.00 174.74 173.94 2qca s ILE 106 N -1.96 3.68 -0.14 0.60 -4.36 -1.26 -0.85 121.20 116.91 2qca s ILE 106 Ca 0.66 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 2qca s ILE 106 Cb -0.16 -2.74 0.02 0.00 1.25 0.00 0.00 42.46 40.83 2qca s ILE 106 CO 0.20 0.12 -0.15 -0.63 0.24 0.00 0.00 174.94 174.72 2qca s ILE 107 N -1.26 1.60 0.18 8.37 1.01 -0.04 -1.21 121.20 129.84 2qca s ILE 107 Ca 0.23 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2qca s ILE 107 Cb -0.11 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 2qca s ILE 107 CO 0.16 0.46 -0.16 0.68 0.00 0.00 0.00 174.94 176.08 2qca s VAL 108 N 1.32 1.70 -0.04 2.92 -7.23 -0.45 -0.52 120.40 118.10 2qca s VAL 108 Ca 0.02 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 2qca s VAL 108 Cb -0.13 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2qca s VAL 108 CO -0.08 -0.46 0.35 0.00 -0.31 0.00 0.00 175.10 174.60 2qca s ALA 109 N -2.48 3.71 0.12 1.32 0.00 -0.40 -0.45 121.76 123.58 2qca s ALA 109 Ca 0.18 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.92 2qca s ALA 109 Cb -0.03 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2qca s ALA 109 CO 0.06 0.45 -0.24 0.00 0.00 0.00 0.00 175.76 176.03 2qca s GLU 111 N -2.01 1.19 0.00 0.00 2.12 -0.67 -4.91 118.70 114.42 2qca s GLU 111 Ca 0.11 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.23 2qca s GLU 111 Cb -0.10 0.55 0.00 0.00 0.26 0.00 0.00 34.13 34.84 2qca s GLU 111 CO 0.05 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2qca n GLY 112 N 0.10 1.43 2.85 -1.50 0.00 -1.26 -2.32 105.19 104.50 2qca n GLY 112 Ca -0.18 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.32 2qca n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qca s ASN 113 N 0.00 4.21 0.66 1.61 3.04 -1.26 -2.12 114.94 121.08 2qca s ASN 113 Ca 0.00 -2.28 -0.11 0.00 0.04 0.00 0.00 52.86 50.51 2qca s ASN 113 Cb 0.00 -1.27 -0.01 0.00 -1.54 0.00 0.00 41.25 38.42 2qca s ASN 113 CO 0.00 -0.34 1.06 -2.16 -3.04 0.00 0.00 177.10 172.62 2qca s PRO 114 N 0.75 3.22 -0.67 0.43 0.04 -1.26 -5.10 135.00 132.41 2qca s PRO 114 Ca 0.13 0.70 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 2qca s PRO 114 Cb -0.21 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2qca s PRO 114 CO -0.09 -0.83 1.05 -0.47 0.04 0.00 0.00 177.00 176.70 2qca s TYR 115 N -3.21 2.58 0.14 0.56 5.04 -0.90 -4.86 117.35 116.69 2qca s TYR 115 Ca 0.57 -0.32 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2qca s TYR 115 Cb -0.12 -4.36 -0.04 0.00 0.35 0.00 0.00 41.96 37.79 2qca s TYR 115 CO 0.54 -1.73 0.05 0.14 -1.34 0.00 0.00 175.55 173.21 2qca s VAL 116 N 4.53 0.16 0.30 3.14 -7.23 -0.98 -4.84 120.40 115.49 2qca s VAL 116 Ca 0.27 -1.92 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 2qca s VAL 116 Cb -0.14 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 2qca s VAL 116 CO 0.13 -0.47 1.30 -2.84 -0.31 0.00 0.00 175.10 172.91 2qca s PRO 117 N -4.03 4.38 0.00 4.82 0.02 -1.26 -1.67 135.00 137.26 2qca s PRO 117 Ca 0.24 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2qca s PRO 117 Cb 0.07 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.49 2qca s PRO 117 CO 0.02 -0.17 0.24 1.33 -0.33 0.00 0.00 177.00 178.09 2qca n VAL 118 N 1.19 0.00 -3.63 3.83 0.24 0.11 -4.54 118.33 115.52 2qca n VAL 118 Ca 0.01 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 2qca n VAL 118 Cb 0.42 1.44 -0.07 0.00 -1.47 0.00 0.00 33.84 34.16 2qca n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2qca s HIS 119 N -0.04 -0.68 -0.26 6.34 5.65 -1.20 -4.74 115.29 120.36 2qca s HIS 119 Ca 0.00 1.62 -0.17 0.00 0.25 0.00 0.00 55.06 56.76 2qca s HIS 119 Cb 0.00 0.33 -0.03 0.00 -1.18 0.00 0.00 32.58 31.70 2qca s HIS 119 CO 0.00 -0.33 0.47 0.12 -0.65 0.00 0.00 174.74 174.35 2qca s PHE 120 N 0.43 3.27 -0.19 3.88 2.19 -1.26 -1.27 117.98 125.02 2qca s PHE 120 Ca 0.00 0.57 -0.12 0.00 0.33 0.00 0.00 56.93 57.72 2qca s PHE 120 Cb -0.05 -2.66 -0.21 0.00 -1.31 0.00 0.00 43.02 38.79 2qca s PHE 120 CO -0.04 -0.24 0.15 -3.47 1.83 0.00 0.00 175.22 173.45 2qca n ASP 121 N 5.39 1.99 -3.60 6.13 2.03 0.32 -4.99 116.55 123.83 2qca n ASP 121 Ca -0.06 0.26 -0.04 0.00 0.52 0.00 0.00 54.79 55.48 2qca n ASP 121 Cb 0.50 -0.84 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 2qca n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qca s ALA 122 N -2.48 -2.07 0.06 -1.67 0.00 -1.11 -4.94 121.76 109.55 2qca s ALA 122 Ca -0.28 1.41 0.09 0.00 0.00 0.00 0.00 51.96 53.18 2qca s ALA 122 Cb 0.08 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2qca s ALA 122 CO 0.65 -0.67 -0.25 -1.54 0.00 0.00 0.00 175.76 173.95 2qca s SER 123 N -2.32 3.30 0.00 0.00 1.04 -1.26 -0.86 113.70 113.59 2qca s SER 123 Ca 0.10 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2qca s SER 123 Cb -0.00 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2qca s SER 123 CO -0.05 0.24 0.00 1.33 0.98 0.00 0.00 173.24 175.75