#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rca s GLU 2 N 0.00 4.17 0.78 1.97 2.12 -1.26 -4.98 118.70 121.51 1rca s GLU 2 Ca 0.00 2.49 -0.11 0.00 0.36 0.00 0.00 54.97 57.71 1rca s GLU 2 Cb 0.00 -3.15 0.06 0.00 0.26 0.00 0.00 34.13 31.31 1rca s GLU 2 CO 0.00 -0.69 1.09 0.95 -0.54 0.00 0.00 175.26 176.06 1rca s THR 3 N 1.27 3.29 0.29 -1.70 -4.23 -1.26 -4.85 115.64 108.45 1rca s THR 3 Ca 0.73 0.42 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 1rca s THR 3 Cb -0.47 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.41 1rca s THR 3 CO 0.32 -0.55 1.79 0.00 -0.54 0.00 0.00 174.62 175.64 1rca h ALA 4 N -1.08 1.20 -0.45 3.99 0.00 -1.95 0.16 119.26 121.12 1rca h ALA 4 Ca -0.46 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.06 1rca h ALA 4 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1rca h ALA 4 CO 0.57 0.52 -0.20 0.00 0.00 0.00 0.00 179.25 180.14 1rca h ALA 5 N 1.36 0.64 -0.42 0.00 0.00 -1.91 -2.05 119.26 116.88 1rca h ALA 5 Ca 0.10 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1rca h ALA 5 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rca h ALA 5 CO 0.03 0.61 -0.16 0.00 0.00 0.00 0.00 179.25 179.73 1rca h ALA 6 N 0.85 0.58 -1.00 0.00 0.00 -1.83 -2.63 119.26 115.23 1rca h ALA 6 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1rca h ALA 6 Cb 0.77 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1rca h ALA 6 CO 0.06 0.51 0.66 -0.22 0.00 0.00 0.00 179.25 180.26 1rca h LYS 7 N 0.66 1.27 -0.57 0.00 3.64 -0.53 -1.35 116.57 119.69 1rca h LYS 7 Ca 0.10 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1rca h LYS 7 Cb 0.71 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1rca h LYS 7 CO 0.05 0.84 0.37 0.35 -2.27 0.00 0.00 179.45 178.79 1rca h PHE 8 N 1.31 0.74 -0.47 1.91 3.57 -1.25 -0.21 116.94 122.54 1rca h PHE 8 Ca 0.38 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1rca h PHE 8 Cb -0.08 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1rca h PHE 8 CO -0.00 0.49 0.13 0.93 -2.23 0.00 0.00 178.31 177.63 1rca h GLU 9 N 0.78 0.74 -0.48 1.11 5.08 -0.99 0.10 114.58 120.91 1rca h GLU 9 Ca 0.21 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1rca h GLU 9 Cb -0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1rca h GLU 9 CO -0.04 0.72 0.24 -0.09 -1.00 0.00 0.00 179.01 178.83 1rca h ARG 10 N 0.63 0.70 0.00 2.33 2.43 -1.03 -2.12 114.38 117.32 1rca h ARG 10 Ca 0.15 -0.10 -0.20 0.00 -0.81 0.00 0.00 59.98 59.02 1rca h ARG 10 Cb 0.30 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1rca h ARG 10 CO -0.00 0.58 -0.99 1.96 -1.51 0.00 0.00 179.97 180.01 1rca h GLN 11 N 0.64 0.00 0.00 0.20 4.20 -0.98 -3.42 115.11 115.75 1rca h GLN 11 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1rca h GLN 11 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1rca h GLN 11 CO -0.02 0.87 0.00 0.72 -0.67 0.00 0.00 178.83 179.72 1rca n HIS 12 N -3.30 0.00 -4.04 2.96 8.25 0.02 -4.74 115.22 114.37 1rca n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 1rca n HIS 12 Cb 0.91 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.96 1rca n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rca s MET 13 N -0.40 3.26 -0.46 -0.41 -1.94 -0.80 0.30 119.30 118.86 1rca s MET 13 Ca 0.00 -0.29 0.07 0.00 -1.71 0.00 0.00 55.69 53.76 1rca s MET 13 Cb 0.00 -3.02 0.24 0.00 2.01 0.00 0.00 34.83 34.06 1rca s MET 13 CO 0.00 0.72 0.76 -3.47 -0.01 0.00 0.00 175.02 173.02 1rca n ASP 14 N 1.71 -1.87 0.09 3.03 2.03 -0.55 -4.82 116.55 116.16 1rca n ASP 14 Ca -0.17 -3.08 0.12 0.00 0.52 0.00 0.00 54.79 52.17 1rca n ASP 14 Cb 0.54 0.99 0.45 0.00 -0.72 0.00 0.00 41.12 42.38 1rca n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1rca n SER 15 N 1.61 0.54 -0.12 1.67 7.64 -1.26 -3.60 113.62 120.11 1rca n SER 15 Ca 0.13 0.60 0.13 0.00 1.01 0.00 0.00 58.87 60.74 1rca n SER 15 Cb 0.59 -0.73 0.36 0.00 -1.01 0.00 0.00 64.21 63.43 1rca n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1rca n SER 16 N -2.06 0.69 -4.10 6.43 3.41 -1.26 -4.85 113.62 111.88 1rca n SER 16 Ca 0.04 -0.51 -0.18 0.00 -0.26 0.00 0.00 58.87 57.95 1rca n SER 16 Cb 0.28 0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.22 1rca n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rca s THR 17 N -2.73 0.89 -0.16 6.66 -4.23 -1.24 -5.06 115.64 109.78 1rca s THR 17 Ca 0.19 -0.86 0.21 0.00 -1.18 0.00 0.00 61.69 60.04 1rca s THR 17 Cb 0.19 -0.82 -0.13 0.00 1.34 0.00 0.00 72.50 73.08 1rca s THR 17 CO 0.59 -0.03 0.80 -0.24 -0.54 0.00 0.00 174.62 175.20 1rca n SER 18 N 2.04 0.62 -3.61 3.99 2.88 -1.26 -4.73 113.62 113.55 1rca n SER 18 Ca -0.18 0.25 -0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1rca n SER 18 Cb 0.55 0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 64.74 1rca n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rca s ALA 19 N -3.23 -1.87 0.17 -1.46 0.00 -1.26 -4.84 121.76 109.27 1rca s ALA 19 Ca -0.03 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 1rca s ALA 19 Cb 0.10 0.39 -0.08 0.00 0.00 0.00 0.00 23.12 23.53 1rca s ALA 19 CO 0.82 -0.83 1.27 0.00 0.00 0.00 0.00 175.76 177.02 1rca s ALA 20 N -2.96 3.49 -0.24 0.00 0.00 -1.26 -4.93 121.76 115.86 1rca s ALA 20 Ca 0.09 1.03 0.22 0.00 0.00 0.00 0.00 51.96 53.30 1rca s ALA 20 Cb -0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1rca s ALA 20 CO -0.04 -0.48 1.08 0.66 0.00 0.00 0.00 175.76 176.97 1rca h SER 21 N 5.62 0.00 -5.04 0.00 4.64 -2.00 -3.49 113.55 113.28 1rca h SER 21 Ca -0.44 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.93 1rca h SER 21 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1rca h SER 21 CO 0.78 0.05 0.28 -0.94 -0.87 0.00 0.00 176.83 176.12 1rca s SER 22 N -5.47 -0.16 0.29 4.97 1.04 -1.26 -5.03 113.70 108.08 1rca s SER 22 Ca -0.00 -0.78 0.22 0.00 0.48 0.00 0.00 55.95 55.87 1rca s SER 22 Cb 0.09 0.74 1.07 0.00 0.10 0.00 0.00 66.02 68.03 1rca s SER 22 CO 0.78 -1.42 1.67 -1.54 0.98 0.00 0.00 173.24 173.71 1rca n SER 23 N -0.80 0.59 -0.59 7.02 3.41 -1.26 -2.52 113.62 119.47 1rca n SER 23 Ca -0.06 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1rca n SER 23 Cb 0.59 -0.82 0.42 0.00 -0.26 0.00 0.00 64.21 64.15 1rca n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rca n ASN 24 N -2.23 1.84 -0.11 4.04 4.13 -1.26 -4.43 115.26 117.24 1rca n ASN 24 Ca 0.00 -1.62 -0.05 0.00 1.68 0.00 0.00 54.58 54.58 1rca n ASN 24 Cb 0.11 -0.02 0.01 0.00 -1.54 0.00 0.00 39.78 38.35 1rca n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1rca h TYR 25 N 2.83 -0.35 -0.20 3.10 3.20 -1.90 -1.16 116.97 122.49 1rca h TYR 25 Ca 0.00 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1rca h TYR 25 Cb 0.60 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1rca h TYR 25 CO 0.02 -0.22 0.06 0.00 -1.64 0.00 0.00 178.16 176.37 1rca h ASN 27 N 0.15 0.55 0.24 0.00 -0.26 -1.74 -0.13 115.58 114.39 1rca h ASN 27 Ca 0.07 0.04 -0.29 0.00 -0.56 0.00 0.00 56.30 55.56 1rca h ASN 27 Cb 0.24 -0.07 0.02 0.00 -1.06 0.00 0.00 38.32 37.46 1rca h ASN 27 CO -0.00 0.34 -1.21 1.56 -1.06 0.00 0.00 177.43 177.06 1rca h GLN 28 N 0.68 0.54 -0.23 0.81 4.20 -0.89 -3.08 115.11 117.13 1rca h GLN 28 Ca 0.32 -0.72 -0.12 0.00 0.06 0.00 0.00 58.65 58.19 1rca h GLN 28 Cb 0.24 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1rca h GLN 28 CO -0.21 1.32 -0.34 0.52 -0.67 0.00 0.00 178.83 179.44 1rca h MET 29 N 0.24 0.50 -0.70 1.46 2.86 -0.26 -1.59 114.93 117.43 1rca h MET 29 Ca -0.17 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.23 1rca h MET 29 Cb 1.88 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.50 1rca h MET 29 CO 0.22 0.78 0.38 0.52 1.06 0.00 0.00 176.91 179.87 1rca h MET 30 N 0.42 0.98 0.06 1.72 2.86 -1.10 -0.34 114.93 119.54 1rca h MET 30 Ca 0.05 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1rca h MET 30 Cb 0.80 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1rca h MET 30 CO 0.07 0.74 -0.03 -0.22 1.06 0.00 0.00 176.91 178.52 1rca h LYS 31 N 0.96 -0.08 -0.08 1.72 1.63 -1.43 -0.95 116.57 118.34 1rca h LYS 31 Ca 0.25 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1rca h LYS 31 Cb 0.05 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1rca h LYS 31 CO -0.04 0.43 -0.04 0.66 -3.45 0.00 0.00 179.45 177.01 1rca h SER 32 N -0.65 0.11 -0.30 4.20 4.64 -1.23 -0.80 113.55 119.51 1rca h SER 32 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1rca h SER 32 Cb 0.55 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1rca h SER 32 CO 0.01 0.17 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 1rca n ARG 33 N -4.42 1.73 -2.55 4.77 5.12 -0.14 -4.89 116.66 116.28 1rca n ARG 33 Ca -0.02 -1.13 -0.12 0.00 -1.93 0.00 0.00 57.85 54.65 1rca n ARG 33 Cb 0.16 -1.26 0.01 0.00 -1.16 0.00 0.00 32.46 30.22 1rca n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rca n ASN 34 N 0.41 -3.96 -0.47 0.55 3.02 -0.31 -4.86 115.26 109.66 1rca n ASN 34 Ca 0.11 -0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 1rca n ASN 34 Cb 0.27 -2.94 0.47 0.00 -0.61 0.00 0.00 39.78 36.97 1rca n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1rca n LEU 35 N -2.13 1.42 -0.03 3.41 4.77 -0.37 -3.91 117.00 120.16 1rca n LEU 35 Ca -0.08 -0.55 0.03 0.00 -0.03 0.00 0.00 56.01 55.38 1rca n LEU 35 Cb 0.58 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 1rca n LEU 35 CO 0.23 0.27 0.51 0.35 -1.33 0.00 0.00 177.39 177.42 1rca n THR 36 N 0.13 1.23 0.13 -5.08 -2.24 -1.24 -3.57 114.28 103.64 1rca n THR 36 Ca 0.17 -1.36 -0.14 0.00 -2.27 0.00 0.00 64.05 60.46 1rca n THR 36 Cb 0.31 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 1rca n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rca h LYS 37 N 0.00 -0.30 0.00 -0.78 1.79 -1.92 -3.33 116.57 112.04 1rca h LYS 37 Ca 0.00 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 1rca h LYS 37 Cb 0.71 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1rca h LYS 37 CO 0.00 -0.03 -1.70 -0.25 -1.08 0.00 0.00 179.45 176.39 1rca n ASP 38 N -5.12 0.32 0.00 0.86 8.00 -1.26 -5.04 116.55 114.31 1rca n ASP 38 Ca -0.09 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1rca n ASP 38 Cb 0.22 1.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.62 1rca n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1rca n ARG 39 N -2.48 0.00 -2.51 -1.24 1.85 -1.25 -5.11 116.66 105.92 1rca n ARG 39 Ca -0.06 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.36 1rca n ARG 39 Cb 0.64 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 32.03 1rca n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rca s LYS 41 N 4.76 4.15 0.29 0.00 2.20 -1.23 -4.90 119.74 125.00 1rca s LYS 41 Ca 0.51 2.48 0.07 0.00 -0.36 0.00 0.00 55.97 58.67 1rca s LYS 41 Cb -0.09 -4.11 0.43 0.00 -1.51 0.00 0.00 37.83 32.55 1rca s LYS 41 CO 0.31 -0.93 1.68 -1.00 -0.36 0.00 0.00 175.35 175.05 1rca h PRO 42 N 10.29 0.22 -3.66 4.03 0.13 -1.93 -3.44 132.00 137.63 1rca h PRO 42 Ca -0.46 -0.11 -0.23 0.00 -0.87 0.00 0.00 66.00 64.33 1rca h PRO 42 Cb 1.22 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 1rca h PRO 42 CO 0.94 0.63 -0.69 0.08 -0.23 0.00 0.00 178.00 178.74 1rca s VAL 43 N -4.05 -0.00 -0.28 1.56 1.01 -1.26 -1.28 120.40 116.10 1rca s VAL 43 Ca -0.04 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 1rca s VAL 43 Cb 0.13 -0.05 0.09 0.00 0.00 0.00 0.00 36.38 36.55 1rca s VAL 43 CO 0.77 0.00 0.79 0.21 0.00 0.00 0.00 175.10 176.88 1rca s ASN 44 N 0.06 -0.73 -0.10 3.32 2.47 -0.55 -5.02 114.94 114.38 1rca s ASN 44 Ca -0.00 1.30 -0.00 0.00 0.42 0.00 0.00 52.86 54.58 1rca s ASN 44 Cb -0.01 1.32 -0.03 0.00 -1.45 0.00 0.00 41.25 41.08 1rca s ASN 44 CO -0.00 -0.22 -0.07 -0.89 -3.72 0.00 0.00 177.10 172.20 1rca s THR 45 N 0.83 3.62 -0.06 -5.21 2.01 -1.26 -1.52 115.64 114.05 1rca s THR 45 Ca -0.03 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 1rca s THR 45 Cb -0.05 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1rca s THR 45 CO -0.08 0.56 0.10 -0.36 -0.69 0.00 0.00 174.62 174.15 1rca s PHE 46 N -0.32 3.42 -0.13 4.92 0.08 -0.17 -4.50 117.98 121.28 1rca s PHE 46 Ca 0.04 0.35 0.01 0.00 0.12 0.00 0.00 56.93 57.45 1rca s PHE 46 Cb -0.13 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1rca s PHE 46 CO 0.02 0.62 -0.17 0.08 -0.10 0.00 0.00 175.22 175.68 1rca s VAL 47 N -1.10 2.66 -1.04 -0.44 1.01 0.15 -2.18 120.40 119.46 1rca s VAL 47 Ca 0.19 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 1rca s VAL 47 Cb -0.12 -2.09 0.31 0.00 0.00 0.00 0.00 36.38 34.48 1rca s VAL 47 CO 0.09 0.53 1.81 1.41 0.00 0.00 0.00 175.10 178.94 1rca n HIS 48 N 3.68 2.70 -4.23 5.22 8.25 0.09 -1.48 115.22 129.45 1rca n HIS 48 Ca -0.19 -2.57 -0.13 0.00 -0.26 0.00 0.00 57.72 54.58 1rca n HIS 48 Cb 0.52 -1.22 -0.10 0.00 1.12 0.00 0.00 29.99 30.31 1rca n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1rca s GLU 49 N -4.08 1.09 0.45 -0.41 0.41 -1.26 -4.55 118.70 110.35 1rca s GLU 49 Ca 0.38 -1.53 -0.23 0.00 -0.41 0.00 0.00 54.97 53.19 1rca s GLU 49 Cb 0.17 -0.18 -0.08 0.00 -1.78 0.00 0.00 34.13 32.27 1rca s GLU 49 CO -0.10 -0.16 1.13 -1.54 -0.49 0.00 0.00 175.26 174.10 1rca s SER 50 N -3.16 6.30 0.29 -0.19 1.04 -1.26 -4.16 113.70 112.56 1rca s SER 50 Ca 0.24 2.23 -0.01 0.00 0.48 0.00 0.00 55.95 58.89 1rca s SER 50 Cb 0.06 -2.60 0.45 0.00 0.10 0.00 0.00 66.02 64.04 1rca s SER 50 CO 0.04 -0.82 1.92 0.25 0.98 0.00 0.00 173.24 175.60 1rca h LEU 51 N 2.11 0.98 -1.48 2.42 5.85 -1.98 -1.05 115.31 122.15 1rca h LEU 51 Ca -0.49 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1rca h LEU 51 Cb 1.24 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1rca h LEU 51 CO 0.60 0.65 0.39 0.00 -0.34 0.00 0.00 178.44 179.75 1rca h ALA 52 N 1.47 1.70 0.00 1.25 0.00 -1.99 -0.58 119.26 121.11 1rca h ALA 52 Ca 0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1rca h ALA 52 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rca h ALA 52 CO -0.13 0.24 -0.27 -0.44 0.00 0.00 0.00 179.25 178.65 1rca h ASP 53 N 0.68 0.00 0.36 0.00 3.32 -1.56 -2.59 116.42 116.63 1rca h ASP 53 Ca 0.23 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.96 1rca h ASP 53 Cb 0.09 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1rca h ASP 53 CO -0.06 0.27 -1.56 0.58 -1.72 0.00 0.00 179.24 176.75 1rca h VAL 54 N 0.00 1.15 -0.29 -1.35 2.07 -1.15 -3.28 116.25 113.40 1rca h VAL 54 Ca -0.00 -2.72 -0.04 0.00 0.82 0.00 0.00 66.70 64.76 1rca h VAL 54 Cb 1.14 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.73 1rca h VAL 54 CO 0.03 0.84 0.02 1.56 0.02 0.00 0.00 177.57 180.04 1rca h GLN 55 N 0.10 0.43 0.00 1.57 4.20 -1.12 -2.11 115.11 118.17 1rca h GLN 55 Ca -0.26 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1rca h GLN 55 Cb 2.07 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.78 1rca h GLN 55 CO 0.19 0.44 -0.02 0.00 -0.67 0.00 0.00 178.83 178.77 1rca h ALA 56 N 1.61 1.11 0.00 3.87 0.00 -1.52 -2.67 119.26 121.66 1rca h ALA 56 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rca h ALA 56 Cb 0.25 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rca h ALA 56 CO 0.00 0.03 -0.01 0.28 0.00 0.00 0.00 179.25 179.55 1rca h VAL 57 N 0.00 0.06 0.00 0.00 2.07 -1.47 -1.86 116.25 115.05 1rca h VAL 57 Ca -0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1rca h VAL 57 Cb 0.16 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1rca h VAL 57 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1rca n SER 59 N -1.35 2.64 0.00 0.00 3.41 -0.70 -5.01 113.62 112.61 1rca n SER 59 Ca 0.06 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 1rca n SER 59 Cb 0.13 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1rca n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rca n GLN 60 N -1.25 3.02 -2.12 4.33 6.02 -0.43 -5.01 117.38 121.94 1rca n GLN 60 Ca 0.17 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.73 1rca n GLN 60 Cb 0.68 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.92 1rca n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rca s LYS 61 N 4.97 3.32 0.12 -1.09 2.20 -1.20 -4.86 119.74 123.21 1rca s LYS 61 Ca 0.00 1.15 -0.31 0.00 -0.36 0.00 0.00 55.97 56.45 1rca s LYS 61 Cb 0.00 -4.17 -0.07 0.00 -1.51 0.00 0.00 37.83 32.08 1rca s LYS 61 CO 0.00 -1.88 1.29 1.21 -0.36 0.00 0.00 175.35 175.61 1rca s ASN 62 N 5.62 6.95 0.13 1.43 3.04 -1.26 0.33 114.94 131.18 1rca s ASN 62 Ca 0.72 2.23 -0.09 0.00 0.04 0.00 0.00 52.86 55.76 1rca s ASN 62 Cb -0.18 -2.59 -0.01 0.00 -1.54 0.00 0.00 41.25 36.93 1rca s ASN 62 CO 0.31 -0.54 0.24 0.68 -3.04 0.00 0.00 177.10 174.76 1rca s VAL 63 N 0.75 0.10 0.09 -5.21 -7.23 0.52 -4.89 120.40 104.52 1rca s VAL 63 Ca 0.60 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 1rca s VAL 63 Cb -0.34 -1.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.90 1rca s VAL 63 CO 0.32 -0.44 1.10 0.00 -0.31 0.00 0.00 175.10 175.77 1rca s ALA 64 N -3.93 3.32 1.03 1.32 0.00 -1.26 -2.81 121.76 119.44 1rca s ALA 64 Ca 0.12 0.75 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1rca s ALA 64 Cb 0.04 -3.38 0.21 0.00 0.00 0.00 0.00 23.12 19.99 1rca s ALA 64 CO -0.04 -0.28 1.07 0.00 0.00 0.00 0.00 175.76 176.50 1rca h LYS 66 N -2.13 0.88 -0.09 0.00 3.11 -1.93 -2.28 116.57 114.13 1rca h LYS 66 Ca -0.54 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.24 1rca h LYS 66 Cb 1.31 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1rca h LYS 66 CO 0.51 0.58 0.00 0.27 -2.81 0.00 0.00 179.45 178.00 1rca n ASN 67 N -4.44 0.87 0.00 4.20 2.04 -1.26 -4.95 115.26 111.73 1rca n ASN 67 Ca 0.07 -1.58 0.00 0.00 -0.44 0.00 0.00 54.58 52.63 1rca n ASN 67 Cb 0.05 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 1rca n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1rca n GLY 68 N 0.96 2.44 3.71 4.83 0.00 -0.86 -5.06 105.19 111.20 1rca n GLY 68 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1rca n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rca n GLN 69 N -0.07 0.66 -0.55 1.61 6.02 -1.26 -4.57 117.38 119.22 1rca n GLN 69 Ca 0.00 0.29 0.08 0.00 -0.01 0.00 0.00 57.00 57.36 1rca n GLN 69 Cb 0.00 -2.48 0.29 0.00 1.02 0.00 0.00 30.24 29.07 1rca n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rca n THR 70 N -2.58 2.33 -1.31 5.09 -2.24 -1.26 0.40 114.28 114.70 1rca n THR 70 Ca 0.15 -1.71 -0.25 0.00 -2.27 0.00 0.00 64.05 59.97 1rca n THR 70 Cb 0.49 -0.21 0.15 0.00 -2.10 0.00 0.00 70.33 68.66 1rca n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rca n ASN 71 N -0.14 4.75 -4.92 3.42 2.04 -1.26 -4.75 115.26 114.40 1rca n ASN 71 Ca 0.23 -3.69 -0.31 0.00 -0.44 0.00 0.00 54.58 50.37 1rca n ASN 71 Cb 0.94 -0.84 -0.04 0.00 -2.53 0.00 0.00 39.78 37.31 1rca n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1rca s TYR 73 N -1.50 0.05 -0.08 0.00 2.02 -0.14 -0.35 117.35 117.36 1rca s TYR 73 Ca 0.34 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1rca s TYR 73 Cb -0.13 -0.04 -0.02 0.00 -0.40 0.00 0.00 41.96 41.37 1rca s TYR 73 CO 0.27 -0.04 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.92 1rca s GLN 74 N -0.32 2.79 0.29 -0.62 0.74 0.15 -2.02 119.66 120.67 1rca s GLN 74 Ca -0.03 -0.71 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 1rca s GLN 74 Cb -0.02 -2.44 -0.11 0.00 1.10 0.00 0.00 33.01 31.54 1rca s GLN 74 CO -0.00 0.47 1.52 -1.54 -0.55 0.00 0.00 175.29 175.19 1rca s SER 75 N -0.33 6.47 0.29 6.67 1.04 -0.44 -3.25 113.70 124.15 1rca s SER 75 Ca 0.03 2.86 0.04 0.00 0.48 0.00 0.00 55.95 59.36 1rca s SER 75 Cb -0.13 -2.64 0.43 0.00 0.10 0.00 0.00 66.02 63.79 1rca s SER 75 CO 0.02 -0.83 1.71 1.88 0.98 0.00 0.00 173.24 177.01 1rca h TYR 76 N 4.62 0.44 -1.83 5.02 0.05 -1.96 -3.45 116.97 119.87 1rca h TYR 76 Ca -0.47 -0.10 -0.57 0.00 0.05 0.00 0.00 58.73 57.63 1rca h TYR 76 Cb 1.22 -0.10 -0.10 0.00 1.01 0.00 0.00 36.73 38.76 1rca h TYR 76 CO 0.58 0.66 -0.57 -1.54 -1.05 0.00 0.00 178.16 176.24 1rca s SER 77 N -6.84 4.33 0.64 3.88 1.04 -1.26 -5.07 113.70 110.42 1rca s SER 77 Ca -0.06 -0.98 -0.11 0.00 0.48 0.00 0.00 55.95 55.28 1rca s SER 77 Cb 0.14 -0.56 -0.03 0.00 0.10 0.00 0.00 66.02 65.67 1rca s SER 77 CO 0.78 -0.33 1.04 0.42 0.98 0.00 0.00 173.24 176.14 1rca s THR 78 N -2.52 4.45 0.17 2.02 -4.23 -1.26 -4.52 115.64 109.74 1rca s THR 78 Ca 0.37 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.69 1rca s THR 78 Cb 0.01 -3.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 1rca s THR 78 CO 0.21 -1.04 -0.00 -0.04 -0.54 0.00 0.00 174.62 173.20 1rca s MET 79 N -5.19 1.09 -0.20 3.99 -1.94 0.22 -4.88 119.30 112.40 1rca s MET 79 Ca 0.56 -1.52 -0.24 0.00 -1.71 0.00 0.00 55.69 52.78 1rca s MET 79 Cb -0.11 -0.27 -0.01 0.00 2.01 0.00 0.00 34.83 36.44 1rca s MET 79 CO 0.54 -0.12 0.78 0.45 -0.01 0.00 0.00 175.02 176.66 1rca s SER 80 N -3.16 6.86 0.10 3.03 0.15 -1.26 -2.00 113.70 117.41 1rca s SER 80 Ca 0.23 1.05 0.03 0.00 0.70 0.00 0.00 55.95 57.96 1rca s SER 80 Cb 0.06 -2.42 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1rca s SER 80 CO 0.03 -0.41 -0.09 0.27 1.20 0.00 0.00 173.24 174.25 1rca s ILE 81 N 2.31 0.86 -0.16 6.45 -4.36 -0.81 -0.73 121.20 124.76 1rca s ILE 81 Ca 0.35 -1.79 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1rca s ILE 81 Cb -0.16 -1.52 0.02 0.00 1.25 0.00 0.00 42.46 42.05 1rca s ILE 81 CO 0.10 -0.71 -0.18 -0.89 0.24 0.00 0.00 174.94 173.51 1rca s THR 82 N -2.99 1.83 -0.19 8.37 2.01 -0.93 -0.73 115.64 123.01 1rca s THR 82 Ca 0.09 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.16 1rca s THR 82 Cb 0.01 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1rca s THR 82 CO -0.02 0.50 0.24 -0.62 -0.69 0.00 0.00 174.62 174.04 1rca s ASP 83 N 1.27 6.33 -0.21 3.53 -1.08 0.56 -0.99 116.67 126.07 1rca s ASP 83 Ca 0.02 0.38 -0.00 0.00 -0.52 0.00 0.00 52.55 52.43 1rca s ASP 83 Cb -0.13 -2.15 0.02 0.00 -1.46 0.00 0.00 42.92 39.19 1rca s ASP 83 CO -0.10 0.09 -0.12 0.00 0.52 0.00 0.00 175.17 175.56 1rca s ARG 85 N 1.32 0.98 0.33 0.00 1.70 -1.04 -1.49 118.95 120.76 1rca s ARG 85 Ca 0.03 -0.34 -0.28 0.00 -0.47 0.00 0.00 55.73 54.67 1rca s ARG 85 Cb -0.15 -0.92 -0.13 0.00 -0.57 0.00 0.00 34.95 33.19 1rca s ARG 85 CO -0.08 0.14 1.20 -1.91 -1.08 0.00 0.00 175.30 173.57 1rca n GLU 86 N 3.19 1.88 -3.31 3.89 2.13 -0.41 -0.65 120.64 127.37 1rca n GLU 86 Ca -0.17 0.66 -0.19 0.00 0.66 0.00 0.00 57.16 58.12 1rca n GLU 86 Cb 0.55 -2.19 -0.01 0.00 0.27 0.00 0.00 31.44 30.06 1rca n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1rca s THR 87 N -1.09 3.21 0.49 6.31 -4.23 0.28 -4.77 115.64 115.84 1rca s THR 87 Ca 0.57 -1.11 0.21 0.00 -1.18 0.00 0.00 61.69 60.18 1rca s THR 87 Cb -0.60 -3.11 0.37 0.00 1.34 0.00 0.00 72.50 70.50 1rca s THR 87 CO 0.61 -0.05 1.99 1.23 -0.54 0.00 0.00 174.62 177.86 1rca h GLY 88 N 0.84 0.23 -2.30 3.99 0.00 -1.95 0.16 103.07 104.03 1rca h GLY 88 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rca h GLY 88 CO 0.51 0.03 0.00 -1.14 0.00 0.00 0.00 176.54 175.93 1rca n SER 89 N -4.42 3.36 -4.70 0.19 3.41 -1.26 -4.93 113.62 105.27 1rca n SER 89 Ca 0.10 -2.03 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 1rca n SER 89 Cb 0.52 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1rca n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rca s SER 90 N -0.99 6.86 -0.25 4.04 0.15 0.54 -4.77 113.70 119.28 1rca s SER 90 Ca 0.41 2.19 -0.02 0.00 0.70 0.00 0.00 55.95 59.24 1rca s SER 90 Cb 0.22 -2.57 0.14 0.00 -1.71 0.00 0.00 66.02 62.09 1rca s SER 90 CO 0.28 -0.67 0.37 -0.75 1.20 0.00 0.00 173.24 173.67 1rca s LYS 91 N 1.72 0.35 -0.01 5.44 2.20 -0.87 -4.88 119.74 123.70 1rca s LYS 91 Ca 0.64 0.40 -0.38 0.00 -0.36 0.00 0.00 55.97 56.26 1rca s LYS 91 Cb -0.33 -0.50 -0.18 0.00 -1.51 0.00 0.00 37.83 35.31 1rca s LYS 91 CO 0.28 -0.74 1.33 0.98 -0.36 0.00 0.00 175.35 176.85 1rca n TYR 92 N 5.36 1.37 1.68 4.03 9.36 -1.26 -0.02 117.16 137.67 1rca n TYR 92 Ca -0.03 0.76 0.15 0.00 3.32 0.00 0.00 57.90 62.10 1rca n TYR 92 Cb 0.50 -2.28 0.68 0.00 -0.63 0.00 0.00 39.34 37.61 1rca n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rca n PRO 93 N 2.67 1.38 -2.61 2.98 -0.04 -1.26 -4.96 135.00 133.16 1rca n PRO 93 Ca 0.20 -0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 62.65 1rca n PRO 93 Cb 0.14 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1rca n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rca n ASN 94 N -0.30 5.34 -4.75 3.54 5.03 0.98 -4.99 115.26 120.10 1rca n ASN 94 Ca 0.21 -3.13 -0.41 0.00 0.87 0.00 0.00 54.58 52.12 1rca n ASN 94 Cb 0.26 -1.46 -0.03 0.00 -1.02 0.00 0.00 39.78 37.53 1rca n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rca s ALA 96 N -0.76 1.69 0.18 0.00 0.00 -1.26 -4.90 121.76 116.70 1rca s ALA 96 Ca 0.49 -0.71 0.09 0.00 0.00 0.00 0.00 51.96 51.83 1rca s ALA 96 Cb -0.35 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1rca s ALA 96 CO 0.44 0.23 -0.18 0.71 0.00 0.00 0.00 175.76 176.96 1rca s TYR 97 N 0.36 1.82 -0.18 0.00 2.02 -1.26 -0.56 117.35 119.56 1rca s TYR 97 Ca -0.13 -0.48 -0.07 0.00 -0.37 0.00 0.00 57.07 56.02 1rca s TYR 97 Cb -0.15 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 1rca s TYR 97 CO 0.05 0.35 0.07 0.21 -1.57 0.00 0.00 175.55 174.67 1rca s LYS 98 N -2.98 3.93 -0.19 -0.62 2.47 0.18 -4.67 119.74 117.86 1rca s LYS 98 Ca 0.18 -0.32 -0.17 0.00 -1.56 0.00 0.00 55.97 54.09 1rca s LYS 98 Cb -0.05 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 33.07 1rca s LYS 98 CO 0.07 0.32 0.44 0.99 0.16 0.00 0.00 175.35 177.34 1rca s THR 99 N 0.23 5.17 -0.22 3.43 2.01 -1.26 -2.48 115.64 122.52 1rca s THR 99 Ca 0.05 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 1rca s THR 99 Cb -0.12 -3.77 0.06 0.00 0.01 0.00 0.00 72.50 68.68 1rca s THR 99 CO 0.00 0.23 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.25 1rca s THR 100 N 1.36 1.17 0.05 -0.82 2.01 0.08 -4.99 115.64 114.50 1rca s THR 100 Ca 0.21 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 61.06 1rca s THR 100 Cb -0.15 -1.51 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 1rca s THR 100 CO 0.09 -0.12 0.57 -1.58 -0.69 0.00 0.00 174.62 172.89 1rca s GLN 101 N 1.56 4.22 0.31 4.92 2.00 -1.26 -0.32 119.66 131.08 1rca s GLN 101 Ca -0.04 0.72 -0.19 0.00 -2.00 0.00 0.00 55.36 53.86 1rca s GLN 101 Cb -0.18 -3.26 0.06 0.00 0.80 0.00 0.00 33.01 30.43 1rca s GLN 101 CO -0.07 0.58 0.87 0.00 -0.50 0.00 0.00 175.29 176.17 1rca s ALA 102 N -0.89 -1.08 -0.20 1.58 0.00 0.09 -4.99 121.76 116.27 1rca s ALA 102 Ca 0.29 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1rca s ALA 102 Cb -0.19 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.68 1rca s ALA 102 CO 0.18 -1.02 -0.13 -0.80 0.00 0.00 0.00 175.76 173.99 1rca s ASN 103 N -3.15 3.49 0.28 0.00 -0.87 -1.26 -1.92 114.94 111.51 1rca s ASN 103 Ca 0.17 -0.90 -0.08 0.00 -1.57 0.00 0.00 52.86 50.48 1rca s ASN 103 Cb -0.04 -1.36 -0.01 0.00 -0.02 0.00 0.00 41.25 39.82 1rca s ASN 103 CO 0.09 -0.11 0.44 -0.54 -2.57 0.00 0.00 177.10 174.41 1rca s LYS 104 N 1.31 1.65 0.50 -0.60 1.02 -0.85 -4.81 119.74 117.96 1rca s LYS 104 Ca -0.01 -1.48 -0.14 0.00 0.02 0.00 0.00 55.97 54.36 1rca s LYS 104 Cb -0.16 0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 37.52 1rca s LYS 104 CO -0.09 -0.67 0.92 -1.01 -0.92 0.00 0.00 175.35 173.58 1rca s HIS 105 N -3.65 3.49 0.06 3.18 3.76 0.20 -0.61 115.29 121.71 1rca s HIS 105 Ca 0.27 1.30 0.05 0.00 -0.15 0.00 0.00 55.06 56.53 1rca s HIS 105 Cb 0.00 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1rca s HIS 105 CO 0.13 -0.33 -0.08 0.96 -0.85 0.00 0.00 174.74 174.57 1rca s ILE 106 N -2.63 3.54 -0.17 0.60 -4.36 -1.26 0.06 121.20 116.97 1rca s ILE 106 Ca 0.56 -1.04 0.01 0.00 -0.26 0.00 0.00 60.65 59.93 1rca s ILE 106 Cb -0.10 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.02 1rca s ILE 106 CO 0.35 0.23 -0.20 -0.63 0.24 0.00 0.00 174.94 174.93 1rca s ILE 107 N -1.13 2.07 0.25 8.37 1.01 0.13 -1.33 121.20 130.58 1rca s ILE 107 Ca 0.20 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1rca s ILE 107 Cb -0.11 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1rca s ILE 107 CO 0.12 0.54 -0.06 0.68 0.00 0.00 0.00 174.94 176.21 1rca s VAL 108 N 1.17 1.52 -0.09 2.92 -7.23 -0.86 0.00 120.40 117.83 1rca s VAL 108 Ca 0.02 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.05 1rca s VAL 108 Cb -0.14 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 1rca s VAL 108 CO -0.10 -0.37 0.01 0.00 -0.31 0.00 0.00 175.10 174.32 1rca s ALA 109 N -3.10 3.29 0.15 1.32 0.00 -0.78 -0.97 121.76 121.67 1rca s ALA 109 Ca 0.27 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.54 1rca s ALA 109 Cb 0.03 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 1rca s ALA 109 CO 0.10 0.55 -0.20 0.00 0.00 0.00 0.00 175.76 176.21 1rca s GLU 111 N -2.37 1.14 1.75 0.00 2.02 -0.50 -4.91 118.70 115.83 1rca s GLU 111 Ca 0.19 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1rca s GLU 111 Cb -0.09 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1rca s GLU 111 CO 0.10 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1rca n GLY 112 N -0.23 -1.40 2.68 -1.39 0.00 -1.26 -2.19 105.19 101.40 1rca n GLY 112 Ca -0.17 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 1rca n GLY 112 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rca s ASN 113 N -4.00 1.69 0.80 1.61 0.02 -1.26 -2.56 114.94 111.24 1rca s ASN 113 Ca 0.00 -0.27 -0.12 0.00 -1.02 0.00 0.00 52.86 51.45 1rca s ASN 113 Cb 0.00 -0.01 0.08 0.00 0.02 0.00 0.00 41.25 41.34 1rca s ASN 113 CO 0.00 -0.31 1.16 -2.84 0.02 0.00 0.00 177.10 175.13 1rca s PRO 114 N 2.21 1.78 -0.60 -0.60 0.02 -1.26 -5.07 135.00 131.48 1rca s PRO 114 Ca 0.04 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.35 1rca s PRO 114 Cb -0.15 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.57 1rca s PRO 114 CO -0.08 -2.07 1.51 -0.47 -0.33 0.00 0.00 177.00 175.56 1rca s TYR 115 N -2.40 2.11 0.29 6.54 5.04 -1.06 -4.91 117.35 122.97 1rca s TYR 115 Ca 0.69 0.44 0.06 0.00 -2.44 0.00 0.00 57.07 55.81 1rca s TYR 115 Cb -0.24 -4.36 -0.06 0.00 0.35 0.00 0.00 41.96 37.64 1rca s TYR 115 CO 0.51 -2.12 -0.03 0.14 -1.34 0.00 0.00 175.55 172.72 1rca s VAL 116 N 6.74 1.52 0.31 3.14 -7.23 -0.93 -4.84 120.40 119.11 1rca s VAL 116 Ca 0.53 -2.09 -0.29 0.00 -1.81 0.00 0.00 61.98 58.32 1rca s VAL 116 Cb -0.11 -2.53 -0.10 0.00 0.56 0.00 0.00 36.38 34.20 1rca s VAL 116 CO 0.22 -0.23 1.24 -2.84 -0.31 0.00 0.00 175.10 173.18 1rca s PRO 117 N -3.77 4.45 0.00 4.82 0.02 -1.26 -1.40 135.00 137.86 1rca s PRO 117 Ca 0.31 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1rca s PRO 117 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1rca s PRO 117 CO 0.13 -0.06 0.10 1.33 -0.33 0.00 0.00 177.00 178.16 1rca n VAL 118 N 1.04 0.00 -3.59 3.83 0.24 -0.33 -4.57 118.33 114.96 1rca n VAL 118 Ca -0.00 -0.22 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 1rca n VAL 118 Cb 0.43 1.24 -0.07 0.00 -1.47 0.00 0.00 33.84 33.97 1rca n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rca s HIS 119 N -0.25 -0.71 -0.26 6.34 5.65 -1.23 -4.70 115.29 120.13 1rca s HIS 119 Ca 0.00 1.54 -0.16 0.00 0.25 0.00 0.00 55.06 56.69 1rca s HIS 119 Cb 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 32.58 31.69 1rca s HIS 119 CO 0.00 -0.47 0.43 0.12 -0.65 0.00 0.00 174.74 174.17 1rca s PHE 120 N -0.31 3.26 -0.19 3.88 2.19 -1.26 -1.87 117.98 123.68 1rca s PHE 120 Ca -0.05 0.51 -0.18 0.00 0.33 0.00 0.00 56.93 57.54 1rca s PHE 120 Cb -0.03 -2.62 -0.15 0.00 -1.31 0.00 0.00 43.02 38.91 1rca s PHE 120 CO 0.05 -0.23 0.12 0.22 1.83 0.00 0.00 175.22 177.21 1rca h ASP 121 N 8.04 0.00 -5.00 6.13 3.58 -0.76 -3.49 116.42 124.92 1rca h ASP 121 Ca -0.31 -0.38 0.29 0.00 0.42 0.00 0.00 57.03 57.05 1rca h ASP 121 Cb 1.15 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 42.05 1rca h ASP 121 CO 0.68 1.27 0.81 0.00 -2.88 0.00 0.00 179.24 179.12 1rca s ALA 122 N -2.46 -2.14 -0.08 -0.78 0.00 -1.07 -4.96 121.76 110.27 1rca s ALA 122 Ca -0.24 1.13 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1rca s ALA 122 Cb 0.05 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1rca s ALA 122 CO 0.49 -0.82 -0.22 -1.54 0.00 0.00 0.00 175.76 173.66 1rca s SER 123 N -2.58 3.26 0.00 0.00 1.04 -1.26 -0.69 113.70 113.47 1rca s SER 123 Ca 0.12 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1rca s SER 123 Cb 0.02 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1rca s SER 123 CO -0.04 0.22 0.05 1.33 0.98 0.00 0.00 173.24 175.78