#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbb n GLU 2 N 0.00 0.00 -1.76 -1.58 2.13 -1.26 -4.86 120.64 113.31 1rbb n GLU 2 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1rbb n GLU 2 Cb 0.00 -1.29 0.04 0.00 0.27 0.00 0.00 31.44 30.45 1rbb n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1rbb s THR 3 N 0.72 3.78 0.29 6.31 -4.23 -1.26 -4.83 115.64 116.42 1rbb s THR 3 Ca 0.82 0.71 0.04 0.00 -1.18 0.00 0.00 61.69 62.08 1rbb s THR 3 Cb -1.15 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 69.67 1rbb s THR 3 CO 0.55 -0.62 1.79 0.00 -0.54 0.00 0.00 174.62 175.81 1rbb h ALA 4 N -0.18 1.60 0.05 3.99 0.00 -1.95 0.47 119.26 123.24 1rbb h ALA 4 Ca -0.45 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1rbb h ALA 4 Cb 1.22 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1rbb h ALA 4 CO 0.56 0.04 -0.58 0.00 0.00 0.00 0.00 179.25 179.26 1rbb h ALA 5 N 1.61 0.00 -0.94 0.00 0.00 -1.87 0.97 119.26 119.04 1rbb h ALA 5 Ca 0.55 -0.59 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1rbb h ALA 5 Cb 0.76 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1rbb h ALA 5 CO -0.35 0.30 0.61 0.00 0.00 0.00 0.00 179.25 179.81 1rbb h ALA 6 N 0.21 2.09 -0.02 0.00 0.00 -1.84 0.83 119.26 120.52 1rbb h ALA 6 Ca -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rbb h ALA 6 Cb 1.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rbb h ALA 6 CO 0.11 -0.40 -0.03 -0.22 0.00 0.00 0.00 179.25 178.71 1rbb h LYS 7 N 0.49 0.06 -0.64 0.00 3.64 0.10 -0.53 116.57 119.68 1rbb h LYS 7 Ca 0.50 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.98 1rbb h LYS 7 Cb 1.13 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 1rbb h LYS 7 CO -0.22 0.57 0.08 0.35 -2.27 0.00 0.00 179.45 177.96 1rbb h PHE 8 N -0.45 0.11 -0.65 1.91 3.57 0.17 0.78 116.94 122.38 1rbb h PHE 8 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1rbb h PHE 8 Cb 0.57 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 1rbb h PHE 8 CO 0.11 -0.11 0.34 0.93 -2.23 0.00 0.00 178.31 177.35 1rbb h GLU 9 N 0.19 0.90 0.06 1.11 5.08 0.74 0.46 114.58 123.12 1rbb h GLU 9 Ca 0.35 -0.10 -0.26 0.00 -1.00 0.00 0.00 59.36 58.35 1rbb h GLU 9 Cb 0.56 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1rbb h GLU 9 CO -0.49 0.67 -1.09 -0.09 -1.00 0.00 0.00 179.01 177.01 1rbb h ARG 10 N 0.90 0.47 0.12 2.33 2.43 0.15 -2.37 114.38 118.41 1rbb h ARG 10 Ca 0.23 -0.58 -0.28 0.00 -0.81 0.00 0.00 59.98 58.54 1rbb h ARG 10 Cb 0.05 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1rbb h ARG 10 CO -0.03 1.22 -1.29 1.96 -1.51 0.00 0.00 179.97 180.32 1rbb h GLN 11 N 0.23 0.25 0.00 0.20 4.20 0.77 -3.43 115.11 117.33 1rbb h GLN 11 Ca -0.12 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.16 1rbb h GLN 11 Cb 1.75 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.69 1rbb h GLN 11 CO 0.19 1.18 -0.09 0.72 -0.67 0.00 0.00 178.83 180.16 1rbb n HIS 12 N -3.50 0.00 -1.78 2.96 -0.00 0.16 -4.76 115.22 108.30 1rbb n HIS 12 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.20 1rbb n HIS 12 Cb 1.02 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.98 1rbb n HIS 12 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1rbb s MET 13 N -0.49 4.16 -0.47 -0.41 1.75 -0.89 0.93 119.30 123.88 1rbb s MET 13 Ca 0.00 2.48 0.03 0.00 -1.25 0.00 0.00 55.69 56.96 1rbb s MET 13 Cb 0.00 -4.02 0.16 0.00 2.84 0.00 0.00 34.83 33.81 1rbb s MET 13 CO 0.00 -0.90 0.34 0.34 -0.65 0.00 0.00 175.02 174.15 1rbb s ASP 14 N 3.83 2.59 0.00 1.11 2.15 0.24 -4.79 116.67 121.80 1rbb s ASP 14 Ca 0.83 -3.06 0.26 0.00 0.43 0.00 0.00 52.55 51.01 1rbb s ASP 14 Cb -0.40 -0.75 0.70 0.00 -0.30 0.00 0.00 42.92 42.17 1rbb s ASP 14 CO 0.37 -0.18 1.53 -1.54 -0.17 0.00 0.00 175.17 175.18 1rbb n SER 15 N 2.91 1.17 -0.11 -0.34 3.41 -1.26 -3.44 113.62 115.96 1rbb n SER 15 Ca 0.23 -1.01 0.14 0.00 -0.26 0.00 0.00 58.87 57.97 1rbb n SER 15 Cb 0.42 0.16 0.52 0.00 -0.26 0.00 0.00 64.21 65.05 1rbb n SER 15 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1rbb n SER 16 N -0.51 0.52 -4.15 4.04 3.41 -1.26 -4.83 113.62 110.84 1rbb n SER 16 Ca 0.12 -0.48 -0.25 0.00 -0.26 0.00 0.00 58.87 58.00 1rbb n SER 16 Cb 0.36 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1rbb n SER 16 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1rbb s THR 17 N -2.60 1.40 0.20 6.66 -1.32 -1.22 -4.99 115.64 113.77 1rbb s THR 17 Ca 0.24 -0.72 0.35 0.00 -1.21 0.00 0.00 61.69 60.35 1rbb s THR 17 Cb 0.19 -1.19 0.39 0.00 -1.51 0.00 0.00 72.50 70.39 1rbb s THR 17 CO 0.52 0.40 2.05 0.28 -2.21 0.00 0.00 174.62 175.66 1rbb h SER 18 N 6.03 0.00 0.00 8.08 0.02 -1.86 -3.43 113.55 122.40 1rbb h SER 18 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1rbb h SER 18 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1rbb h SER 18 CO 0.48 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 176.18 1rbb n ALA 19 N -2.10 0.00 -2.09 3.77 0.00 -1.26 -4.82 120.51 114.01 1rbb n ALA 19 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1rbb n ALA 19 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.69 1rbb n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rbb s ALA 20 N -2.00 3.43 -2.55 0.00 0.00 -1.26 -4.93 121.76 114.45 1rbb s ALA 20 Ca 0.00 0.93 0.23 0.00 0.00 0.00 0.00 51.96 53.13 1rbb s ALA 20 Cb 0.00 -3.41 0.41 0.00 0.00 0.00 0.00 23.12 20.12 1rbb s ALA 20 CO 0.00 -0.37 1.39 0.45 0.00 0.00 0.00 175.76 177.23 1rbb n SER 21 N 2.65 3.38 -3.56 0.00 2.88 -1.26 -5.01 113.62 112.70 1rbb n SER 21 Ca 0.05 -1.99 -0.09 0.00 -1.33 0.00 0.00 58.87 55.50 1rbb n SER 21 Cb 0.45 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 1rbb n SER 21 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1rbb s SER 22 N -1.56 -0.42 0.00 -3.46 0.15 -1.26 -5.01 113.70 102.14 1rbb s SER 22 Ca 0.38 -0.16 0.07 0.00 0.70 0.00 0.00 55.95 56.94 1rbb s SER 22 Cb 0.22 0.56 0.34 0.00 -1.71 0.00 0.00 66.02 65.44 1rbb s SER 22 CO 0.32 -0.95 1.16 -1.54 1.20 0.00 0.00 173.24 173.43 1rbb n SER 23 N -0.37 0.00 -0.04 5.45 3.41 -1.26 -2.64 113.62 118.16 1rbb n SER 23 Ca -0.11 0.34 0.10 0.00 -0.26 0.00 0.00 58.87 58.94 1rbb n SER 23 Cb 0.63 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1rbb n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rbb n ASN 24 N -1.39 1.06 -0.29 4.04 5.15 -1.26 -3.95 115.26 118.61 1rbb n ASN 24 Ca 0.03 -1.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.05 1rbb n ASN 24 Cb 0.07 0.90 0.13 0.00 -0.53 0.00 0.00 39.78 40.36 1rbb n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1rbb h TYR 25 N 0.22 -0.33 0.07 1.20 -0.00 -1.90 -2.08 116.97 114.15 1rbb h TYR 25 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.73 58.80 1rbb h TYR 25 Cb 0.52 0.28 -0.00 0.00 -0.00 0.00 0.00 36.73 37.52 1rbb h TYR 25 CO 0.00 -0.34 -0.05 0.00 -0.00 0.00 0.00 178.16 177.76 1rbb h ASN 27 N -0.13 0.62 -0.04 0.00 2.35 -1.75 -1.00 115.58 115.64 1rbb h ASN 27 Ca -0.00 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1rbb h ASN 27 Cb 0.12 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1rbb h ASN 27 CO -0.01 0.44 -0.12 1.56 -1.65 0.00 0.00 177.43 177.65 1rbb h GLN 28 N 0.74 -0.18 -0.21 0.81 7.50 -1.12 -3.27 115.11 119.39 1rbb h GLN 28 Ca 0.23 0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.30 1rbb h GLN 28 Cb -0.02 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.55 1rbb h GLN 28 CO -0.08 -0.12 -0.22 0.52 -1.50 0.00 0.00 178.83 177.43 1rbb h MET 29 N -0.18 0.52 -0.93 1.46 2.86 -0.82 -2.91 114.93 114.91 1rbb h MET 29 Ca 0.05 -0.28 0.19 0.00 -2.06 0.00 0.00 59.70 57.60 1rbb h MET 29 Cb 0.26 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 1rbb h MET 29 CO -0.14 0.86 0.60 0.52 1.06 0.00 0.00 176.91 179.81 1rbb h MET 30 N 0.19 0.56 0.03 1.72 2.86 -1.27 0.42 114.93 119.45 1rbb h MET 30 Ca 0.03 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1rbb h MET 30 Cb 0.77 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1rbb h MET 30 CO 0.05 0.37 -0.17 -0.22 1.06 0.00 0.00 176.91 178.00 1rbb h LYS 31 N 0.58 0.07 -0.57 1.72 3.64 -1.60 -0.83 116.57 119.57 1rbb h LYS 31 Ca 0.50 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.72 1rbb h LYS 31 Cb 0.99 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1rbb h LYS 31 CO -0.24 1.03 0.17 0.66 -2.27 0.00 0.00 179.45 178.80 1rbb h SER 32 N -0.84 0.80 0.00 4.20 4.64 -1.29 -0.36 113.55 120.70 1rbb h SER 32 Ca -0.03 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1rbb h SER 32 Cb 1.12 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1rbb h SER 32 CO 0.03 0.77 0.00 0.54 -0.87 0.00 0.00 176.83 177.30 1rbb n ARG 33 N -4.29 0.63 -2.47 4.77 5.12 0.12 -4.86 116.66 115.69 1rbb n ARG 33 Ca 0.04 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.76 1rbb n ARG 33 Cb 0.21 -1.06 -0.01 0.00 -1.16 0.00 0.00 32.46 30.44 1rbb n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1rbb n ASN 34 N -0.36 -5.83 -0.74 0.55 4.13 -0.15 -4.77 115.26 108.09 1rbb n ASN 34 Ca 0.00 -0.03 0.13 0.00 1.68 0.00 0.00 54.58 56.35 1rbb n ASN 34 Cb 0.03 -4.84 0.24 0.00 -1.54 0.00 0.00 39.78 33.67 1rbb n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1rbb n LEU 35 N -3.11 2.36 -0.93 3.41 4.77 -0.32 -4.05 117.00 119.13 1rbb n LEU 35 Ca -0.23 -0.79 0.01 0.00 -0.03 0.00 0.00 56.01 54.98 1rbb n LEU 35 Cb 0.68 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.97 1rbb n LEU 35 CO 0.30 0.40 0.65 0.35 -1.33 0.00 0.00 177.39 177.76 1rbb n THR 36 N 0.78 2.39 -0.04 -5.08 -2.24 -1.23 -3.23 114.28 105.64 1rbb n THR 36 Ca 0.15 -2.55 -0.15 0.00 -2.27 0.00 0.00 64.05 59.24 1rbb n THR 36 Cb 0.50 -0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 1rbb n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rbb h LYS 37 N 1.08 0.46 0.00 -0.78 3.64 -1.92 -3.38 116.57 115.67 1rbb h LYS 37 Ca 0.12 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 59.07 1rbb h LYS 37 Cb 1.47 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 1rbb h LYS 37 CO 0.27 0.96 -1.74 -0.40 -2.27 0.00 0.00 179.45 176.28 1rbb n ASP 38 N -4.34 1.77 -3.72 4.20 5.68 -1.26 -5.05 116.55 113.83 1rbb n ASP 38 Ca -0.07 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.16 1rbb n ASP 38 Cb 0.53 1.34 -0.02 0.00 -1.14 0.00 0.00 41.12 41.83 1rbb n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbb s ARG 39 N -2.74 1.33 -0.61 0.11 1.04 -1.26 -5.11 118.95 111.72 1rbb s ARG 39 Ca -0.06 -0.70 -0.26 0.00 -1.04 0.00 0.00 55.73 53.67 1rbb s ARG 39 Cb 0.07 0.48 0.04 0.00 -2.04 0.00 0.00 34.95 33.50 1rbb s ARG 39 CO 0.57 -0.61 1.12 0.00 -0.04 0.00 0.00 175.30 176.35 1rbb n LYS 41 N 8.30 2.41 0.08 0.00 4.81 -1.20 -4.90 118.16 127.67 1rbb n LYS 41 Ca 0.05 0.87 -0.05 0.00 -0.87 0.00 0.00 58.31 58.31 1rbb n LYS 41 Cb 0.48 -2.64 -0.08 0.00 0.02 0.00 0.00 35.03 32.81 1rbb n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1rbb h PRO 42 N 5.68 0.00 -3.54 1.64 0.13 -1.93 -3.43 132.00 130.55 1rbb h PRO 42 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1rbb h PRO 42 Cb 1.24 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.11 1rbb h PRO 42 CO 0.87 0.87 -0.60 0.08 -0.23 0.00 0.00 178.00 178.99 1rbb s VAL 43 N -2.77 0.02 -0.29 1.56 1.01 -1.26 0.10 120.40 118.77 1rbb s VAL 43 Ca 0.02 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.56 1rbb s VAL 43 Cb 0.09 -0.20 0.18 0.00 0.00 0.00 0.00 36.38 36.46 1rbb s VAL 43 CO 0.80 -0.10 1.40 0.21 0.00 0.00 0.00 175.10 177.41 1rbb s ASN 44 N -0.29 -0.09 -0.05 3.32 3.04 -0.49 -5.01 114.94 115.37 1rbb s ASN 44 Ca -0.04 0.17 0.04 0.00 0.04 0.00 0.00 52.86 53.07 1rbb s ASN 44 Cb -0.03 0.17 -0.02 0.00 -1.54 0.00 0.00 41.25 39.83 1rbb s ASN 44 CO 0.00 -0.03 -0.18 -0.89 -3.04 0.00 0.00 177.10 172.96 1rbb s THR 45 N -0.04 2.77 -0.07 -5.21 2.01 -1.26 0.72 115.64 114.56 1rbb s THR 45 Ca 0.07 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.24 1rbb s THR 45 Cb -0.05 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1rbb s THR 45 CO -0.14 0.58 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.99 1rbb s PHE 46 N -0.58 3.08 -0.13 4.92 0.08 0.03 -4.45 117.98 120.93 1rbb s PHE 46 Ca 0.08 0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.24 1rbb s PHE 46 Cb -0.11 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 1rbb s PHE 46 CO 0.01 0.43 -0.07 0.08 -0.10 0.00 0.00 175.22 175.57 1rbb s VAL 47 N -0.89 3.66 -0.87 -0.44 1.01 0.26 -0.60 120.40 122.55 1rbb s VAL 47 Ca 0.14 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1rbb s VAL 47 Cb -0.11 -2.57 0.31 0.00 0.00 0.00 0.00 36.38 34.01 1rbb s VAL 47 CO 0.03 0.52 1.35 1.41 0.00 0.00 0.00 175.10 178.41 1rbb n HIS 48 N 3.27 3.10 -4.11 5.22 -0.00 0.10 0.82 115.22 123.62 1rbb n HIS 48 Ca -0.18 -3.19 -0.09 0.00 -0.00 0.00 0.00 57.72 54.27 1rbb n HIS 48 Cb 0.53 -0.93 -0.10 0.00 -0.00 0.00 0.00 29.99 29.49 1rbb n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbb s GLU 49 N -3.43 0.85 0.69 -0.41 0.41 -1.26 -4.69 118.70 110.85 1rbb s GLU 49 Ca 0.40 -1.34 -0.17 0.00 -0.41 0.00 0.00 54.97 53.45 1rbb s GLU 49 Cb 0.17 0.25 -0.01 0.00 -1.78 0.00 0.00 34.13 32.76 1rbb s GLU 49 CO -0.05 -0.23 0.97 -1.13 -0.49 0.00 0.00 175.26 174.33 1rbb n SER 50 N -0.04 0.59 -0.32 -0.19 3.41 -1.26 -4.37 113.62 111.44 1rbb n SER 50 Ca -0.08 0.71 -0.03 0.00 -0.26 0.00 0.00 58.87 59.20 1rbb n SER 50 Cb 0.63 -1.41 0.08 0.00 -0.26 0.00 0.00 64.21 63.26 1rbb n SER 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rbb h LEU 51 N -0.03 0.98 -0.97 1.04 5.85 -1.97 -1.17 115.31 119.05 1rbb h LEU 51 Ca -0.48 -0.02 0.28 0.00 0.84 0.00 0.00 57.88 58.49 1rbb h LEU 51 Cb 1.34 -0.24 -0.14 0.00 0.37 0.00 0.00 40.66 41.99 1rbb h LEU 51 CO 0.48 0.71 0.49 0.00 -0.34 0.00 0.00 178.44 179.78 1rbb h ALA 52 N 1.32 1.73 0.18 1.25 0.00 -1.99 0.21 119.26 121.95 1rbb h ALA 52 Ca 0.32 0.18 -0.31 0.00 0.00 0.00 0.00 54.91 55.09 1rbb h ALA 52 Cb -0.12 0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rbb h ALA 52 CO -0.07 -0.46 -1.46 -0.44 0.00 0.00 0.00 179.25 176.82 1rbb h ASP 53 N 0.37 0.58 -0.04 0.00 3.32 -1.59 -1.94 116.42 117.12 1rbb h ASP 53 Ca 0.66 -0.69 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1rbb h ASP 53 Cb 1.40 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1rbb h ASP 53 CO -0.58 1.55 0.01 0.58 -1.72 0.00 0.00 179.24 179.08 1rbb h VAL 54 N 0.10 1.20 -0.40 -1.35 2.07 -0.37 -2.73 116.25 114.78 1rbb h VAL 54 Ca -0.23 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 66.81 1rbb h VAL 54 Cb 2.07 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 1rbb h VAL 54 CO 0.21 0.16 0.41 1.56 0.02 0.00 0.00 177.57 179.93 1rbb h GLN 55 N -0.17 0.00 0.00 1.57 4.20 -0.65 0.34 115.11 120.40 1rbb h GLN 55 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1rbb h GLN 55 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1rbb h GLN 55 CO 0.00 0.00 -0.26 0.00 -0.67 0.00 0.00 178.83 177.90 1rbb h ALA 56 N 1.55 0.95 0.00 3.87 0.00 -1.03 -1.65 119.26 122.95 1rbb h ALA 56 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1rbb h ALA 56 Cb 1.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1rbb h ALA 56 CO -0.00 0.33 -0.08 0.28 0.00 0.00 0.00 179.25 179.77 1rbb h VAL 57 N 0.00 0.32 0.00 0.00 2.07 -0.18 -2.70 116.25 115.76 1rbb h VAL 57 Ca -0.00 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1rbb h VAL 57 Cb 0.89 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1rbb h VAL 57 CO 0.03 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1rbb n SER 59 N -1.49 3.50 0.00 0.00 3.41 -1.02 -5.03 113.62 112.99 1rbb n SER 59 Ca 0.02 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1rbb n SER 59 Cb 0.07 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1rbb n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbb n GLN 60 N -0.71 3.01 -2.70 4.33 6.02 0.82 -4.94 117.38 123.20 1rbb n GLN 60 Ca 0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 1rbb n GLN 60 Cb 0.82 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.05 1rbb n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbb s LYS 61 N 4.63 3.79 0.13 -1.09 2.20 -0.93 -4.84 119.74 123.64 1rbb s LYS 61 Ca 0.00 0.60 -0.32 0.00 -0.36 0.00 0.00 55.97 55.88 1rbb s LYS 61 Cb 0.00 -3.85 -0.12 0.00 -1.51 0.00 0.00 37.83 32.35 1rbb s LYS 61 CO 0.00 -1.14 1.74 -1.71 -0.36 0.00 0.00 175.35 173.88 1rbb n ASN 62 N 7.23 3.70 -4.17 1.43 4.05 -1.26 0.11 115.26 126.35 1rbb n ASN 62 Ca 0.10 1.03 -0.12 0.00 0.45 0.00 0.00 54.58 56.04 1rbb n ASN 62 Cb 0.48 -1.50 -0.10 0.00 1.23 0.00 0.00 39.78 39.89 1rbb n ASN 62 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1rbb s VAL 63 N 1.96 0.79 0.28 3.44 -7.23 -1.00 -4.83 120.40 113.82 1rbb s VAL 63 Ca 0.80 -1.82 -0.28 0.00 -1.81 0.00 0.00 61.98 58.88 1rbb s VAL 63 Cb -0.56 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.74 1rbb s VAL 63 CO 0.38 -0.75 0.96 0.00 -0.31 0.00 0.00 175.10 175.38 1rbb s ALA 64 N -3.15 3.29 0.71 1.32 0.00 -1.26 -3.50 121.76 119.17 1rbb s ALA 64 Ca 0.09 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1rbb s ALA 64 Cb 0.02 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1rbb s ALA 64 CO -0.03 0.13 1.07 0.00 0.00 0.00 0.00 175.76 176.94 1rbb h LYS 66 N -0.75 0.00 -0.50 0.00 3.64 -1.91 -0.41 116.57 116.64 1rbb h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1rbb h LYS 66 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1rbb h LYS 66 CO 0.60 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.05 1rbb n ASN 67 N -4.27 2.72 0.00 4.20 0.23 -1.26 -4.94 115.26 111.94 1rbb n ASN 67 Ca 0.15 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1rbb n ASN 67 Cb 0.84 -0.33 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 1rbb n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rbb n GLY 68 N 1.31 2.82 3.76 4.83 0.00 -0.16 -5.03 105.19 112.71 1rbb n GLY 68 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1rbb n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rbb s GLN 69 N -0.34 3.30 0.00 1.61 -0.21 -1.26 -4.71 119.66 118.04 1rbb s GLN 69 Ca 0.00 2.02 0.14 0.00 0.02 0.00 0.00 55.36 57.54 1rbb s GLN 69 Cb 0.00 -2.24 0.14 0.00 1.00 0.00 0.00 33.01 31.91 1rbb s GLN 69 CO 0.00 -1.00 0.98 -2.37 -2.12 0.00 0.00 175.29 170.79 1rbb n THR 70 N -0.96 0.10 0.61 -0.19 5.66 -1.26 0.26 114.28 118.49 1rbb n THR 70 Ca 0.10 -0.55 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1rbb n THR 70 Cb 0.47 1.22 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 1rbb n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1rbb n ASN 71 N 0.79 0.70 -4.89 1.09 6.94 -1.26 -4.61 115.26 114.01 1rbb n ASN 71 Ca 0.09 -1.23 -0.29 0.00 -0.02 0.00 0.00 54.58 53.14 1rbb n ASN 71 Cb 0.36 -0.31 -0.01 0.00 -2.36 0.00 0.00 39.78 37.47 1rbb n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbb s TYR 73 N -2.69 -0.21 -0.13 0.00 2.02 0.11 -2.36 117.35 114.09 1rbb s TYR 73 Ca 0.49 0.53 -0.03 0.00 -0.37 0.00 0.00 57.07 57.69 1rbb s TYR 73 Cb -0.10 0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.47 1rbb s TYR 73 CO 0.42 -0.13 -0.02 -1.14 -1.57 0.00 0.00 175.55 173.12 1rbb s GLN 74 N 0.42 3.38 -0.03 -0.62 0.74 0.30 -1.25 119.66 122.59 1rbb s GLN 74 Ca -0.03 -0.47 -0.30 0.00 0.05 0.00 0.00 55.36 54.62 1rbb s GLN 74 Cb -0.04 -2.87 -0.07 0.00 1.10 0.00 0.00 33.01 31.13 1rbb s GLN 74 CO -0.02 0.44 1.86 -1.54 -0.55 0.00 0.00 175.29 175.48 1rbb s SER 75 N -0.17 6.43 0.23 6.67 1.04 -0.25 -2.19 113.70 125.47 1rbb s SER 75 Ca 0.04 2.39 -0.07 0.00 0.48 0.00 0.00 55.95 58.79 1rbb s SER 75 Cb -0.13 -2.53 0.31 0.00 0.10 0.00 0.00 66.02 63.78 1rbb s SER 75 CO 0.02 -1.10 1.81 1.88 0.98 0.00 0.00 173.24 176.83 1rbb h TYR 76 N 10.64 0.76 -3.34 5.02 0.05 -1.94 -3.43 116.97 124.73 1rbb h TYR 76 Ca -0.44 0.03 -0.51 0.00 0.05 0.00 0.00 58.73 57.85 1rbb h TYR 76 Cb 1.21 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.72 1rbb h TYR 76 CO 0.93 0.33 -0.07 -1.12 -1.05 0.00 0.00 178.16 177.18 1rbb s SER 77 N -5.60 6.48 0.48 3.88 0.01 -1.26 -5.09 113.70 112.60 1rbb s SER 77 Ca -0.13 0.83 -0.08 0.00 1.31 0.00 0.00 55.95 57.89 1rbb s SER 77 Cb 0.18 -2.19 -0.05 0.00 0.21 0.00 0.00 66.02 64.17 1rbb s SER 77 CO 0.77 -0.24 0.82 0.42 0.41 0.00 0.00 173.24 175.42 1rbb s THR 78 N -2.14 4.83 0.05 1.44 -4.23 -1.26 -4.60 115.64 109.73 1rbb s THR 78 Ca 0.46 0.45 0.01 0.00 -1.18 0.00 0.00 61.69 61.43 1rbb s THR 78 Cb -0.11 -3.82 -0.03 0.00 1.34 0.00 0.00 72.50 69.88 1rbb s THR 78 CO 0.30 -0.80 -0.06 -0.04 -0.54 0.00 0.00 174.62 173.48 1rbb s MET 79 N -4.53 0.53 -0.15 3.99 -1.94 0.31 -4.87 119.30 112.65 1rbb s MET 79 Ca 0.50 -0.86 -0.24 0.00 -1.71 0.00 0.00 55.69 53.38 1rbb s MET 79 Cb -0.10 -0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.58 1rbb s MET 79 CO 0.42 0.00 0.76 -1.54 -0.01 0.00 0.00 175.02 174.65 1rbb s SER 80 N -1.90 6.91 0.12 3.03 1.04 -1.26 0.43 113.70 122.06 1rbb s SER 80 Ca -0.06 1.11 0.05 0.00 0.48 0.00 0.00 55.95 57.52 1rbb s SER 80 Cb -0.06 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 1rbb s SER 80 CO -0.02 -0.30 -0.11 0.27 0.98 0.00 0.00 173.24 174.06 1rbb s ILE 81 N 1.74 1.11 -0.19 -1.02 -4.36 0.37 0.01 121.20 118.86 1rbb s ILE 81 Ca 0.36 -1.76 -0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1rbb s ILE 81 Cb -0.17 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 1rbb s ILE 81 CO 0.14 -0.56 -0.07 -0.89 0.24 0.00 0.00 174.94 173.80 1rbb s THR 82 N -2.54 3.30 -0.07 8.37 2.01 0.23 -1.28 115.64 125.67 1rbb s THR 82 Ca 0.09 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 1rbb s THR 82 Cb -0.02 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1rbb s THR 82 CO 0.01 0.46 0.63 -0.62 -0.69 0.00 0.00 174.62 174.41 1rbb s ASP 83 N 1.12 6.91 -0.20 3.53 3.68 2.13 -0.79 116.67 133.06 1rbb s ASP 83 Ca 0.01 1.10 -0.00 0.00 2.13 0.00 0.00 52.55 55.79 1rbb s ASP 83 Cb -0.15 -2.37 0.02 0.00 -1.45 0.00 0.00 42.92 38.97 1rbb s ASP 83 CO -0.01 -0.05 -0.15 0.00 0.13 0.00 0.00 175.17 175.09 1rbb s ARG 85 N 1.33 3.24 0.30 0.00 6.06 0.59 -1.40 118.95 129.07 1rbb s ARG 85 Ca 0.04 -0.62 -0.30 0.00 -2.50 0.00 0.00 55.73 52.36 1rbb s ARG 85 Cb -0.14 -2.67 -0.11 0.00 0.06 0.00 0.00 34.95 32.09 1rbb s ARG 85 CO -0.10 0.35 1.55 -2.00 -2.50 0.00 0.00 175.30 172.60 1rbb s GLU 86 N 0.01 4.15 0.17 5.12 2.12 0.29 0.24 118.70 130.79 1rbb s GLU 86 Ca -0.02 2.52 0.04 0.00 0.36 0.00 0.00 54.97 57.87 1rbb s GLU 86 Cb -0.14 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 1rbb s GLU 86 CO 0.04 -0.57 0.23 0.99 -0.54 0.00 0.00 175.26 175.40 1rbb s THR 87 N -0.21 4.94 1.14 -1.70 2.01 -0.01 -4.77 115.64 117.05 1rbb s THR 87 Ca 0.61 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.57 1rbb s THR 87 Cb -0.46 -3.56 0.27 0.00 0.01 0.00 0.00 72.50 68.76 1rbb s THR 87 CO 0.50 -0.13 1.04 -0.83 -0.69 0.00 0.00 174.62 174.50 1rbb s GLY 88 N -3.28 1.55 0.00 4.40 0.00 -1.26 -0.82 107.32 107.92 1rbb s GLY 88 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1rbb s GLY 88 CO 0.26 0.58 0.00 -1.26 0.00 0.00 0.00 173.10 172.69 1rbb n SER 89 N -4.84 0.00 -4.69 1.64 2.88 -1.26 -4.96 113.62 102.40 1rbb n SER 89 Ca 0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.15 1rbb n SER 89 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1rbb n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1rbb s SER 90 N 0.00 6.91 -0.16 -3.46 0.01 0.00 -4.77 113.70 112.23 1rbb s SER 90 Ca 0.00 2.04 -0.04 0.00 1.31 0.00 0.00 55.95 59.26 1rbb s SER 90 Cb 0.00 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.73 1rbb s SER 90 CO 0.00 -0.67 0.07 -0.75 0.41 0.00 0.00 173.24 172.30 1rbb s LYS 91 N 2.24 0.24 0.05 12.44 2.36 1.02 -4.78 119.74 133.31 1rbb s LYS 91 Ca 0.62 -0.14 -0.37 0.00 -2.55 0.00 0.00 55.97 53.52 1rbb s LYS 91 Cb -0.30 -1.79 -0.19 0.00 -1.05 0.00 0.00 37.83 34.51 1rbb s LYS 91 CO 0.26 -0.62 1.05 0.98 1.55 0.00 0.00 175.35 178.56 1rbb n TYR 92 N 5.21 0.68 1.29 4.03 9.36 -1.26 0.17 117.16 136.64 1rbb n TYR 92 Ca -0.07 0.95 0.11 0.00 3.32 0.00 0.00 57.90 62.21 1rbb n TYR 92 Cb 0.49 -2.13 0.63 0.00 -0.63 0.00 0.00 39.34 37.70 1rbb n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rbb n PRO 93 N 1.61 0.60 -3.61 2.98 -0.04 -1.26 -4.92 135.00 130.35 1rbb n PRO 93 Ca 0.19 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 1rbb n PRO 93 Cb 0.13 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.03 1rbb n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbb n ASN 94 N -1.07 4.27 -4.73 3.54 3.02 0.45 -5.05 115.26 115.69 1rbb n ASN 94 Ca 0.15 -3.15 -0.41 0.00 -0.03 0.00 0.00 54.58 51.14 1rbb n ASN 94 Cb 0.10 -1.05 -0.04 0.00 -0.61 0.00 0.00 39.78 38.18 1rbb n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rbb s ALA 96 N -0.17 1.48 -0.01 0.00 0.00 -1.26 -4.85 121.76 116.94 1rbb s ALA 96 Ca 0.47 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.87 1rbb s ALA 96 Cb -0.26 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 1rbb s ALA 96 CO 0.32 0.24 -0.21 0.71 0.00 0.00 0.00 175.76 176.81 1rbb s TYR 97 N 0.19 1.92 -0.07 0.00 2.02 -1.26 -0.83 117.35 119.32 1rbb s TYR 97 Ca -0.07 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 55.97 1rbb s TYR 97 Cb -0.13 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1rbb s TYR 97 CO 0.03 -0.01 1.15 0.21 -1.57 0.00 0.00 175.55 175.36 1rbb s LYS 98 N -0.61 4.36 -0.28 -0.62 2.20 0.64 -4.47 119.74 120.96 1rbb s LYS 98 Ca 0.08 1.60 -0.15 0.00 -0.36 0.00 0.00 55.97 57.15 1rbb s LYS 98 Cb -0.08 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1rbb s LYS 98 CO -0.00 -0.43 0.37 0.99 -0.36 0.00 0.00 175.35 175.92 1rbb s THR 99 N 2.22 5.17 -0.11 3.43 2.01 -1.25 -0.30 115.64 126.81 1rbb s THR 99 Ca 0.54 0.46 0.02 0.00 0.31 0.00 0.00 61.69 63.02 1rbb s THR 99 Cb -0.23 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1rbb s THR 99 CO 0.20 0.11 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.19 1rbb s THR 100 N 2.06 2.72 -0.07 -0.82 2.01 0.25 -4.85 115.64 116.94 1rbb s THR 100 Ca 0.14 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1rbb s THR 100 Cb -0.16 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 1rbb s THR 100 CO 0.10 0.54 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.82 1rbb s GLN 101 N 0.26 2.73 0.27 4.92 2.00 -1.26 0.54 119.66 129.12 1rbb s GLN 101 Ca -0.12 -0.75 -0.19 0.00 -2.00 0.00 0.00 55.36 52.30 1rbb s GLN 101 Cb -0.16 -2.38 0.02 0.00 0.80 0.00 0.00 33.01 31.29 1rbb s GLN 101 CO 0.06 0.46 0.67 0.00 -0.50 0.00 0.00 175.29 175.97 1rbb s ALA 102 N -0.30 -1.03 -0.34 1.58 0.00 -0.41 -4.99 121.76 116.27 1rbb s ALA 102 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 1rbb s ALA 102 Cb -0.13 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1rbb s ALA 102 CO 0.03 -0.99 0.12 -0.80 0.00 0.00 0.00 175.76 174.11 1rbb s ASN 103 N -2.94 5.36 0.13 0.00 -0.87 -1.26 -0.48 114.94 114.88 1rbb s ASN 103 Ca 0.13 -1.15 -0.05 0.00 -1.57 0.00 0.00 52.86 50.22 1rbb s ASN 103 Cb -0.05 -1.88 -0.02 0.00 -0.02 0.00 0.00 41.25 39.28 1rbb s ASN 103 CO 0.07 -0.34 0.14 -0.54 -2.57 0.00 0.00 177.10 173.86 1rbb s LYS 104 N 1.41 0.95 0.33 -0.60 1.02 0.17 -4.76 119.74 118.25 1rbb s LYS 104 Ca -0.01 -1.25 -0.27 0.00 0.02 0.00 0.00 55.97 54.45 1rbb s LYS 104 Cb -0.20 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.32 1rbb s LYS 104 CO 0.03 -0.30 1.10 -1.01 -0.92 0.00 0.00 175.35 174.25 1rbb s HIS 105 N -3.98 3.43 0.19 3.18 3.76 -1.26 -0.53 115.29 120.09 1rbb s HIS 105 Ca 0.17 1.67 0.09 0.00 -0.15 0.00 0.00 55.06 56.83 1rbb s HIS 105 Cb 0.06 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 1rbb s HIS 105 CO -0.02 -0.68 -0.09 0.96 -0.85 0.00 0.00 174.74 174.06 1rbb s ILE 106 N -1.32 3.19 -0.17 0.60 -4.36 -1.26 0.25 121.20 118.13 1rbb s ILE 106 Ca 0.49 -1.69 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 1rbb s ILE 106 Cb -0.29 -2.59 0.02 0.00 1.25 0.00 0.00 42.46 40.84 1rbb s ILE 106 CO 0.37 -0.14 -0.18 -0.63 0.24 0.00 0.00 174.94 174.61 1rbb s ILE 107 N -1.77 1.91 0.04 8.37 1.01 0.38 -1.08 121.20 130.06 1rbb s ILE 107 Ca 0.25 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1rbb s ILE 107 Cb -0.08 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1rbb s ILE 107 CO 0.16 0.50 0.01 -0.69 0.00 0.00 0.00 174.94 174.92 1rbb s VAL 108 N 1.35 4.12 -0.06 2.92 1.01 -0.38 0.23 120.40 129.60 1rbb s VAL 108 Ca 0.05 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1rbb s VAL 108 Cb -0.13 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1rbb s VAL 108 CO -0.12 0.24 0.49 0.00 0.00 0.00 0.00 175.10 175.71 1rbb s ALA 109 N -1.21 3.54 0.15 5.51 0.00 0.19 0.06 121.76 130.00 1rbb s ALA 109 Ca 0.23 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.14 1rbb s ALA 109 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1rbb s ALA 109 CO 0.15 0.17 -0.12 0.00 0.00 0.00 0.00 175.76 175.96 1rbb s GLU 111 N -2.55 1.03 1.61 0.00 2.02 -0.92 -4.83 118.70 115.06 1rbb s GLU 111 Ca 0.23 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1rbb s GLU 111 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1rbb s GLU 111 CO 0.14 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.40 1rbb n GLY 112 N -0.03 -1.39 3.55 -1.39 0.00 -1.26 -3.21 105.19 101.46 1rbb n GLY 112 Ca -0.14 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 1rbb n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbb s ASN 113 N -4.00 4.16 0.16 1.61 3.04 -1.26 -3.95 114.94 114.70 1rbb s ASN 113 Ca 0.00 -0.61 -0.08 0.00 0.04 0.00 0.00 52.86 52.22 1rbb s ASN 113 Cb 0.00 -0.67 -0.06 0.00 -1.54 0.00 0.00 41.25 38.98 1rbb s ASN 113 CO 0.00 0.11 0.01 -0.81 -3.04 0.00 0.00 177.10 173.37 1rbb n PRO 114 N 0.07 0.00 -3.04 0.43 -0.04 -1.26 -5.01 135.00 126.15 1rbb n PRO 114 Ca -0.11 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 1rbb n PRO 114 Cb 0.55 -0.37 -0.06 0.00 -0.04 0.00 0.00 33.50 33.58 1rbb n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1rbb s TYR 115 N -0.66 3.07 0.25 0.54 5.04 -1.25 -4.84 117.35 119.49 1rbb s TYR 115 Ca 0.22 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.08 1rbb s TYR 115 Cb -0.22 -3.41 -0.05 0.00 0.35 0.00 0.00 41.96 38.63 1rbb s TYR 115 CO 0.24 -0.83 0.06 0.14 -1.34 0.00 0.00 175.55 173.82 1rbb s VAL 116 N 2.99 0.74 0.12 3.14 -7.23 -1.20 -4.90 120.40 114.07 1rbb s VAL 116 Ca 0.27 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.12 1rbb s VAL 116 Cb -0.13 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1rbb s VAL 116 CO 0.19 -0.14 1.44 -2.84 -0.31 0.00 0.00 175.10 173.44 1rbb s PRO 117 N -3.97 4.29 0.00 4.82 0.02 -1.26 -2.16 135.00 136.74 1rbb s PRO 117 Ca 0.34 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1rbb s PRO 117 Cb 0.07 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1rbb s PRO 117 CO 0.11 -0.49 0.00 1.55 -0.33 0.00 0.00 177.00 177.85 1rbb n VAL 118 N 3.98 0.00 -3.83 3.83 3.14 0.28 -4.49 118.33 121.24 1rbb n VAL 118 Ca 0.12 -0.16 -0.12 0.00 -2.96 0.00 0.00 64.34 61.22 1rbb n VAL 118 Cb 0.41 0.63 -0.12 0.00 -1.06 0.00 0.00 33.84 33.71 1rbb n VAL 118 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1rbb s HIS 119 N -1.30 -0.14 -0.40 1.45 5.65 -1.19 -4.59 115.29 114.78 1rbb s HIS 119 Ca 0.00 0.33 -0.14 0.00 0.25 0.00 0.00 55.06 55.49 1rbb s HIS 119 Cb 0.00 0.04 0.01 0.00 -1.18 0.00 0.00 32.58 31.45 1rbb s HIS 119 CO 0.00 -0.12 0.28 0.12 -0.65 0.00 0.00 174.74 174.37 1rbb s PHE 120 N -0.19 3.24 -0.17 3.88 2.19 -1.26 0.54 117.98 126.20 1rbb s PHE 120 Ca -0.03 -0.54 -0.22 0.00 0.33 0.00 0.00 56.93 56.48 1rbb s PHE 120 Cb -0.02 -2.56 -0.22 0.00 -1.31 0.00 0.00 43.02 38.90 1rbb s PHE 120 CO 0.00 -0.55 0.40 0.22 1.83 0.00 0.00 175.22 177.12 1rbb h ASP 121 N 8.59 0.08 0.00 6.13 3.58 -0.55 -3.48 116.42 130.77 1rbb h ASP 121 Ca -0.28 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 56.48 1rbb h ASP 121 Cb 1.13 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1rbb h ASP 121 CO 0.71 1.43 0.00 0.00 -2.88 0.00 0.00 179.24 178.49 1rbb n ALA 122 N -3.15 0.00 -2.43 -0.78 0.00 -1.07 -4.92 120.51 108.16 1rbb n ALA 122 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 1rbb n ALA 122 Cb 0.69 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.01 1rbb n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rbb s SER 123 N 0.00 3.74 0.00 0.00 1.04 -1.26 0.14 113.70 117.36 1rbb s SER 123 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1rbb s SER 123 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1rbb s SER 123 CO 0.00 0.30 0.00 0.55 0.98 0.00 0.00 173.24 175.07