#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rha s GLU 2 N 0.00 4.38 0.78 1.64 2.12 -1.26 -5.05 118.70 121.31 1rha s GLU 2 Ca 0.00 1.62 -0.11 0.00 0.36 0.00 0.00 54.97 56.83 1rha s GLU 2 Cb 0.00 -3.53 0.06 0.00 0.26 0.00 0.00 34.13 30.92 1rha s GLU 2 CO 0.00 -0.39 1.09 0.95 -0.54 0.00 0.00 175.26 176.38 1rha s THR 3 N 2.01 3.21 0.12 -1.70 -4.23 -1.26 -4.86 115.64 108.93 1rha s THR 3 Ca 0.55 0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 61.26 1rha s THR 3 Cb -0.24 -3.14 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 1rha s THR 3 CO 0.22 -0.51 1.77 0.00 -0.54 0.00 0.00 174.62 175.55 1rha h ALA 4 N -1.03 0.28 -0.41 3.99 0.00 -1.96 -1.21 119.26 118.91 1rha h ALA 4 Ca -0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1rha h ALA 4 Cb 1.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1rha h ALA 4 CO 0.59 -0.23 0.19 0.00 0.00 0.00 0.00 179.25 179.79 1rha h ALA 5 N 1.07 1.56 -0.10 0.00 0.00 -1.87 -0.68 119.26 119.23 1rha h ALA 5 Ca 0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1rha h ALA 5 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1rha h ALA 5 CO -0.02 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.48 1rha h ALA 6 N 1.63 0.15 -0.42 0.00 0.00 -1.85 -2.47 119.26 116.31 1rha h ALA 6 Ca 0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1rha h ALA 6 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1rha h ALA 6 CO -0.02 -0.00 0.20 -0.22 0.00 0.00 0.00 179.25 179.21 1rha h LYS 7 N -0.16 0.58 0.43 0.00 3.64 -0.72 -0.39 116.57 119.95 1rha h LYS 7 Ca 0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1rha h LYS 7 Cb 0.63 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1rha h LYS 7 CO 0.03 0.45 -0.21 0.35 -2.27 0.00 0.00 179.45 177.80 1rha h PHE 8 N 0.58 -0.53 -0.73 1.91 3.04 -1.02 -0.23 116.94 119.95 1rha h PHE 8 Ca 0.15 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.13 1rha h PHE 8 Cb 0.06 0.18 -0.05 0.00 2.56 0.00 0.00 35.95 38.70 1rha h PHE 8 CO 0.00 -0.32 0.44 0.93 -2.02 0.00 0.00 178.31 177.35 1rha h GLU 9 N -0.60 0.81 -0.58 1.11 5.08 -1.13 0.14 114.58 119.41 1rha h GLU 9 Ca -0.06 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1rha h GLU 9 Cb 0.45 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1rha h GLU 9 CO 0.10 0.54 0.22 -0.09 -1.00 0.00 0.00 179.01 178.77 1rha h ARG 10 N 0.84 0.88 0.00 2.33 2.43 -0.86 -1.78 114.38 118.22 1rha h ARG 10 Ca 0.31 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 59.13 1rha h ARG 10 Cb 0.11 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1rha h ARG 10 CO -0.15 0.77 -0.95 1.96 -1.51 0.00 0.00 179.97 180.09 1rha h GLN 11 N 0.81 0.00 0.00 0.20 4.20 -0.77 -3.42 115.11 116.13 1rha h GLN 11 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1rha h GLN 11 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1rha h GLN 11 CO -0.01 0.73 0.00 0.72 -0.67 0.00 0.00 178.83 179.59 1rha n HIS 12 N -3.24 0.00 -3.75 2.96 8.25 0.47 -4.73 115.22 115.19 1rha n HIS 12 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 1rha n HIS 12 Cb 0.88 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.92 1rha n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rha s MET 13 N -0.45 3.93 -0.44 -0.41 -1.94 -0.67 -0.21 119.30 119.11 1rha s MET 13 Ca 0.00 -0.12 0.06 0.00 -1.71 0.00 0.00 55.69 53.91 1rha s MET 13 Cb 0.00 -3.33 0.20 0.00 2.01 0.00 0.00 34.83 33.70 1rha s MET 13 CO 0.00 0.47 0.54 -3.47 -0.01 0.00 0.00 175.02 172.55 1rha n ASP 14 N 2.94 -1.43 0.18 3.03 2.03 -0.10 -4.85 116.55 118.35 1rha n ASP 14 Ca -0.17 -2.68 0.13 0.00 0.52 0.00 0.00 54.79 52.59 1rha n ASP 14 Cb 0.53 0.32 0.40 0.00 -0.72 0.00 0.00 41.12 41.65 1rha n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1rha h SER 15 N 4.96 0.00 0.80 1.67 0.02 -1.76 -3.31 113.55 115.93 1rha h SER 15 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1rha h SER 15 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1rha h SER 15 CO 0.29 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 176.75 1rha h SER 16 N 0.00 0.00 -3.97 3.07 4.64 -1.92 -3.45 113.55 111.92 1rha h SER 16 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1rha h SER 16 Cb 0.71 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.64 1rha h SER 16 CO 0.00 0.00 -0.73 0.42 -0.87 0.00 0.00 176.83 175.65 1rha s THR 17 N -3.53 1.21 -0.09 2.95 -4.23 -1.25 -5.06 115.64 105.65 1rha s THR 17 Ca 0.02 -1.96 0.15 0.00 -1.18 0.00 0.00 61.69 58.73 1rha s THR 17 Cb 0.09 -1.74 -0.15 0.00 1.34 0.00 0.00 72.50 72.04 1rha s THR 17 CO 0.45 -0.65 0.86 -1.28 -0.54 0.00 0.00 174.62 173.47 1rha h SER 18 N 3.00 0.00 -5.12 3.99 0.87 -1.86 -3.44 113.55 110.99 1rha h SER 18 Ca -0.37 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.26 1rha h SER 18 Cb 1.19 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.12 1rha h SER 18 CO 0.60 0.71 0.34 0.00 -0.53 0.00 0.00 176.83 177.95 1rha s ALA 19 N -2.83 -1.22 0.20 6.23 0.00 -1.26 -4.87 121.76 118.02 1rha s ALA 19 Ca -0.03 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.26 1rha s ALA 19 Cb 0.08 0.74 -0.11 0.00 0.00 0.00 0.00 23.12 23.84 1rha s ALA 19 CO 0.81 -1.03 1.63 0.00 0.00 0.00 0.00 175.76 177.17 1rha s ALA 20 N -3.07 3.83 -0.03 0.00 0.00 -1.26 -4.89 121.76 116.34 1rha s ALA 20 Ca 0.14 1.48 0.26 0.00 0.00 0.00 0.00 51.96 53.84 1rha s ALA 20 Cb -0.04 -3.65 0.85 0.00 0.00 0.00 0.00 23.12 20.28 1rha s ALA 20 CO 0.07 -0.86 1.79 0.66 0.00 0.00 0.00 175.76 177.42 1rha h SER 21 N 6.45 0.00 -5.11 0.00 4.64 -1.99 -3.47 113.55 114.07 1rha h SER 21 Ca -0.43 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.94 1rha h SER 21 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1rha h SER 21 CO 0.91 0.13 0.34 -0.94 -0.87 0.00 0.00 176.83 176.40 1rha s SER 22 N -6.06 -0.09 0.00 4.97 1.04 -1.26 -4.99 113.70 107.30 1rha s SER 22 Ca 0.02 -0.84 0.29 0.00 0.48 0.00 0.00 55.95 55.91 1rha s SER 22 Cb 0.08 0.72 1.68 0.00 0.10 0.00 0.00 66.02 68.60 1rha s SER 22 CO 0.62 -1.39 2.05 -1.54 0.98 0.00 0.00 173.24 173.97 1rha n SER 23 N -1.01 0.00 -0.92 7.02 3.41 -1.26 -2.38 113.62 118.48 1rha n SER 23 Ca -0.06 -0.77 0.10 0.00 -0.26 0.00 0.00 58.87 57.87 1rha n SER 23 Cb 0.60 -0.05 0.15 0.00 -0.26 0.00 0.00 64.21 64.65 1rha n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rha n ASN 24 N -1.05 3.02 -0.23 4.04 4.05 -1.26 -4.30 115.26 119.54 1rha n ASN 24 Ca 0.20 -1.89 -0.01 0.00 0.45 0.00 0.00 54.58 53.33 1rha n ASN 24 Cb 0.12 -0.15 0.10 0.00 1.23 0.00 0.00 39.78 41.08 1rha n ASN 24 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1rha h TYR 25 N 3.77 0.63 -0.69 1.20 3.20 -1.86 -2.47 116.97 120.75 1rha h TYR 25 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1rha h TYR 25 Cb 0.86 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 1rha h TYR 25 CO 0.15 0.28 0.36 0.00 -1.64 0.00 0.00 178.16 177.31 1rha h ASN 27 N 0.95 -0.08 0.14 0.00 2.35 -1.71 -0.42 115.58 116.81 1rha h ASN 27 Ca 0.24 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1rha h ASN 27 Cb 0.07 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1rha h ASN 27 CO -0.04 -0.03 -0.07 1.56 -1.65 0.00 0.00 177.43 177.21 1rha h GLN 28 N -0.00 -0.19 -0.25 0.81 4.20 -1.20 -3.19 115.11 115.28 1rha h GLN 28 Ca 0.04 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1rha h GLN 28 Cb 0.06 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1rha h GLN 28 CO -0.08 0.07 -0.08 0.52 -0.67 0.00 0.00 178.83 178.58 1rha h MET 29 N -0.43 0.40 0.00 1.46 2.86 -0.70 -2.37 114.93 116.15 1rha h MET 29 Ca -0.02 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1rha h MET 29 Cb 0.34 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1rha h MET 29 CO 0.03 0.50 0.00 -1.33 1.06 0.00 0.00 176.91 177.17 1rha n MET 30 N -4.26 0.14 0.02 1.72 2.81 -0.17 -2.86 117.12 114.52 1rha n MET 30 Ca 0.00 0.18 -0.22 0.00 -1.81 0.00 0.00 57.70 55.86 1rha n MET 30 Cb 0.27 -1.68 -0.14 0.00 -0.71 0.00 0.00 33.22 30.96 1rha n MET 30 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1rha h LYS 31 N 0.00 0.28 -0.42 0.03 1.63 -1.48 -2.45 116.57 114.16 1rha h LYS 31 Ca 0.00 -0.48 0.04 0.00 -0.85 0.00 0.00 60.65 59.36 1rha h LYS 31 Cb 0.54 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 1rha h LYS 31 CO 0.00 1.23 0.28 0.66 -3.45 0.00 0.00 179.45 178.17 1rha h SER 32 N -0.19 0.35 -0.99 4.20 4.64 -1.28 -3.11 113.55 117.18 1rha h SER 32 Ca -0.32 -0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.36 1rha h SER 32 Cb 1.86 -0.08 -0.34 0.00 -0.31 0.00 0.00 62.40 63.53 1rha h SER 32 CO 0.09 0.24 0.28 0.54 -0.87 0.00 0.00 176.83 177.11 1rha n ARG 33 N -4.48 3.02 -2.05 4.77 1.74 -1.25 -4.48 116.66 113.93 1rha n ARG 33 Ca 0.05 -3.63 -0.20 0.00 -0.77 0.00 0.00 57.85 53.30 1rha n ARG 33 Cb 0.19 -2.28 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 1rha n ARG 33 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rha n ASN 34 N -0.82 -5.52 0.17 0.55 4.13 -1.17 -4.83 115.26 107.77 1rha n ASN 34 Ca 0.56 0.22 0.04 0.00 1.68 0.00 0.00 54.58 57.07 1rha n ASN 34 Cb 0.74 -4.72 0.45 0.00 -1.54 0.00 0.00 39.78 34.70 1rha n ASN 34 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1rha h LEU 35 N 0.00 0.10 -3.63 3.41 3.38 -1.70 -2.52 115.31 114.36 1rha h LEU 35 Ca -0.45 -0.02 -0.35 0.00 0.09 0.00 0.00 57.88 57.15 1rha h LEU 35 Cb 1.33 -0.03 -0.21 0.00 0.09 0.00 0.00 40.66 41.85 1rha h LEU 35 CO 0.58 0.28 0.16 0.35 0.09 0.00 0.00 178.44 179.90 1rha n THR 36 N -4.30 2.85 0.22 0.22 -2.24 -0.92 -4.73 114.28 105.38 1rha n THR 36 Ca -0.02 -2.67 0.10 0.00 -2.27 0.00 0.00 64.05 59.20 1rha n THR 36 Cb 0.26 -0.51 0.66 0.00 -2.10 0.00 0.00 70.33 68.64 1rha n THR 36 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1rha h LYS 37 N 1.19 0.00 0.00 -0.78 2.10 -1.77 -3.32 116.57 113.99 1rha h LYS 37 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1rha h LYS 37 Cb 1.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.23 1rha h LYS 37 CO 0.74 0.00 -0.72 -0.25 -2.00 0.00 0.00 179.45 177.22 1rha n ASP 38 N -4.49 3.62 -3.75 7.07 8.00 -1.26 -5.12 116.55 120.62 1rha n ASP 38 Ca -0.01 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 1rha n ASP 38 Cb 0.18 0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.73 1rha n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rha s ARG 39 N -1.62 1.44 -0.60 -1.24 1.70 -1.25 -5.10 118.95 112.28 1rha s ARG 39 Ca 0.00 -0.88 -0.16 0.00 -0.47 0.00 0.00 55.73 54.22 1rha s ARG 39 Cb 0.00 0.54 0.14 0.00 -0.57 0.00 0.00 34.95 35.05 1rha s ARG 39 CO 0.00 -0.62 0.59 0.00 -1.08 0.00 0.00 175.30 174.19 1rha n LYS 41 N 5.33 2.24 -0.17 0.00 4.81 -1.26 -4.87 118.16 124.24 1rha n LYS 41 Ca -0.09 0.81 -0.02 0.00 -0.87 0.00 0.00 58.31 58.14 1rha n LYS 41 Cb 0.42 -2.60 0.07 0.00 0.02 0.00 0.00 35.03 32.94 1rha n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1rha h PRO 42 N 6.28 0.33 -3.55 1.64 0.13 -1.95 -3.40 132.00 131.48 1rha h PRO 42 Ca -0.45 -0.02 -0.25 0.00 -0.87 0.00 0.00 66.00 64.41 1rha h PRO 42 Cb 1.25 -0.07 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 1rha h PRO 42 CO 0.90 0.22 -0.69 0.08 -0.23 0.00 0.00 178.00 178.28 1rha s VAL 43 N -6.12 -0.03 -0.15 1.56 1.01 -1.26 -0.61 120.40 114.79 1rha s VAL 43 Ca -0.13 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1rha s VAL 43 Cb 0.15 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.50 1rha s VAL 43 CO 0.73 0.04 0.37 0.21 0.00 0.00 0.00 175.10 176.46 1rha s ASN 44 N 0.57 -0.46 -0.09 3.32 2.47 0.25 -5.01 114.94 116.00 1rha s ASN 44 Ca -0.05 0.81 0.01 0.00 0.42 0.00 0.00 52.86 54.05 1rha s ASN 44 Cb -0.06 0.69 -0.02 0.00 -1.45 0.00 0.00 41.25 40.40 1rha s ASN 44 CO -0.02 -0.18 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.19 1rha s THR 45 N 1.29 3.39 -0.12 -5.21 2.01 -1.26 -0.16 115.64 115.57 1rha s THR 45 Ca -0.09 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 1rha s THR 45 Cb -0.08 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.01 1rha s THR 45 CO -0.11 0.57 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.96 1rha s PHE 46 N -0.39 2.95 -0.26 4.92 0.08 -0.13 -4.34 117.98 120.81 1rha s PHE 46 Ca 0.05 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.77 1rha s PHE 46 Cb -0.12 -1.85 -0.01 0.00 -0.57 0.00 0.00 43.02 40.47 1rha s PHE 46 CO 0.02 0.06 0.05 0.08 -0.10 0.00 0.00 175.22 175.33 1rha s VAL 47 N -0.05 4.03 -1.24 -0.44 1.01 0.71 -0.27 120.40 124.14 1rha s VAL 47 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1rha s VAL 47 Cb -0.13 -2.94 0.18 0.00 0.00 0.00 0.00 36.38 33.48 1rha s VAL 47 CO 0.03 0.26 2.21 1.41 0.00 0.00 0.00 175.10 179.01 1rha n HIS 48 N 4.88 2.65 -4.05 5.22 -0.00 -0.43 -0.93 115.22 122.57 1rha n HIS 48 Ca -0.16 -2.75 -0.09 0.00 -0.00 0.00 0.00 57.72 54.72 1rha n HIS 48 Cb 0.50 -1.67 -0.09 0.00 -0.00 0.00 0.00 29.99 28.73 1rha n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rha s GLU 49 N -1.93 0.91 0.73 -0.41 0.41 -1.26 -4.57 118.70 112.58 1rha s GLU 49 Ca 0.49 -1.26 -0.15 0.00 -0.41 0.00 0.00 54.97 53.64 1rha s GLU 49 Cb 0.18 0.28 0.04 0.00 -1.78 0.00 0.00 34.13 32.85 1rha s GLU 49 CO -0.10 -0.27 1.20 -1.54 -0.49 0.00 0.00 175.26 174.06 1rha s SER 50 N -2.98 4.25 0.35 -0.19 1.04 -1.26 -4.35 113.70 110.56 1rha s SER 50 Ca 0.16 2.33 0.03 0.00 0.48 0.00 0.00 55.95 58.96 1rha s SER 50 Cb 0.06 -2.59 0.63 0.00 0.10 0.00 0.00 66.02 64.22 1rha s SER 50 CO -0.03 -2.22 1.94 0.25 0.98 0.00 0.00 173.24 174.16 1rha h LEU 51 N -0.28 0.61 -0.76 2.42 5.85 -1.99 -2.42 115.31 118.74 1rha h LEU 51 Ca -0.48 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.24 1rha h LEU 51 Cb 1.29 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1rha h LEU 51 CO 0.50 0.54 0.45 0.00 -0.34 0.00 0.00 178.44 179.59 1rha h ALA 52 N 1.55 1.03 -0.15 1.25 0.00 -1.99 0.10 119.26 121.06 1rha h ALA 52 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1rha h ALA 52 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1rha h ALA 52 CO -0.02 0.16 -0.30 -0.44 0.00 0.00 0.00 179.25 178.65 1rha h ASP 53 N 0.82 0.29 0.32 0.00 3.32 -1.80 -2.19 116.42 117.18 1rha h ASP 53 Ca 0.33 -0.10 -0.33 0.00 0.02 0.00 0.00 57.03 56.95 1rha h ASP 53 Cb 0.18 -0.08 0.03 0.00 0.22 0.00 0.00 39.33 39.68 1rha h ASP 53 CO -0.18 0.59 -1.49 0.58 -1.72 0.00 0.00 179.24 177.02 1rha h VAL 54 N 0.26 1.26 0.00 -1.35 2.07 -1.15 -3.23 116.25 114.11 1rha h VAL 54 Ca 0.04 -2.73 -0.06 0.00 0.82 0.00 0.00 66.70 64.76 1rha h VAL 54 Cb 0.67 2.98 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1rha h VAL 54 CO 0.05 0.83 -0.28 1.56 0.02 0.00 0.00 177.57 179.75 1rha h GLN 55 N 0.13 0.00 0.00 1.57 4.20 -0.80 -2.40 115.11 117.81 1rha h GLN 55 Ca -0.25 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 1rha h GLN 55 Cb 2.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.91 1rha h GLN 55 CO 0.25 0.28 -0.07 0.00 -0.67 0.00 0.00 178.83 178.61 1rha h ALA 56 N 1.72 1.39 0.00 3.87 0.00 -1.41 -2.62 119.26 122.22 1rha h ALA 56 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1rha h ALA 56 Cb 0.70 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1rha h ALA 56 CO 0.04 0.09 -0.04 0.28 0.00 0.00 0.00 179.25 179.62 1rha h VAL 57 N 0.00 0.50 0.00 0.00 2.07 -1.50 -2.18 116.25 115.14 1rha h VAL 57 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1rha h VAL 57 Cb 0.19 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1rha h VAL 57 CO 0.01 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1rha n SER 59 N -1.36 2.73 0.00 0.00 3.41 -0.82 -5.00 113.62 112.58 1rha n SER 59 Ca 0.04 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1rha n SER 59 Cb 0.10 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1rha n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rha n GLN 60 N -1.01 0.00 -2.63 4.33 6.02 -0.09 -5.01 117.38 118.99 1rha n GLN 60 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 1rha n GLN 60 Cb 0.65 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.89 1rha n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rha s LYS 61 N 3.80 3.64 0.09 -1.09 2.20 -1.01 -4.92 119.74 122.45 1rha s LYS 61 Ca 0.00 0.42 -0.31 0.00 -0.36 0.00 0.00 55.97 55.72 1rha s LYS 61 Cb 0.00 -3.94 -0.08 0.00 -1.51 0.00 0.00 37.83 32.30 1rha s LYS 61 CO 0.00 -1.44 1.44 1.21 -0.36 0.00 0.00 175.35 176.20 1rha s ASN 62 N 2.56 6.78 0.22 1.43 3.04 -1.26 -0.37 114.94 127.34 1rha s ASN 62 Ca 0.45 2.33 0.02 0.00 0.04 0.00 0.00 52.86 55.70 1rha s ASN 62 Cb -0.08 -2.58 -0.05 0.00 -1.54 0.00 0.00 41.25 37.01 1rha s ASN 62 CO 0.30 -0.71 0.03 0.68 -3.04 0.00 0.00 177.10 174.36 1rha s VAL 63 N 1.52 0.72 0.36 -5.21 -7.23 0.50 -4.90 120.40 106.16 1rha s VAL 63 Ca 0.66 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.60 1rha s VAL 63 Cb -0.37 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.12 1rha s VAL 63 CO 0.30 -0.28 0.92 0.00 -0.31 0.00 0.00 175.10 175.73 1rha s ALA 64 N -3.63 3.17 0.68 1.32 0.00 -1.26 -2.90 121.76 119.13 1rha s ALA 64 Ca 0.30 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 1rha s ALA 64 Cb 0.07 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 1rha s ALA 64 CO 0.08 0.18 1.07 0.00 0.00 0.00 0.00 175.76 177.09 1rha h LYS 66 N -0.57 0.00 -0.01 0.00 1.57 -1.91 -0.30 116.57 115.35 1rha h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1rha h LYS 66 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1rha h LYS 66 CO 0.63 0.14 -0.05 0.27 -0.57 0.00 0.00 179.45 179.87 1rha n ASN 67 N -3.93 0.91 0.00 0.86 0.23 -1.26 -4.91 115.26 107.15 1rha n ASN 67 Ca -0.02 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.88 1rha n ASN 67 Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1rha n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rha n GLY 68 N 1.17 2.64 3.74 4.83 0.00 -0.12 -5.09 105.19 112.37 1rha n GLY 68 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1rha n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rha s GLN 69 N -0.40 2.43 -0.27 1.61 -0.21 -1.26 -4.63 119.66 116.93 1rha s GLN 69 Ca 0.00 1.57 0.08 0.00 0.02 0.00 0.00 55.36 57.04 1rha s GLN 69 Cb 0.00 -1.89 0.45 0.00 1.00 0.00 0.00 33.01 32.57 1rha s GLN 69 CO 0.00 -1.57 1.25 0.25 -2.12 0.00 0.00 175.29 173.10 1rha n THR 70 N -2.62 2.45 -1.37 -0.19 -2.24 -1.26 0.80 114.28 109.85 1rha n THR 70 Ca 0.12 -3.69 -0.15 0.00 -2.27 0.00 0.00 64.05 58.06 1rha n THR 70 Cb 0.51 -0.73 0.18 0.00 -2.10 0.00 0.00 70.33 68.19 1rha n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rha n ASN 71 N -0.91 3.32 -4.79 3.42 6.94 -1.26 -4.83 115.26 117.15 1rha n ASN 71 Ca 0.34 -3.72 -0.23 0.00 -0.02 0.00 0.00 54.58 50.95 1rha n ASN 71 Cb 0.86 -0.73 -0.05 0.00 -2.36 0.00 0.00 39.78 37.49 1rha n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rha s TYR 73 N -2.05 0.03 -0.14 0.00 1.51 -0.28 -0.37 117.35 116.05 1rha s TYR 73 Ca 0.32 0.04 -0.04 0.00 -1.01 0.00 0.00 57.07 56.37 1rha s TYR 73 Cb -0.08 -0.09 -0.03 0.00 -0.11 0.00 0.00 41.96 41.64 1rha s TYR 73 CO 0.24 -0.03 0.01 -1.14 -1.11 0.00 0.00 175.55 173.52 1rha s GLN 74 N 0.35 3.51 0.41 -0.62 0.74 0.50 -1.45 119.66 123.09 1rha s GLN 74 Ca -0.03 -0.41 -0.26 0.00 0.05 0.00 0.00 55.36 54.71 1rha s GLN 74 Cb -0.04 -2.97 -0.08 0.00 1.10 0.00 0.00 33.01 31.01 1rha s GLN 74 CO -0.01 0.44 1.28 -1.54 -0.55 0.00 0.00 175.29 174.91 1rha s SER 75 N -0.14 6.31 0.14 6.67 1.04 -0.35 -2.41 113.70 124.97 1rha s SER 75 Ca 0.05 2.60 -0.18 0.00 0.48 0.00 0.00 55.95 58.90 1rha s SER 75 Cb -0.12 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.36 1rha s SER 75 CO 0.02 -0.84 1.77 1.88 0.98 0.00 0.00 173.24 177.05 1rha h TYR 76 N 2.62 0.27 -4.61 5.02 0.05 -1.95 -3.44 116.97 114.93 1rha h TYR 76 Ca -0.49 0.01 -0.37 0.00 0.05 0.00 0.00 58.73 57.92 1rha h TYR 76 Cb 1.25 -0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.84 1rha h TYR 76 CO 0.53 0.15 -0.27 -1.13 -1.05 0.00 0.00 178.16 176.39 1rha n SER 77 N -4.96 2.77 -4.87 3.88 3.41 -1.26 -5.09 113.62 107.50 1rha n SER 77 Ca -0.01 -2.25 -0.31 0.00 -0.26 0.00 0.00 58.87 56.04 1rha n SER 77 Cb 0.07 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1rha n SER 77 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rha s THR 78 N -2.02 4.71 0.11 6.66 -4.23 -1.26 -4.52 115.64 115.08 1rha s THR 78 Ca 0.00 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 61.36 1rha s THR 78 Cb -0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1rha s THR 78 CO 0.00 -0.83 -0.11 -0.04 -0.54 0.00 0.00 174.62 173.10 1rha s MET 79 N -4.50 0.91 -0.18 3.99 -1.94 0.21 -4.87 119.30 112.92 1rha s MET 79 Ca 0.54 -1.21 -0.29 0.00 -1.71 0.00 0.00 55.69 53.02 1rha s MET 79 Cb -0.10 -0.63 -0.00 0.00 2.01 0.00 0.00 34.83 36.10 1rha s MET 79 CO 0.41 0.10 1.15 0.45 -0.01 0.00 0.00 175.02 177.12 1rha s SER 80 N -2.52 7.03 0.17 3.03 0.15 -1.26 -1.33 113.70 118.97 1rha s SER 80 Ca 0.07 1.56 0.02 0.00 0.70 0.00 0.00 55.95 58.30 1rha s SER 80 Cb -0.03 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 1rha s SER 80 CO 0.01 -0.70 -0.01 0.27 1.20 0.00 0.00 173.24 174.01 1rha s ILE 81 N 3.22 0.70 -0.08 6.45 -4.36 -0.65 -1.31 121.20 125.17 1rha s ILE 81 Ca 0.50 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.89 1rha s ILE 81 Cb -0.19 -2.08 0.03 0.00 1.25 0.00 0.00 42.46 41.47 1rha s ILE 81 CO 0.12 -0.51 0.03 -0.89 0.24 0.00 0.00 174.94 173.92 1rha s THR 82 N -3.64 0.21 -0.17 8.37 2.01 0.63 -2.24 115.64 120.82 1rha s THR 82 Ca 0.23 0.15 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1rha s THR 82 Cb 0.06 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1rha s THR 82 CO 0.03 0.17 0.69 -0.62 -0.69 0.00 0.00 174.62 174.20 1rha s ASP 83 N 2.04 6.80 -0.28 3.53 -1.08 0.61 -0.95 116.67 127.33 1rha s ASP 83 Ca 0.04 0.98 -0.03 0.00 -0.52 0.00 0.00 52.55 53.03 1rha s ASP 83 Cb -0.13 -2.38 0.04 0.00 -1.46 0.00 0.00 42.92 38.99 1rha s ASP 83 CO -0.05 -0.27 -0.01 0.00 0.52 0.00 0.00 175.17 175.36 1rha s ARG 85 N 1.31 3.11 0.31 0.00 3.52 -0.69 -0.58 118.95 125.92 1rha s ARG 85 Ca -0.02 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 1rha s ARG 85 Cb -0.18 -2.66 -0.11 0.00 -1.56 0.00 0.00 34.95 30.43 1rha s ARG 85 CO -0.02 -0.16 1.57 -2.00 -0.81 0.00 0.00 175.30 173.88 1rha s GLU 86 N 1.24 4.12 0.28 5.12 2.12 0.22 -0.43 118.70 131.37 1rha s GLU 86 Ca 0.03 2.58 0.04 0.00 0.36 0.00 0.00 54.97 57.97 1rha s GLU 86 Cb -0.14 -3.01 0.04 0.00 0.26 0.00 0.00 34.13 31.28 1rha s GLU 86 CO -0.08 -0.61 0.31 0.25 -0.54 0.00 0.00 175.26 174.58 1rha n THR 87 N 1.88 0.00 0.00 -1.70 -2.24 0.13 -4.85 114.28 107.49 1rha n THR 87 Ca 0.07 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1rha n THR 87 Cb 0.38 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1rha n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rha n GLY 88 N 1.62 -2.98 0.00 3.38 0.00 -1.26 -3.88 105.19 102.07 1rha n GLY 88 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1rha n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rha n SER 89 N -0.58 0.00 -4.77 1.61 7.64 -1.26 -4.80 113.62 111.46 1rha n SER 89 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1rha n SER 89 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1rha n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1rha n SER 90 N -0.40 3.85 -3.34 6.43 7.64 -1.25 -4.81 113.62 121.74 1rha n SER 90 Ca 0.00 1.22 -0.13 0.00 1.01 0.00 0.00 58.87 60.97 1rha n SER 90 Cb 0.00 -1.62 -0.07 0.00 -1.01 0.00 0.00 64.21 61.50 1rha n SER 90 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1rha s LYS 91 N -1.90 0.48 0.28 1.43 2.47 -0.88 -4.94 119.74 116.68 1rha s LYS 91 Ca 0.54 -0.25 -0.28 0.00 -1.56 0.00 0.00 55.97 54.42 1rha s LYS 91 Cb -0.47 -0.50 -0.14 0.00 -1.46 0.00 0.00 37.83 35.26 1rha s LYS 91 CO 0.62 -1.09 0.99 0.98 0.16 0.00 0.00 175.35 177.01 1rha n TYR 92 N 4.97 1.19 1.77 4.03 4.19 -1.26 -0.01 117.16 132.04 1rha n TYR 92 Ca 0.04 0.72 0.08 0.00 3.31 0.00 0.00 57.90 62.05 1rha n TYR 92 Cb 0.48 -2.24 0.44 0.00 0.49 0.00 0.00 39.34 38.51 1rha n TYR 92 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1rha n PRO 93 N 0.80 1.20 -3.14 2.98 -0.04 -1.26 -4.99 135.00 130.55 1rha n PRO 93 Ca 0.10 -0.31 -0.44 0.00 -0.04 0.00 0.00 63.50 62.81 1rha n PRO 93 Cb 0.31 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1rha n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rha n ASN 94 N -0.45 5.74 -4.77 3.54 3.02 0.98 -5.04 115.26 118.29 1rha n ASN 94 Ca 0.13 -3.15 -0.40 0.00 -0.03 0.00 0.00 54.58 51.13 1rha n ASN 94 Cb 0.13 -1.38 -0.01 0.00 -0.61 0.00 0.00 39.78 37.91 1rha n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rha s ALA 96 N -1.19 2.19 0.03 0.00 0.00 -1.26 -4.92 121.76 116.61 1rha s ALA 96 Ca 0.53 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1rha s ALA 96 Cb -0.40 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1rha s ALA 96 CO 0.53 0.22 -0.08 0.71 0.00 0.00 0.00 175.76 177.14 1rha s TYR 97 N 0.44 0.72 -0.13 0.00 2.02 -1.26 -0.69 117.35 118.45 1rha s TYR 97 Ca -0.16 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 55.99 1rha s TYR 97 Cb -0.17 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1rha s TYR 97 CO 0.07 -0.04 0.49 0.21 -1.57 0.00 0.00 175.55 174.71 1rha s LYS 98 N -1.12 4.32 -0.25 -0.62 2.47 0.43 -4.62 119.74 120.35 1rha s LYS 98 Ca -0.05 0.46 -0.19 0.00 -1.56 0.00 0.00 55.97 54.64 1rha s LYS 98 Cb -0.07 -3.45 -0.03 0.00 -1.46 0.00 0.00 37.83 32.82 1rha s LYS 98 CO 0.00 0.11 0.55 0.99 0.16 0.00 0.00 175.35 177.16 1rha s THR 99 N 0.77 5.05 -0.26 3.43 2.01 -1.26 -1.71 115.64 123.67 1rha s THR 99 Ca 0.26 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 63.21 1rha s THR 99 Cb -0.15 -3.86 0.08 0.00 0.01 0.00 0.00 72.50 68.58 1rha s THR 99 CO 0.10 0.08 0.04 -0.89 -0.69 0.00 0.00 174.62 173.26 1rha s THR 100 N 2.28 1.05 -0.01 -0.82 2.01 -0.59 -5.00 115.64 114.56 1rha s THR 100 Ca 0.23 -1.17 -0.20 0.00 0.31 0.00 0.00 61.69 60.85 1rha s THR 100 Cb -0.16 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 1rha s THR 100 CO 0.09 -0.38 0.59 -1.58 -0.69 0.00 0.00 174.62 172.65 1rha s GLN 101 N 1.58 4.32 0.05 4.92 2.00 -1.26 -0.28 119.66 130.98 1rha s GLN 101 Ca 0.03 0.72 -0.27 0.00 -2.00 0.00 0.00 55.36 53.84 1rha s GLN 101 Cb -0.18 -3.35 0.07 0.00 0.80 0.00 0.00 33.01 30.35 1rha s GLN 101 CO -0.14 0.35 0.63 0.00 -0.50 0.00 0.00 175.29 175.62 1rha s ALA 102 N -0.11 -1.64 -0.37 1.58 0.00 -0.95 -5.01 121.76 115.26 1rha s ALA 102 Ca 0.31 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 1rha s ALA 102 Cb -0.18 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1rha s ALA 102 CO 0.17 -0.55 0.19 -0.80 0.00 0.00 0.00 175.76 174.76 1rha s ASN 103 N -1.93 5.64 0.16 0.00 -0.87 -1.26 -1.64 114.94 115.03 1rha s ASN 103 Ca -0.05 -1.06 -0.07 0.00 -1.57 0.00 0.00 52.86 50.10 1rha s ASN 103 Cb -0.00 -1.99 -0.02 0.00 -0.02 0.00 0.00 41.25 39.22 1rha s ASN 103 CO -0.01 -0.38 0.23 -0.54 -2.57 0.00 0.00 177.10 173.83 1rha s LYS 104 N 1.51 1.10 0.43 -0.60 1.02 -0.44 -4.84 119.74 117.92 1rha s LYS 104 Ca 0.01 -1.23 -0.22 0.00 0.02 0.00 0.00 55.97 54.55 1rha s LYS 104 Cb -0.19 0.35 -0.10 0.00 -0.52 0.00 0.00 37.83 37.36 1rha s LYS 104 CO 0.06 -0.38 1.00 -1.01 -0.92 0.00 0.00 175.35 174.09 1rha s HIS 105 N -3.99 3.25 0.18 3.18 3.76 -1.26 0.66 115.29 121.08 1rha s HIS 105 Ca 0.19 1.63 0.10 0.00 -0.15 0.00 0.00 55.06 56.82 1rha s HIS 105 Cb 0.04 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 1rha s HIS 105 CO 0.00 -0.41 -0.15 0.96 -0.85 0.00 0.00 174.74 174.29 1rha s ILE 106 N -1.92 2.90 -0.15 0.60 -4.36 -1.26 -0.75 121.20 116.25 1rha s ILE 106 Ca 0.61 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.24 1rha s ILE 106 Cb -0.16 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.16 1rha s ILE 106 CO 0.20 -0.10 -0.16 -0.63 0.24 0.00 0.00 174.94 174.49 1rha s ILE 107 N -1.65 1.74 0.14 8.37 1.01 0.94 -1.21 121.20 130.54 1rha s ILE 107 Ca 0.23 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.22 1rha s ILE 107 Cb -0.09 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1rha s ILE 107 CO 0.13 0.49 -0.18 0.68 0.00 0.00 0.00 174.94 176.06 1rha s VAL 108 N 1.36 1.66 -0.14 2.92 -7.23 -0.53 -0.03 120.40 118.41 1rha s VAL 108 Ca 0.04 -1.79 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1rha s VAL 108 Cb -0.13 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1rha s VAL 108 CO -0.10 -0.29 0.19 0.00 -0.31 0.00 0.00 175.10 174.58 1rha s ALA 109 N -1.90 3.76 0.15 1.32 0.00 -0.57 -1.12 121.76 123.40 1rha s ALA 109 Ca 0.12 -0.58 0.11 0.00 0.00 0.00 0.00 51.96 51.60 1rha s ALA 109 Cb -0.06 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1rha s ALA 109 CO 0.05 0.38 -0.25 0.00 0.00 0.00 0.00 175.76 175.94 1rha s GLU 111 N -2.32 1.19 0.93 0.00 2.02 -0.06 -4.90 118.70 115.55 1rha s GLU 111 Ca 0.16 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1rha s GLU 111 Cb -0.09 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.67 1rha s GLU 111 CO 0.07 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.24 1rha n GLY 112 N -0.35 -1.92 2.70 -1.39 0.00 -1.26 -1.99 105.19 100.98 1rha n GLY 112 Ca -0.13 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 1rha n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rha s ASN 113 N -4.00 3.55 0.59 1.61 3.04 -1.26 -2.67 114.94 115.79 1rha s ASN 113 Ca 0.00 -1.28 -0.20 0.00 0.04 0.00 0.00 52.86 51.42 1rha s ASN 113 Cb 0.00 -0.67 -0.03 0.00 -1.54 0.00 0.00 41.25 39.00 1rha s ASN 113 CO 0.00 -0.38 1.30 -2.16 -3.04 0.00 0.00 177.10 172.82 1rha s PRO 114 N 1.79 2.92 -0.73 0.43 0.04 -1.26 -5.09 135.00 133.10 1rha s PRO 114 Ca 0.06 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1rha s PRO 114 Cb -0.17 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1rha s PRO 114 CO -0.21 -1.32 1.24 -0.47 0.04 0.00 0.00 177.00 176.28 1rha s TYR 115 N -1.39 2.33 0.32 0.56 5.04 -1.09 -4.87 117.35 118.25 1rha s TYR 115 Ca 0.76 -0.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.33 1rha s TYR 115 Cb -0.37 -4.59 -0.06 0.00 0.35 0.00 0.00 41.96 37.28 1rha s TYR 115 CO 0.42 -2.03 0.00 0.14 -1.34 0.00 0.00 175.55 172.74 1rha s VAL 116 N 5.53 1.53 0.15 3.14 -7.23 -0.84 -4.84 120.40 117.85 1rha s VAL 116 Ca 0.33 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 1rha s VAL 116 Cb -0.09 -2.69 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 1rha s VAL 116 CO 0.14 -0.12 1.28 -2.84 -0.31 0.00 0.00 175.10 173.25 1rha s PRO 117 N -3.79 4.41 0.00 4.82 0.02 -1.26 -0.88 135.00 138.31 1rha s PRO 117 Ca 0.33 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1rha s PRO 117 Cb 0.07 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1rha s PRO 117 CO 0.15 -0.25 0.00 1.33 -0.33 0.00 0.00 177.00 177.89 1rha n VAL 118 N 3.09 0.00 -3.90 3.83 0.24 0.77 -4.47 118.33 117.90 1rha n VAL 118 Ca 0.07 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 1rha n VAL 118 Cb 0.44 0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 33.26 1rha n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rha s HIS 119 N -1.42 0.11 -0.33 6.34 5.65 -1.14 -4.58 115.29 119.92 1rha s HIS 119 Ca 0.00 -0.27 -0.15 0.00 0.25 0.00 0.00 55.06 54.89 1rha s HIS 119 Cb 0.00 -0.09 -0.02 0.00 -1.18 0.00 0.00 32.58 31.29 1rha s HIS 119 CO 0.00 -0.29 0.35 0.12 -0.65 0.00 0.00 174.74 174.27 1rha s PHE 120 N -1.62 3.22 -0.16 3.88 2.19 -1.26 -1.52 117.98 122.70 1rha s PHE 120 Ca -0.13 0.02 -0.09 0.00 0.33 0.00 0.00 56.93 57.06 1rha s PHE 120 Cb -0.07 -2.63 -0.23 0.00 -1.31 0.00 0.00 43.02 38.78 1rha s PHE 120 CO 0.00 -0.39 0.22 -3.47 1.83 0.00 0.00 175.22 173.41 1rha n ASP 121 N 5.34 2.05 -3.60 6.13 2.03 0.95 -4.96 116.55 124.49 1rha n ASP 121 Ca -0.10 0.21 -0.03 0.00 0.52 0.00 0.00 54.79 55.40 1rha n ASP 121 Cb 0.50 -0.82 -0.01 0.00 -0.72 0.00 0.00 41.12 40.06 1rha n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rha s ALA 122 N -2.51 -2.07 -0.11 -1.67 0.00 -0.87 -4.92 121.76 109.61 1rha s ALA 122 Ca -0.26 1.15 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1rha s ALA 122 Cb 0.07 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1rha s ALA 122 CO 0.70 -0.78 -0.18 -1.54 0.00 0.00 0.00 175.76 173.96 1rha s SER 123 N -2.51 2.67 0.00 0.00 1.04 -1.26 -0.04 113.70 113.60 1rha s SER 123 Ca 0.11 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1rha s SER 123 Cb 0.01 -1.22 0.00 0.00 0.10 0.00 0.00 66.02 64.91 1rha s SER 123 CO -0.04 0.06 0.22 1.33 0.98 0.00 0.00 173.24 175.79