#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbh s SER 22 N 0.00 3.45 0.00 6.43 0.01 -1.26 -4.99 113.70 117.33 1rbh s SER 22 Ca 0.00 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.02 1rbh s SER 22 Cb 0.00 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1rbh s SER 22 CO 0.00 -0.43 0.00 -1.20 0.41 0.00 0.00 173.24 172.02 1rbh n SER 23 N 5.21 0.00 -4.78 2.44 7.64 -1.26 -4.91 113.62 117.96 1rbh n SER 23 Ca -0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.52 1rbh n SER 23 Cb 0.43 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.71 1rbh n SER 23 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rbh s ASN 24 N 0.00 4.61 0.22 6.43 2.20 -1.26 -4.84 114.94 122.30 1rbh s ASN 24 Ca 0.00 1.58 -0.07 0.00 -0.94 0.00 0.00 52.86 53.42 1rbh s ASN 24 Cb 0.00 -2.34 0.34 0.00 -2.00 0.00 0.00 41.25 37.25 1rbh s ASN 24 CO 0.00 -1.93 1.76 0.22 -2.94 0.00 0.00 177.10 174.20 1rbh h TYR 25 N -1.06 0.53 -0.26 1.54 3.20 -1.97 -1.48 116.97 117.47 1rbh h TYR 25 Ca -0.45 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 1rbh h TYR 25 Cb 1.24 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1rbh h TYR 25 CO 0.54 0.15 0.04 0.00 -1.64 0.00 0.00 178.16 177.25 1rbh h ASN 27 N 0.23 0.72 0.12 0.00 -0.26 -1.79 0.49 115.58 115.09 1rbh h ASN 27 Ca 0.08 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 1rbh h ASN 27 Cb 0.33 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1rbh h ASN 27 CO 0.01 0.59 -0.06 1.56 -1.06 0.00 0.00 177.43 178.47 1rbh h GLN 28 N 0.78 -0.16 0.00 0.81 4.20 -1.09 -2.83 115.11 116.82 1rbh h GLN 28 Ca 0.21 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 1rbh h GLN 28 Cb 0.03 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1rbh h GLN 28 CO -0.03 0.03 -0.66 0.52 -0.67 0.00 0.00 178.83 178.02 1rbh h MET 29 N -0.32 0.00 -0.28 1.46 2.86 -0.56 -0.94 114.93 117.15 1rbh h MET 29 Ca -0.02 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1rbh h MET 29 Cb 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1rbh h MET 29 CO 0.03 0.66 -0.26 0.52 1.06 0.00 0.00 176.91 178.92 1rbh h MET 30 N 0.00 0.55 0.18 1.72 2.86 -0.95 -1.18 114.93 118.10 1rbh h MET 30 Ca -0.01 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1rbh h MET 30 Cb 1.20 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1rbh h MET 30 CO 0.09 0.76 -0.08 -0.22 1.06 0.00 0.00 176.91 178.51 1rbh h LYS 31 N 0.48 -0.23 -0.95 1.72 1.63 -1.32 0.83 116.57 118.73 1rbh h LYS 31 Ca 0.07 0.02 0.11 0.00 -0.85 0.00 0.00 60.65 59.99 1rbh h LYS 31 Cb 0.70 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.30 1rbh h LYS 31 CO 0.05 0.19 0.59 0.66 -3.45 0.00 0.00 179.45 177.49 1rbh h SER 32 N -0.78 0.86 -0.19 4.20 4.64 -1.07 -0.36 113.55 120.85 1rbh h SER 32 Ca -0.02 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rbh h SER 32 Cb 0.52 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1rbh h SER 32 CO 0.04 0.47 0.00 0.54 -0.87 0.00 0.00 176.83 177.01 1rbh n ARG 33 N -4.65 1.83 -2.94 4.77 5.12 -0.46 -4.90 116.66 115.44 1rbh n ARG 33 Ca 0.17 -0.85 -0.19 0.00 -1.93 0.00 0.00 57.85 55.06 1rbh n ARG 33 Cb 0.32 -1.46 0.03 0.00 -1.16 0.00 0.00 32.46 30.20 1rbh n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rbh n ASN 34 N 0.16 -5.42 -0.09 0.55 4.05 -0.15 -4.91 115.26 109.45 1rbh n ASN 34 Ca 0.08 -0.26 -0.11 0.00 0.45 0.00 0.00 54.58 54.74 1rbh n ASN 34 Cb 0.36 -4.24 -0.15 0.00 1.23 0.00 0.00 39.78 36.97 1rbh n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rbh n LEU 35 N -3.49 0.46 -0.22 1.20 4.32 0.24 -4.59 117.00 114.91 1rbh n LEU 35 Ca -0.09 0.05 0.08 0.00 -0.02 0.00 0.00 56.01 56.03 1rbh n LEU 35 Cb 0.60 0.29 0.14 0.00 -1.62 0.00 0.00 43.42 42.82 1rbh n LEU 35 CO 0.41 0.53 0.50 0.35 -1.22 0.00 0.00 177.39 177.96 1rbh n THR 36 N -2.85 1.74 0.07 -5.08 -2.24 -0.89 -4.38 114.28 100.65 1rbh n THR 36 Ca -0.32 -2.21 -0.09 0.00 -2.27 0.00 0.00 64.05 59.16 1rbh n THR 36 Cb 1.13 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1rbh n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rbh h LYS 37 N 0.19 0.28 0.00 -0.78 1.57 -1.81 -3.37 116.57 112.65 1rbh h LYS 37 Ca -0.00 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1rbh h LYS 37 Cb 1.05 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1rbh h LYS 37 CO 0.00 0.93 -0.07 -0.40 -0.57 0.00 0.00 179.45 179.35 1rbh n ASP 38 N -3.76 1.82 -3.65 0.86 5.68 -1.26 -5.07 116.55 111.17 1rbh n ASP 38 Ca -0.04 -2.56 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 1rbh n ASP 38 Cb 0.74 -0.27 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 1rbh n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbh s ARG 39 N -1.88 0.56 -0.23 0.11 1.70 -1.26 -5.12 118.95 112.84 1rbh s ARG 39 Ca 0.18 -0.31 -0.06 0.00 -0.47 0.00 0.00 55.73 55.07 1rbh s ARG 39 Cb 0.16 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 1rbh s ARG 39 CO 0.02 -0.26 0.03 0.00 -1.08 0.00 0.00 175.30 174.01 1rbh s LYS 41 N 1.34 4.41 0.16 0.00 2.20 -1.26 -4.99 119.74 121.60 1rbh s LYS 41 Ca 0.05 0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 56.36 1rbh s LYS 41 Cb -0.15 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1rbh s LYS 41 CO 0.02 0.18 1.73 -1.35 -0.36 0.00 0.00 175.35 175.57 1rbh h PRO 42 N 6.32 0.78 -3.69 4.03 0.11 -1.98 -3.43 132.00 134.15 1rbh h PRO 42 Ca -0.42 -0.13 -0.16 0.00 0.11 0.00 0.00 66.00 65.40 1rbh h PRO 42 Cb 1.20 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.96 1rbh h PRO 42 CO 0.73 0.66 -0.58 0.14 -0.21 0.00 0.00 178.00 178.75 1rbh s VAL 43 N -5.64 0.09 -0.08 3.15 -7.23 -1.26 -0.75 120.40 108.67 1rbh s VAL 43 Ca -0.13 -0.73 -0.24 0.00 -1.81 0.00 0.00 61.98 59.07 1rbh s VAL 43 Cb 0.12 -0.35 0.05 0.00 0.56 0.00 0.00 36.38 36.76 1rbh s VAL 43 CO 0.78 -0.40 0.55 0.21 -0.31 0.00 0.00 175.10 175.93 1rbh s ASN 44 N -1.33 -0.52 -0.07 4.85 2.47 -0.74 -5.02 114.94 114.58 1rbh s ASN 44 Ca -0.14 0.66 0.05 0.00 0.42 0.00 0.00 52.86 53.85 1rbh s ASN 44 Cb -0.08 0.64 -0.01 0.00 -1.45 0.00 0.00 41.25 40.35 1rbh s ASN 44 CO 0.01 -0.46 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.79 1rbh s THR 45 N -0.85 2.12 -0.08 -5.21 2.01 -1.26 -0.94 115.64 111.44 1rbh s THR 45 Ca -0.09 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.89 1rbh s THR 45 Cb -0.02 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1rbh s THR 45 CO 0.06 0.57 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.12 1rbh s PHE 46 N -0.00 2.92 -0.20 4.92 0.08 -0.02 -4.97 117.98 120.72 1rbh s PHE 46 Ca -0.08 -0.04 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 1rbh s PHE 46 Cb -0.15 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1rbh s PHE 46 CO 0.05 0.27 0.00 0.08 -0.10 0.00 0.00 175.22 175.53 1rbh s VAL 47 N -0.67 3.94 -1.04 -0.44 1.01 -1.26 -0.42 120.40 121.52 1rbh s VAL 47 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1rbh s VAL 47 Cb -0.11 -2.78 0.30 0.00 0.00 0.00 0.00 36.38 33.79 1rbh s VAL 47 CO 0.02 0.43 1.43 1.41 0.00 0.00 0.00 175.10 178.38 1rbh n HIS 48 N 4.28 2.35 -4.10 5.22 -0.00 0.24 -4.93 115.22 118.29 1rbh n HIS 48 Ca -0.17 -2.70 -0.10 0.00 -0.00 0.00 0.00 57.72 54.74 1rbh n HIS 48 Cb 0.52 -1.19 -0.09 0.00 -0.00 0.00 0.00 29.99 29.23 1rbh n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbh s GLU 49 N -2.82 1.11 0.63 -0.41 0.41 -1.26 -4.57 118.70 111.79 1rbh s GLU 49 Ca 0.32 -1.40 -0.16 0.00 -0.41 0.00 0.00 54.97 53.32 1rbh s GLU 49 Cb 0.06 0.31 -0.01 0.00 -1.78 0.00 0.00 34.13 32.70 1rbh s GLU 49 CO 0.09 -0.37 1.10 -1.54 -0.49 0.00 0.00 175.26 174.06 1rbh s SER 50 N -3.05 5.31 0.18 -0.19 1.04 -1.26 -4.88 113.70 110.86 1rbh s SER 50 Ca 0.26 1.98 -0.13 0.00 0.48 0.00 0.00 55.95 58.54 1rbh s SER 50 Cb 0.06 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 63.77 1rbh s SER 50 CO 0.04 -1.49 1.78 0.25 0.98 0.00 0.00 173.24 174.80 1rbh h LEU 51 N 0.24 0.32 -0.95 2.42 5.85 -1.99 -1.87 115.31 119.33 1rbh h LEU 51 Ca -0.47 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 1rbh h LEU 51 Cb 1.24 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1rbh h LEU 51 CO 0.55 0.22 -0.45 0.00 -0.34 0.00 0.00 178.44 178.43 1rbh h ALA 52 N 1.28 1.12 -0.07 1.25 0.00 -1.98 0.88 119.26 121.75 1rbh h ALA 52 Ca 0.23 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1rbh h ALA 52 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rbh h ALA 52 CO -0.17 0.60 -0.45 -0.44 0.00 0.00 0.00 179.25 178.79 1rbh h ASP 53 N 0.14 0.17 0.20 0.00 3.32 -1.82 0.03 116.42 118.46 1rbh h ASP 53 Ca 0.01 -0.07 -0.24 0.00 0.02 0.00 0.00 57.03 56.75 1rbh h ASP 53 Cb 0.85 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1rbh h ASP 53 CO 0.07 0.60 -0.95 0.58 -1.72 0.00 0.00 179.24 177.81 1rbh h VAL 54 N 0.13 1.35 -0.17 -1.35 2.07 -0.75 -3.09 116.25 114.45 1rbh h VAL 54 Ca 0.01 -2.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.16 1rbh h VAL 54 Cb 0.84 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1rbh h VAL 54 CO 0.07 0.71 -0.05 1.56 0.02 0.00 0.00 177.57 179.87 1rbh h GLN 55 N 0.30 0.25 0.00 1.57 4.20 -0.59 -2.32 115.11 118.53 1rbh h GLN 55 Ca -0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 1rbh h GLN 55 Cb 1.59 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.32 1rbh h GLN 55 CO 0.17 0.32 -0.01 0.00 -0.67 0.00 0.00 178.83 178.64 1rbh h ALA 56 N 1.71 1.25 0.00 3.87 0.00 -0.90 -2.66 119.26 122.54 1rbh h ALA 56 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1rbh h ALA 56 Cb 0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1rbh h ALA 56 CO 0.01 0.02 -0.06 0.28 0.00 0.00 0.00 179.25 179.49 1rbh h VAL 57 N 0.00 0.40 0.00 0.00 2.07 -1.50 -2.42 116.25 114.80 1rbh h VAL 57 Ca -0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1rbh h VAL 57 Cb 0.06 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1rbh h VAL 57 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1rbh n SER 59 N -1.23 2.10 0.00 0.00 3.41 -0.91 -5.00 113.62 111.99 1rbh n SER 59 Ca 0.07 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 1rbh n SER 59 Cb 0.10 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1rbh n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbh n GLN 60 N -1.29 0.48 -2.78 4.33 6.02 -0.15 -4.99 117.38 118.99 1rbh n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1rbh n GLN 60 Cb 0.66 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.89 1rbh n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbh s LYS 61 N 4.16 3.95 0.06 -1.09 2.47 -1.04 -4.85 119.74 123.40 1rbh s LYS 61 Ca 0.00 0.76 -0.31 0.00 -1.56 0.00 0.00 55.97 54.86 1rbh s LYS 61 Cb 0.00 -3.76 -0.07 0.00 -1.46 0.00 0.00 37.83 32.54 1rbh s LYS 61 CO 0.00 -0.87 1.39 1.21 0.16 0.00 0.00 175.35 177.24 1rbh s ASN 62 N 1.74 6.85 0.15 1.43 3.04 -1.26 -0.28 114.94 126.61 1rbh s ASN 62 Ca 0.39 2.21 0.00 0.00 0.04 0.00 0.00 52.86 55.51 1rbh s ASN 62 Cb -0.12 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.97 1rbh s ASN 62 CO 0.16 -0.67 0.04 0.68 -3.04 0.00 0.00 177.10 174.27 1rbh s VAL 63 N 1.72 0.32 0.41 -5.21 -7.23 -0.31 -4.92 120.40 105.17 1rbh s VAL 63 Ca 0.64 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.63 1rbh s VAL 63 Cb -0.34 -2.10 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 1rbh s VAL 63 CO 0.29 -0.44 1.07 0.00 -0.31 0.00 0.00 175.10 175.70 1rbh s ALA 64 N -3.90 3.07 0.68 1.32 0.00 -1.26 -3.18 121.76 118.48 1rbh s ALA 64 Ca 0.25 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1rbh s ALA 64 Cb 0.07 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1rbh s ALA 64 CO 0.03 -0.30 1.06 0.00 0.00 0.00 0.00 175.76 176.56 1rbh h LYS 66 N -0.54 0.37 0.00 0.00 1.57 -1.92 0.45 116.57 116.50 1rbh h LYS 66 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rbh h LYS 66 Cb 1.24 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rbh h LYS 66 CO 0.63 0.24 0.00 0.27 -0.57 0.00 0.00 179.45 180.02 1rbh n ASN 67 N -4.47 0.00 0.00 0.86 0.23 -1.26 -4.91 115.26 105.71 1rbh n ASN 67 Ca 0.16 -0.52 0.00 0.00 -0.53 0.00 0.00 54.58 53.69 1rbh n ASN 67 Cb 0.60 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1rbh n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rbh n GLY 68 N 0.74 2.97 3.66 4.83 0.00 0.15 -5.07 105.19 112.47 1rbh n GLY 68 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1rbh n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rbh s GLN 69 N -0.01 0.83 -0.25 1.61 -1.52 -1.26 -4.47 119.66 114.59 1rbh s GLN 69 Ca 0.00 1.51 0.11 0.00 -1.95 0.00 0.00 55.36 55.03 1rbh s GLN 69 Cb 0.00 -1.71 0.48 0.00 -0.22 0.00 0.00 33.01 31.57 1rbh s GLN 69 CO 0.00 -2.75 1.41 0.25 -0.25 0.00 0.00 175.29 173.94 1rbh n THR 70 N -4.31 2.42 -1.35 -0.19 -2.24 -1.26 -0.23 114.28 107.12 1rbh n THR 70 Ca 0.11 -2.64 -0.31 0.00 -2.27 0.00 0.00 64.05 58.94 1rbh n THR 70 Cb 0.52 -0.30 0.10 0.00 -2.10 0.00 0.00 70.33 68.56 1rbh n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rbh n ASN 71 N -1.05 6.51 -4.68 3.42 6.94 -1.26 -4.75 115.26 120.39 1rbh n ASN 71 Ca 0.28 -3.75 -0.29 0.00 -0.02 0.00 0.00 54.58 50.81 1rbh n ASN 71 Cb 0.94 -0.90 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 1rbh n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbh s TYR 73 N -1.46 0.03 -0.14 0.00 1.51 -0.17 -1.16 117.35 115.96 1rbh s TYR 73 Ca 0.26 -0.00 -0.03 0.00 -1.01 0.00 0.00 57.07 56.28 1rbh s TYR 73 Cb -0.11 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1rbh s TYR 73 CO 0.18 -0.00 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.45 1rbh s GLN 74 N 0.01 3.53 0.36 -0.62 0.74 0.62 -1.82 119.66 122.48 1rbh s GLN 74 Ca -0.00 -0.50 -0.28 0.00 0.05 0.00 0.00 55.36 54.64 1rbh s GLN 74 Cb -0.00 -2.89 -0.10 0.00 1.10 0.00 0.00 33.01 31.12 1rbh s GLN 74 CO -0.00 0.34 1.31 -1.54 -0.55 0.00 0.00 175.29 174.85 1rbh s SER 75 N 0.10 6.60 0.26 6.67 1.04 -0.38 -2.50 113.70 125.50 1rbh s SER 75 Ca -0.00 2.69 -0.01 0.00 0.48 0.00 0.00 55.95 59.10 1rbh s SER 75 Cb -0.13 -2.65 0.35 0.00 0.10 0.00 0.00 66.02 63.69 1rbh s SER 75 CO 0.03 -0.66 1.75 1.88 0.98 0.00 0.00 173.24 177.22 1rbh h TYR 76 N 3.11 0.80 -1.85 5.02 0.05 -1.96 -3.44 116.97 118.70 1rbh h TYR 76 Ca -0.49 -0.12 -0.52 0.00 0.05 0.00 0.00 58.73 57.65 1rbh h TYR 76 Cb 1.23 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.70 1rbh h TYR 76 CO 0.55 0.77 -0.49 0.45 -1.05 0.00 0.00 178.16 178.38 1rbh s SER 77 N -6.68 4.96 0.56 3.88 0.15 -1.26 -5.06 113.70 110.25 1rbh s SER 77 Ca -0.09 -0.65 -0.16 0.00 0.70 0.00 0.00 55.95 55.75 1rbh s SER 77 Cb 0.14 -0.83 -0.06 0.00 -1.71 0.00 0.00 66.02 63.57 1rbh s SER 77 CO 0.81 -0.33 1.02 0.42 1.20 0.00 0.00 173.24 176.35 1rbh s THR 78 N -2.37 4.24 0.11 6.45 -4.23 -1.26 -4.41 115.64 114.17 1rbh s THR 78 Ca 0.39 1.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.99 1rbh s THR 78 Cb -0.04 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 1rbh s THR 78 CO 0.24 -0.66 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.49 1rbh s MET 79 N -4.19 0.96 -0.12 3.99 -1.94 0.93 -4.81 119.30 114.11 1rbh s MET 79 Ca 0.60 -1.18 -0.29 0.00 -1.71 0.00 0.00 55.69 53.11 1rbh s MET 79 Cb -0.13 -0.85 -0.02 0.00 2.01 0.00 0.00 34.83 35.84 1rbh s MET 79 CO 0.36 0.16 1.30 0.45 -0.01 0.00 0.00 175.02 177.29 1rbh s SER 80 N -2.32 6.93 0.05 3.03 0.15 -1.26 -0.90 113.70 119.37 1rbh s SER 80 Ca 0.06 1.80 0.03 0.00 0.70 0.00 0.00 55.95 58.55 1rbh s SER 80 Cb -0.06 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1rbh s SER 80 CO 0.02 -0.75 -0.10 0.27 1.20 0.00 0.00 173.24 173.89 1rbh s ILE 81 N 3.25 0.75 -0.16 6.45 -4.36 0.19 -0.59 121.20 126.73 1rbh s ILE 81 Ca 0.58 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 1rbh s ILE 81 Cb -0.24 -0.77 0.00 0.00 1.25 0.00 0.00 42.46 42.71 1rbh s ILE 81 CO 0.18 -0.29 -0.16 -0.89 0.24 0.00 0.00 174.94 174.02 1rbh s THR 82 N -1.26 2.51 -0.06 8.37 2.01 0.45 -1.34 115.64 126.31 1rbh s THR 82 Ca -0.06 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1rbh s THR 82 Cb -0.10 -2.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 1rbh s THR 82 CO 0.01 0.52 0.45 -1.81 -0.69 0.00 0.00 174.62 173.10 1rbh s ASP 83 N 0.96 6.74 -0.17 3.53 1.01 0.82 -0.84 116.67 128.73 1rbh s ASP 83 Ca -0.03 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.12 1rbh s ASP 83 Cb -0.15 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.51 1rbh s ASP 83 CO -0.03 0.14 -0.16 0.00 0.21 0.00 0.00 175.17 175.33 1rbh s ARG 85 N 1.05 1.18 0.42 0.00 6.06 -0.41 -1.79 118.95 125.46 1rbh s ARG 85 Ca -0.01 -0.27 -0.26 0.00 -2.50 0.00 0.00 55.73 52.69 1rbh s ARG 85 Cb -0.15 -1.06 -0.09 0.00 0.06 0.00 0.00 34.95 33.72 1rbh s ARG 85 CO -0.05 0.01 1.40 -1.21 -2.50 0.00 0.00 175.30 172.96 1rbh s GLU 86 N 0.63 3.84 0.90 5.12 2.02 0.07 -0.08 118.70 131.19 1rbh s GLU 86 Ca -0.11 2.37 -0.12 0.00 0.02 0.00 0.00 54.97 57.14 1rbh s GLU 86 Cb -0.14 -2.74 0.13 0.00 0.10 0.00 0.00 34.13 31.48 1rbh s GLU 86 CO 0.02 -0.68 1.13 0.95 0.02 0.00 0.00 175.26 176.70 1rbh s THR 87 N -1.20 2.16 -0.73 3.63 -4.23 -0.55 -4.79 115.64 109.93 1rbh s THR 87 Ca 0.58 0.05 0.22 0.00 -1.18 0.00 0.00 61.69 61.37 1rbh s THR 87 Cb -0.43 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 70.84 1rbh s THR 87 CO 0.55 -0.07 1.69 0.61 -0.54 0.00 0.00 174.62 176.86 1rbh n GLY 88 N -2.16 -1.31 1.54 3.99 0.00 -1.26 -2.67 105.19 103.32 1rbh n GLY 88 Ca 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.09 1rbh n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rbh n SER 89 N -1.96 4.29 -4.73 1.61 7.64 -1.26 -4.96 113.62 114.25 1rbh n SER 89 Ca 0.04 -3.22 -0.36 0.00 1.01 0.00 0.00 58.87 56.33 1rbh n SER 89 Cb 0.26 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.73 1rbh n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rbh s SER 90 N -1.51 6.40 -0.03 6.43 0.15 -1.09 -4.89 113.70 119.16 1rbh s SER 90 Ca 0.50 0.47 -0.01 0.00 0.70 0.00 0.00 55.95 57.61 1rbh s SER 90 Cb 0.41 -2.17 0.03 0.00 -1.71 0.00 0.00 66.02 62.58 1rbh s SER 90 CO 0.10 0.11 0.07 -0.54 1.20 0.00 0.00 173.24 174.17 1rbh s LYS 91 N 0.48 0.00 0.32 5.44 -0.14 -1.20 -4.93 119.74 119.71 1rbh s LYS 91 Ca 0.15 0.24 -0.29 0.00 -1.36 0.00 0.00 55.97 54.72 1rbh s LYS 91 Cb -0.13 -0.23 -0.12 0.00 -1.68 0.00 0.00 37.83 35.68 1rbh s LYS 91 CO 0.03 -0.17 1.41 0.98 -0.76 0.00 0.00 175.35 176.84 1rbh n TYR 92 N 4.19 2.52 1.29 3.18 9.36 -1.26 -0.20 117.16 136.23 1rbh n TYR 92 Ca -0.27 0.45 0.14 0.00 3.32 0.00 0.00 57.90 61.54 1rbh n TYR 92 Cb 0.51 -2.48 0.70 0.00 -0.63 0.00 0.00 39.34 37.43 1rbh n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rbh n PRO 93 N 1.09 0.31 -2.55 2.98 -0.04 -1.26 -4.96 135.00 130.56 1rbh n PRO 93 Ca 0.06 -0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.08 1rbh n PRO 93 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1rbh n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbh n ASN 94 N -1.33 6.42 -4.76 3.54 4.13 0.71 -4.85 115.26 119.13 1rbh n ASN 94 Ca 0.12 -3.31 -0.38 0.00 1.68 0.00 0.00 54.58 52.68 1rbh n ASN 94 Cb 0.28 -1.34 0.03 0.00 -1.54 0.00 0.00 39.78 37.21 1rbh n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rbh s ALA 96 N -1.31 -0.32 0.04 0.00 0.00 -1.26 0.16 121.76 119.06 1rbh s ALA 96 Ca 0.68 0.32 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1rbh s ALA 96 Cb -0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1rbh s ALA 96 CO 0.48 -0.07 -0.14 0.71 0.00 0.00 0.00 175.76 176.74 1rbh s TYR 97 N -0.04 1.18 -0.13 0.00 2.02 -1.26 -1.48 117.35 117.64 1rbh s TYR 97 Ca -0.01 -0.36 -0.14 0.00 -0.37 0.00 0.00 57.07 56.19 1rbh s TYR 97 Cb -0.01 -0.70 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1rbh s TYR 97 CO 0.00 0.03 0.32 0.15 -1.57 0.00 0.00 175.55 174.48 1rbh s LYS 98 N -1.18 4.15 -0.28 -0.62 -0.14 0.88 -4.84 119.74 117.70 1rbh s LYS 98 Ca 0.01 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 54.68 1rbh s LYS 98 Cb -0.08 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.65 1rbh s LYS 98 CO 0.01 0.35 0.18 0.99 -0.76 0.00 0.00 175.35 176.12 1rbh s THR 99 N 0.11 5.23 -0.15 2.17 2.01 -1.26 -1.29 115.64 122.46 1rbh s THR 99 Ca 0.19 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1rbh s THR 99 Cb -0.14 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1rbh s THR 99 CO 0.06 0.25 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.17 1rbh s THR 100 N 1.75 1.81 -0.13 -0.82 2.01 -0.25 -4.98 115.64 115.02 1rbh s THR 100 Ca 0.07 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.18 1rbh s THR 100 Cb -0.16 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1rbh s THR 100 CO 0.10 0.50 0.17 -1.58 -0.69 0.00 0.00 174.62 173.12 1rbh s GLN 101 N 1.16 3.67 0.23 4.92 2.00 -1.26 -0.13 119.66 130.26 1rbh s GLN 101 Ca -0.00 -0.09 -0.18 0.00 -2.00 0.00 0.00 55.36 53.09 1rbh s GLN 101 Cb -0.14 -3.25 0.02 0.00 0.80 0.00 0.00 33.01 30.44 1rbh s GLN 101 CO -0.07 0.65 0.60 0.00 -0.50 0.00 0.00 175.29 175.96 1rbh s ALA 102 N -0.69 -0.96 -0.24 1.58 0.00 -0.45 -5.00 121.76 116.00 1rbh s ALA 102 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1rbh s ALA 102 Cb -0.12 0.90 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1rbh s ALA 102 CO 0.04 -0.90 -0.09 -0.80 0.00 0.00 0.00 175.76 174.01 1rbh s ASN 103 N -2.91 4.18 0.06 0.00 0.01 -1.26 -0.64 114.94 114.39 1rbh s ASN 103 Ca 0.12 -0.95 -0.04 0.00 -0.71 0.00 0.00 52.86 51.28 1rbh s ASN 103 Cb -0.03 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.99 1rbh s ASN 103 CO 0.02 -0.12 0.05 -0.54 -1.51 0.00 0.00 177.10 175.00 1rbh s LYS 104 N 1.28 0.69 0.26 -0.60 1.02 -0.08 -4.78 119.74 117.53 1rbh s LYS 104 Ca -0.01 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 1rbh s LYS 104 Cb -0.17 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.31 1rbh s LYS 104 CO -0.06 -0.17 1.11 -1.01 -0.92 0.00 0.00 175.35 174.30 1rbh s HIS 105 N -3.80 3.57 0.13 3.18 3.76 -0.07 -0.05 115.29 122.02 1rbh s HIS 105 Ca 0.05 1.67 0.05 0.00 -0.15 0.00 0.00 55.06 56.68 1rbh s HIS 105 Cb 0.06 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.42 1rbh s HIS 105 CO -0.10 -0.60 0.09 0.96 -0.85 0.00 0.00 174.74 174.24 1rbh s ILE 106 N -1.01 4.36 -0.14 0.60 -4.36 -1.26 -1.00 121.20 118.39 1rbh s ILE 106 Ca 0.45 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 1rbh s ILE 106 Cb -0.32 -3.17 0.02 0.00 1.25 0.00 0.00 42.46 40.25 1rbh s ILE 106 CO 0.40 -0.01 -0.13 -0.63 0.24 0.00 0.00 174.94 174.81 1rbh s ILE 107 N -1.59 1.48 0.12 8.37 1.01 0.83 -1.25 121.20 130.16 1rbh s ILE 107 Ca 0.29 -0.58 0.09 0.00 0.00 0.00 0.00 60.65 60.45 1rbh s ILE 107 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1rbh s ILE 107 CO 0.22 0.44 -0.21 0.68 0.00 0.00 0.00 174.94 176.07 1rbh s VAL 108 N 1.43 1.82 -0.10 2.92 -7.23 -0.76 0.17 120.40 118.66 1rbh s VAL 108 Ca 0.03 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.44 1rbh s VAL 108 Cb -0.13 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1rbh s VAL 108 CO -0.09 -0.09 0.25 0.00 -0.31 0.00 0.00 175.10 174.87 1rbh s ALA 109 N -1.31 3.76 0.06 1.32 0.00 -0.34 -1.00 121.76 124.24 1rbh s ALA 109 Ca 0.09 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1rbh s ALA 109 Cb -0.09 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 1rbh s ALA 109 CO 0.05 0.44 -0.25 0.00 0.00 0.00 0.00 175.76 176.00 1rbh s GLU 111 N -1.40 1.08 0.12 0.00 2.02 -0.50 -4.89 118.70 115.13 1rbh s GLU 111 Ca 0.11 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.42 1rbh s GLU 111 Cb -0.10 0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.61 1rbh s GLU 111 CO 0.03 -0.42 0.00 0.41 0.02 0.00 0.00 175.26 175.29 1rbh n GLY 112 N -0.22 -3.05 2.67 -1.39 0.00 -1.26 -1.78 105.19 100.16 1rbh n GLY 112 Ca -0.16 -1.89 -0.22 0.00 0.00 0.00 0.00 46.02 43.76 1rbh n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbh s ASN 113 N -1.80 1.49 0.59 1.61 3.84 -1.26 -2.66 114.94 116.74 1rbh s ASN 113 Ca 0.00 -0.13 -0.20 0.00 0.21 0.00 0.00 52.86 52.75 1rbh s ASN 113 Cb 0.00 -0.13 -0.03 0.00 -0.55 0.00 0.00 41.25 40.54 1rbh s ASN 113 CO 0.00 -0.28 1.29 -2.16 -2.79 0.00 0.00 177.10 173.16 1rbh s PRO 114 N 2.17 2.92 -0.46 0.43 0.04 -1.26 -5.03 135.00 133.81 1rbh s PRO 114 Ca 0.04 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 62.86 1rbh s PRO 114 Cb -0.13 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 1rbh s PRO 114 CO -0.05 -1.31 1.77 -0.47 0.04 0.00 0.00 177.00 176.98 1rbh s TYR 115 N -1.41 1.82 0.14 0.56 5.04 -1.09 -4.88 117.35 117.54 1rbh s TYR 115 Ca 0.77 0.70 0.05 0.00 -2.44 0.00 0.00 57.07 56.15 1rbh s TYR 115 Cb -0.37 -4.14 -0.04 0.00 0.35 0.00 0.00 41.96 37.77 1rbh s TYR 115 CO 0.41 -2.54 -0.12 0.14 -1.34 0.00 0.00 175.55 172.10 1rbh s VAL 116 N 7.64 1.29 0.16 3.14 -7.23 -0.73 -4.84 120.40 119.82 1rbh s VAL 116 Ca 0.72 -1.95 -0.32 0.00 -1.81 0.00 0.00 61.98 58.62 1rbh s VAL 116 Cb -0.17 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.93 1rbh s VAL 116 CO 0.28 -0.61 1.56 -2.84 -0.31 0.00 0.00 175.10 173.18 1rbh s PRO 117 N -3.33 4.22 0.00 4.82 0.02 -1.26 -1.41 135.00 138.05 1rbh s PRO 117 Ca 0.14 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1rbh s PRO 117 Cb -0.01 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.34 1rbh s PRO 117 CO 0.02 -0.60 0.00 1.33 -0.33 0.00 0.00 177.00 177.42 1rbh n VAL 118 N 3.99 0.00 -3.89 3.83 0.24 -0.39 -4.92 118.33 117.18 1rbh n VAL 118 Ca 0.14 -0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.27 1rbh n VAL 118 Cb 0.39 0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 33.19 1rbh n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rbh s HIS 119 N -1.78 0.06 -0.37 6.34 3.76 -1.18 -5.00 115.29 117.13 1rbh s HIS 119 Ca 0.00 -0.12 -0.15 0.00 -0.15 0.00 0.00 55.06 54.64 1rbh s HIS 119 Cb 0.00 -0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.63 1rbh s HIS 119 CO 0.00 -0.18 0.32 0.12 -0.85 0.00 0.00 174.74 174.15 1rbh s PHE 120 N -0.93 3.22 -0.07 1.40 2.19 -1.26 -1.20 117.98 121.33 1rbh s PHE 120 Ca -0.10 -0.26 -0.09 0.00 0.33 0.00 0.00 56.93 56.81 1rbh s PHE 120 Cb -0.06 -2.62 -0.29 0.00 -1.31 0.00 0.00 43.02 38.74 1rbh s PHE 120 CO 0.00 -0.48 0.59 0.22 1.83 0.00 0.00 175.22 177.38 1rbh h ASP 121 N 8.55 0.54 -5.90 6.13 3.58 -0.61 -3.48 116.42 125.22 1rbh h ASP 121 Ca -0.29 -0.90 0.37 0.00 0.42 0.00 0.00 57.03 56.62 1rbh h ASP 121 Cb 1.14 -0.18 -0.13 0.00 1.72 0.00 0.00 39.33 41.88 1rbh h ASP 121 CO 0.70 1.78 0.93 0.00 -2.88 0.00 0.00 179.24 179.76 1rbh s ALA 122 N -2.58 -2.42 0.01 -0.78 0.00 -1.00 -4.94 121.76 110.05 1rbh s ALA 122 Ca -0.17 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1rbh s ALA 122 Cb 0.06 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 1rbh s ALA 122 CO 0.83 -1.07 -0.20 -1.12 0.00 0.00 0.00 175.76 174.21 1rbh s SER 123 N -3.05 2.32 0.00 0.00 0.01 -1.26 -0.12 113.70 111.59 1rbh s SER 123 Ca 0.16 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1rbh s SER 123 Cb 0.06 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1rbh s SER 123 CO -0.05 0.20 0.10 1.33 0.41 0.00 0.00 173.24 175.22