#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbf n SER 22 N 0.00 0.00 -4.78 6.43 7.64 -1.26 -4.88 113.62 116.77 1rbf n SER 22 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1rbf n SER 22 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1rbf n SER 22 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rbf s SER 23 N 2.00 5.43 0.00 6.43 0.01 -1.26 -4.36 113.70 121.95 1rbf s SER 23 Ca 0.00 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1rbf s SER 23 Cb 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1rbf s SER 23 CO 0.00 0.09 0.00 -0.46 0.41 0.00 0.00 173.24 173.28 1rbf n ASN 24 N -0.18 0.00 -0.21 2.44 0.23 -1.26 -4.87 115.26 111.42 1rbf n ASN 24 Ca -0.09 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 53.98 1rbf n ASN 24 Cb 0.54 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.36 1rbf n ASN 24 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1rbf h TYR 25 N 0.00 0.23 -0.67 -2.53 3.20 -1.98 -0.86 116.97 114.36 1rbf h TYR 25 Ca 0.00 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1rbf h TYR 25 Cb 0.00 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1rbf h TYR 25 CO 0.00 -0.02 0.18 0.00 -1.64 0.00 0.00 178.16 176.68 1rbf h ASN 27 N 1.00 0.72 0.15 0.00 2.35 -1.66 0.05 115.58 118.19 1rbf h ASN 27 Ca 0.21 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1rbf h ASN 27 Cb 0.34 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1rbf h ASN 27 CO -0.00 0.73 -0.07 1.56 -1.65 0.00 0.00 177.43 178.00 1rbf h GLN 28 N 0.66 -0.20 -0.04 0.81 7.50 -0.93 -2.72 115.11 120.19 1rbf h GLN 28 Ca 0.16 0.01 -0.17 0.00 0.50 0.00 0.00 58.65 59.15 1rbf h GLN 28 Cb 0.27 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 1rbf h GLN 28 CO -0.00 0.04 -0.73 0.52 -1.50 0.00 0.00 178.83 177.15 1rbf h MET 29 N -0.41 0.25 -0.42 1.46 2.86 -0.63 -0.51 114.93 117.53 1rbf h MET 29 Ca -0.02 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.34 1rbf h MET 29 Cb 0.32 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1rbf h MET 29 CO 0.03 0.87 -0.03 0.52 1.06 0.00 0.00 176.91 179.37 1rbf h MET 30 N 0.16 0.69 0.02 1.72 2.86 -1.06 -0.23 114.93 119.09 1rbf h MET 30 Ca -0.03 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1rbf h MET 30 Cb 1.30 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1rbf h MET 30 CO 0.11 0.72 -0.01 -0.22 1.06 0.00 0.00 176.91 178.58 1rbf h LYS 31 N 0.64 -0.02 -0.94 1.72 1.63 -1.22 0.19 116.57 118.56 1rbf h LYS 31 Ca 0.13 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.99 1rbf h LYS 31 Cb 0.44 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.01 1rbf h LYS 31 CO 0.02 0.64 0.60 0.66 -3.45 0.00 0.00 179.45 177.92 1rbf h SER 32 N -0.72 0.95 -0.09 4.20 4.64 -0.97 0.64 113.55 122.20 1rbf h SER 32 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1rbf h SER 32 Cb 0.67 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1rbf h SER 32 CO 0.00 0.61 0.00 0.54 -0.87 0.00 0.00 176.83 177.12 1rbf n ARG 33 N -4.55 1.29 -2.82 4.77 5.12 -0.11 -4.86 116.66 115.50 1rbf n ARG 33 Ca 0.14 -0.36 -0.17 0.00 -1.93 0.00 0.00 57.85 55.52 1rbf n ARG 33 Cb 0.17 -1.19 0.03 0.00 -1.16 0.00 0.00 32.46 30.30 1rbf n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1rbf n ASN 34 N -0.15 -5.07 -0.05 0.55 4.05 0.22 -4.91 115.26 109.89 1rbf n ASN 34 Ca 0.03 -0.21 -0.08 0.00 0.45 0.00 0.00 54.58 54.77 1rbf n ASN 34 Cb 0.15 -3.93 -0.15 0.00 1.23 0.00 0.00 39.78 37.08 1rbf n ASN 34 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1rbf n LEU 35 N -3.12 0.44 -0.30 1.20 4.32 0.61 -4.49 117.00 115.66 1rbf n LEU 35 Ca -0.09 0.21 0.08 0.00 -0.02 0.00 0.00 56.01 56.18 1rbf n LEU 35 Cb 0.60 0.31 0.15 0.00 -1.62 0.00 0.00 43.42 42.86 1rbf n LEU 35 CO 0.36 0.41 0.60 0.35 -1.22 0.00 0.00 177.39 177.89 1rbf n THR 36 N -2.87 1.82 0.10 -5.08 -2.24 -0.96 -4.19 114.28 100.86 1rbf n THR 36 Ca -0.23 -1.93 -0.05 0.00 -2.27 0.00 0.00 64.05 59.56 1rbf n THR 36 Cb 1.07 -0.10 0.07 0.00 -2.10 0.00 0.00 70.33 69.26 1rbf n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1rbf h LYS 37 N 0.58 0.14 0.00 -0.78 1.57 -1.82 -3.35 116.57 112.90 1rbf h LYS 37 Ca 0.00 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1rbf h LYS 37 Cb 1.03 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1rbf h LYS 37 CO 0.06 0.81 -0.03 -0.40 -0.57 0.00 0.00 179.45 179.32 1rbf n ASP 38 N -3.73 1.70 -3.68 0.86 5.68 -1.26 -5.05 116.55 111.07 1rbf n ASP 38 Ca -0.02 -2.14 -0.02 0.00 -0.50 0.00 0.00 54.79 52.11 1rbf n ASP 38 Cb 0.71 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.56 1rbf n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbf s ARG 39 N -1.27 0.81 -0.34 0.11 3.03 -1.26 -5.11 118.95 114.91 1rbf s ARG 39 Ca 0.08 -0.44 -0.09 0.00 2.03 0.00 0.00 55.73 57.32 1rbf s ARG 39 Cb 0.07 0.28 0.03 0.00 -1.03 0.00 0.00 34.95 34.30 1rbf s ARG 39 CO 0.01 -0.37 0.15 0.00 -1.13 0.00 0.00 175.30 173.95 1rbf s LYS 41 N 1.50 4.43 0.17 0.00 2.20 -1.26 -4.96 119.74 121.81 1rbf s LYS 41 Ca 0.01 1.77 -0.15 0.00 -0.36 0.00 0.00 55.97 57.24 1rbf s LYS 41 Cb -0.19 -3.35 0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1rbf s LYS 41 CO 0.05 -0.26 1.82 -1.35 -0.36 0.00 0.00 175.35 175.24 1rbf h PRO 42 N 6.82 0.60 -3.91 4.03 0.11 -1.98 -3.43 132.00 134.24 1rbf h PRO 42 Ca -0.41 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 1rbf h PRO 42 Cb 1.21 -0.13 -0.23 0.00 0.11 0.00 0.00 31.00 31.96 1rbf h PRO 42 CO 0.81 0.40 -0.70 0.14 -0.21 0.00 0.00 178.00 178.43 1rbf s VAL 43 N -6.15 0.08 -0.17 3.15 -7.23 -1.26 -0.64 120.40 108.18 1rbf s VAL 43 Ca -0.13 -0.67 -0.23 0.00 -1.81 0.00 0.00 61.98 59.14 1rbf s VAL 43 Cb 0.12 -0.20 0.06 0.00 0.56 0.00 0.00 36.38 36.92 1rbf s VAL 43 CO 0.74 -0.37 0.60 0.21 -0.31 0.00 0.00 175.10 175.96 1rbf s ASN 44 N -1.08 -0.60 -0.09 4.85 2.47 -0.62 -5.00 114.94 114.86 1rbf s ASN 44 Ca -0.12 1.01 0.01 0.00 0.42 0.00 0.00 52.86 54.18 1rbf s ASN 44 Cb -0.07 1.00 -0.02 0.00 -1.45 0.00 0.00 41.25 40.71 1rbf s ASN 44 CO -0.01 -0.32 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.03 1rbf s THR 45 N -0.17 3.08 -0.12 -5.21 2.01 -1.26 -0.52 115.64 113.46 1rbf s THR 45 Ca -0.04 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1rbf s THR 45 Cb -0.03 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 1rbf s THR 45 CO 0.03 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.12 1rbf s PHE 46 N -0.15 3.02 -0.20 4.92 0.08 -0.57 -4.98 117.98 120.09 1rbf s PHE 46 Ca -0.01 -0.11 -0.06 0.00 0.12 0.00 0.00 56.93 56.87 1rbf s PHE 46 Cb -0.13 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1rbf s PHE 46 CO 0.03 0.17 0.04 0.08 -0.10 0.00 0.00 175.22 175.44 1rbf s VAL 47 N -0.22 4.31 -1.10 -0.44 1.01 -1.26 -0.99 120.40 121.71 1rbf s VAL 47 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1rbf s VAL 47 Cb -0.13 -2.96 0.29 0.00 0.00 0.00 0.00 36.38 33.58 1rbf s VAL 47 CO 0.02 0.42 1.68 1.41 0.00 0.00 0.00 175.10 178.63 1rbf n HIS 48 N 4.13 2.46 -3.93 5.22 -0.00 0.27 -4.90 115.22 118.47 1rbf n HIS 48 Ca -0.17 -2.60 -0.09 0.00 -0.00 0.00 0.00 57.72 54.87 1rbf n HIS 48 Cb 0.52 -1.34 -0.09 0.00 -0.00 0.00 0.00 29.99 29.08 1rbf n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1rbf s GLU 49 N -2.80 0.69 0.44 -0.41 0.41 -1.26 -4.54 118.70 111.23 1rbf s GLU 49 Ca 0.35 -0.92 -0.26 0.00 -0.41 0.00 0.00 54.97 53.74 1rbf s GLU 49 Cb 0.10 0.27 -0.09 0.00 -1.78 0.00 0.00 34.13 32.63 1rbf s GLU 49 CO 0.02 -0.19 1.43 -1.13 -0.49 0.00 0.00 175.26 174.90 1rbf n SER 50 N 0.32 3.33 -0.18 -0.19 3.41 -1.26 -4.87 113.62 114.18 1rbf n SER 50 Ca -0.16 1.13 0.11 0.00 -0.26 0.00 0.00 58.87 59.69 1rbf n SER 50 Cb 0.60 -1.60 0.43 0.00 -0.26 0.00 0.00 64.21 63.39 1rbf n SER 50 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1rbf h LEU 51 N 2.37 0.53 -0.75 1.04 -0.00 -2.00 -2.09 115.31 114.41 1rbf h LEU 51 Ca -0.51 0.02 -0.13 0.00 -0.00 0.00 0.00 57.88 57.26 1rbf h LEU 51 Cb 1.27 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.82 1rbf h LEU 51 CO 0.61 0.30 -0.59 0.00 -0.00 0.00 0.00 178.44 178.77 1rbf h ALA 52 N 1.63 0.95 0.00 1.53 0.00 -1.99 0.04 119.26 121.42 1rbf h ALA 52 Ca 0.35 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1rbf h ALA 52 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1rbf h ALA 52 CO -0.13 0.72 -0.50 -0.44 0.00 0.00 0.00 179.25 178.90 1rbf h ASP 53 N 0.10 0.00 -0.03 0.00 3.32 -1.76 -0.22 116.42 117.82 1rbf h ASP 53 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1rbf h ASP 53 Cb 1.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1rbf h ASP 53 CO 0.08 0.50 -0.65 0.58 -1.72 0.00 0.00 179.24 178.04 1rbf h VAL 54 N 0.00 1.31 0.00 -1.35 2.07 -0.91 -3.12 116.25 114.25 1rbf h VAL 54 Ca -0.01 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.56 1rbf h VAL 54 Cb 0.92 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1rbf h VAL 54 CO 0.07 0.60 -0.22 1.56 0.02 0.00 0.00 177.57 179.59 1rbf h GLN 55 N 0.48 0.00 0.00 1.57 4.20 -0.65 -2.02 115.11 118.69 1rbf h GLN 55 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rbf h GLN 55 Cb 1.24 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 1rbf h GLN 55 CO 0.13 0.22 -0.02 0.00 -0.67 0.00 0.00 178.83 178.49 1rbf h ALA 56 N 1.78 1.12 0.00 3.87 0.00 -0.97 -2.73 119.26 122.33 1rbf h ALA 56 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1rbf h ALA 56 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rbf h ALA 56 CO 0.03 0.03 -0.10 0.28 0.00 0.00 0.00 179.25 179.49 1rbf h VAL 57 N 0.00 0.70 0.00 0.00 2.07 -1.44 -2.56 116.25 115.01 1rbf h VAL 57 Ca -0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1rbf h VAL 57 Cb 0.16 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1rbf h VAL 57 CO 0.00 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1rbf n SER 59 N -1.25 2.09 0.00 0.00 3.41 -0.96 -5.00 113.62 111.92 1rbf n SER 59 Ca 0.06 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1rbf n SER 59 Cb 0.08 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1rbf n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rbf n GLN 60 N -1.25 0.29 -2.71 4.33 6.02 0.29 -4.98 117.38 119.37 1rbf n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1rbf n GLN 60 Cb 0.63 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.86 1rbf n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1rbf s LYS 61 N 4.10 3.92 0.10 -1.09 2.47 -0.90 -4.85 119.74 123.49 1rbf s LYS 61 Ca 0.00 0.78 -0.31 0.00 -1.56 0.00 0.00 55.97 54.89 1rbf s LYS 61 Cb 0.00 -3.79 -0.07 0.00 -1.46 0.00 0.00 37.83 32.52 1rbf s LYS 61 CO 0.00 -0.98 1.23 1.21 0.16 0.00 0.00 175.35 176.97 1rbf s ASN 62 N 1.86 7.04 0.14 1.43 2.47 -1.26 -0.43 114.94 126.18 1rbf s ASN 62 Ca 0.42 2.13 -0.02 0.00 0.42 0.00 0.00 52.86 55.81 1rbf s ASN 62 Cb -0.11 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.06 1rbf s ASN 62 CO 0.19 -0.47 0.08 0.68 -3.72 0.00 0.00 177.10 173.86 1rbf s VAL 63 N 0.77 0.09 0.42 -5.21 -7.23 -0.14 -4.93 120.40 104.16 1rbf s VAL 63 Ca 0.58 -1.89 -0.23 0.00 -1.81 0.00 0.00 61.98 58.64 1rbf s VAL 63 Cb -0.32 -2.09 -0.09 0.00 0.56 0.00 0.00 36.38 34.44 1rbf s VAL 63 CO 0.31 -0.39 1.03 0.00 -0.31 0.00 0.00 175.10 175.74 1rbf s ALA 64 N -4.06 3.03 0.45 1.32 0.00 -1.26 -3.25 121.76 117.99 1rbf s ALA 64 Ca 0.26 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 1rbf s ALA 64 Cb 0.07 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1rbf s ALA 64 CO 0.03 -0.17 0.79 0.00 0.00 0.00 0.00 175.76 176.41 1rbf h LYS 66 N 0.74 0.18 -0.02 0.00 1.57 -1.93 0.33 116.57 117.44 1rbf h LYS 66 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1rbf h LYS 66 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1rbf h LYS 66 CO 0.63 0.12 0.00 0.27 -0.57 0.00 0.00 179.45 179.90 1rbf n ASN 67 N -4.81 0.02 0.00 0.86 6.94 -1.26 -4.89 115.26 112.12 1rbf n ASN 67 Ca 0.34 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.00 1rbf n ASN 67 Cb 1.22 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.63 1rbf n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rbf n GLY 68 N 0.44 1.26 3.86 4.83 0.00 0.12 -5.02 105.19 110.67 1rbf n GLY 68 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1rbf n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rbf s GLN 69 N -0.13 3.76 -0.28 1.61 -0.21 -1.26 -4.74 119.66 118.41 1rbf s GLN 69 Ca 0.00 0.81 0.09 0.00 0.02 0.00 0.00 55.36 56.28 1rbf s GLN 69 Cb 0.00 -2.13 0.47 0.00 1.00 0.00 0.00 33.01 32.35 1rbf s GLN 69 CO 0.00 -0.40 1.37 0.25 -2.12 0.00 0.00 175.29 174.39 1rbf n THR 70 N -2.14 2.50 -1.29 -0.19 -2.24 -1.26 0.43 114.28 110.08 1rbf n THR 70 Ca 0.06 -3.17 -0.30 0.00 -2.27 0.00 0.00 64.05 58.37 1rbf n THR 70 Cb 0.54 -0.47 0.12 0.00 -2.10 0.00 0.00 70.33 68.43 1rbf n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1rbf n ASN 71 N -1.05 6.03 -4.53 3.42 6.94 -1.26 -4.72 115.26 120.08 1rbf n ASN 71 Ca 0.32 -3.72 -0.29 0.00 -0.02 0.00 0.00 54.58 50.87 1rbf n ASN 71 Cb 0.90 -0.92 -0.10 0.00 -2.36 0.00 0.00 39.78 37.30 1rbf n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbf s TYR 73 N -1.23 0.49 -0.13 0.00 1.51 0.45 -0.97 117.35 117.47 1rbf s TYR 73 Ca 0.20 -0.10 -0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1rbf s TYR 73 Cb -0.11 -0.39 -0.03 0.00 -0.11 0.00 0.00 41.96 41.32 1rbf s TYR 73 CO 0.12 -0.07 0.01 -1.14 -1.11 0.00 0.00 175.55 173.36 1rbf s GLN 74 N 0.28 3.49 0.32 -0.62 0.74 0.42 -1.04 119.66 123.26 1rbf s GLN 74 Ca -0.03 -0.43 -0.29 0.00 0.05 0.00 0.00 55.36 54.66 1rbf s GLN 74 Cb -0.07 -2.95 -0.10 0.00 1.10 0.00 0.00 33.01 30.99 1rbf s GLN 74 CO -0.00 0.43 1.38 -1.54 -0.55 0.00 0.00 175.29 175.01 1rbf s SER 75 N -0.13 6.64 0.27 6.67 1.04 -0.61 -2.12 113.70 125.46 1rbf s SER 75 Ca 0.05 2.77 -0.02 0.00 0.48 0.00 0.00 55.95 59.22 1rbf s SER 75 Cb -0.13 -2.65 0.37 0.00 0.10 0.00 0.00 66.02 63.72 1rbf s SER 75 CO 0.02 -0.66 1.83 1.88 0.98 0.00 0.00 173.24 177.29 1rbf h TYR 76 N 3.73 0.91 -1.66 5.02 0.05 -1.95 -3.44 116.97 119.63 1rbf h TYR 76 Ca -0.49 -0.08 -0.58 0.00 0.05 0.00 0.00 58.73 57.64 1rbf h TYR 76 Cb 1.23 -0.27 -0.10 0.00 1.01 0.00 0.00 36.73 38.60 1rbf h TYR 76 CO 0.56 0.74 -0.53 0.45 -1.05 0.00 0.00 178.16 178.33 1rbf s SER 77 N -6.54 4.31 0.58 3.88 0.15 -1.26 -5.08 113.70 109.74 1rbf s SER 77 Ca -0.10 -1.11 -0.14 0.00 0.70 0.00 0.00 55.95 55.30 1rbf s SER 77 Cb 0.16 -0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.93 1rbf s SER 77 CO 0.81 -0.48 1.02 0.42 1.20 0.00 0.00 173.24 176.20 1rbf s THR 78 N -2.60 4.52 0.10 6.45 -4.23 -1.26 -4.46 115.64 114.15 1rbf s THR 78 Ca 0.39 1.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.95 1rbf s THR 78 Cb 0.04 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1rbf s THR 78 CO 0.21 -0.89 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.23 1rbf s MET 79 N -4.63 0.92 -0.14 3.99 -1.94 0.62 -4.85 119.30 113.27 1rbf s MET 79 Ca 0.57 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 53.13 1rbf s MET 79 Cb -0.11 -0.79 -0.02 0.00 2.01 0.00 0.00 34.83 35.92 1rbf s MET 79 CO 0.43 0.15 1.31 0.45 -0.01 0.00 0.00 175.02 177.36 1rbf s SER 80 N -2.23 6.91 0.11 3.03 0.15 -1.26 -1.22 113.70 119.18 1rbf s SER 80 Ca 0.05 1.78 0.04 0.00 0.70 0.00 0.00 55.95 58.52 1rbf s SER 80 Cb -0.06 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 1rbf s SER 80 CO 0.02 -0.77 -0.11 0.27 1.20 0.00 0.00 173.24 173.84 1rbf s ILE 81 N 3.49 1.06 -0.19 6.45 -4.36 0.55 -0.57 121.20 127.64 1rbf s ILE 81 Ca 0.57 -1.69 -0.01 0.00 -0.26 0.00 0.00 60.65 59.26 1rbf s ILE 81 Cb -0.24 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.03 1rbf s ILE 81 CO 0.17 -0.53 -0.12 -0.89 0.24 0.00 0.00 174.94 173.80 1rbf s THR 82 N -2.43 2.77 -0.07 8.37 2.01 -0.16 -1.39 115.64 124.74 1rbf s THR 82 Ca 0.07 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.21 1rbf s THR 82 Cb -0.03 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1rbf s THR 82 CO 0.01 0.49 0.41 -1.81 -0.69 0.00 0.00 174.62 173.03 1rbf s ASP 83 N 1.22 6.70 -0.21 3.53 1.01 0.85 -1.52 116.67 128.25 1rbf s ASP 83 Ca 0.02 0.83 -0.01 0.00 0.71 0.00 0.00 52.55 54.10 1rbf s ASP 83 Cb -0.14 -2.25 0.02 0.00 1.01 0.00 0.00 42.92 41.56 1rbf s ASP 83 CO -0.05 0.17 -0.12 0.00 0.21 0.00 0.00 175.17 175.37 1rbf s ARG 85 N 1.33 2.21 0.36 0.00 6.06 -0.32 -1.59 118.95 126.99 1rbf s ARG 85 Ca 0.03 -0.61 -0.28 0.00 -2.50 0.00 0.00 55.73 52.36 1rbf s ARG 85 Cb -0.15 -1.76 -0.11 0.00 0.06 0.00 0.00 34.95 32.99 1rbf s ARG 85 CO -0.08 0.11 1.50 -1.91 -2.50 0.00 0.00 175.30 172.42 1rbf n GLU 86 N 3.62 2.64 -1.65 5.12 2.13 0.19 0.06 120.64 132.76 1rbf n GLU 86 Ca -0.21 0.93 -0.31 0.00 0.66 0.00 0.00 57.16 58.23 1rbf n GLU 86 Cb 0.52 -2.66 0.04 0.00 0.27 0.00 0.00 31.44 29.62 1rbf n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1rbf s THR 87 N -0.86 4.07 0.55 6.31 -4.23 -0.59 -4.78 115.64 116.11 1rbf s THR 87 Ca 0.56 0.67 0.39 0.00 -1.18 0.00 0.00 61.69 62.13 1rbf s THR 87 Cb -0.49 -3.48 0.41 0.00 1.34 0.00 0.00 72.50 70.28 1rbf s THR 87 CO 0.60 -0.88 2.27 1.23 -0.54 0.00 0.00 174.62 177.31 1rbf h GLY 88 N -0.66 0.00 -2.76 3.99 0.00 -1.94 -2.74 103.07 98.96 1rbf h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1rbf h GLY 88 CO 0.58 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.98 1rbf n SER 89 N -3.28 4.26 -4.78 0.19 3.41 -1.26 -4.94 113.62 107.23 1rbf n SER 89 Ca -0.02 -2.55 -0.37 0.00 -0.26 0.00 0.00 58.87 55.67 1rbf n SER 89 Cb 0.12 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 1rbf n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rbf s SER 90 N -0.69 6.56 -0.06 4.04 0.15 -1.04 -4.90 113.70 117.77 1rbf s SER 90 Ca 0.41 0.66 -0.03 0.00 0.70 0.00 0.00 55.95 57.69 1rbf s SER 90 Cb 0.29 -2.20 0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1rbf s SER 90 CO 0.15 0.19 0.14 -0.54 1.20 0.00 0.00 173.24 174.39 1rbf s LYS 91 N -0.14 0.10 0.29 5.44 1.02 -1.23 -4.92 119.74 120.30 1rbf s LYS 91 Ca 0.19 0.35 -0.30 0.00 0.02 0.00 0.00 55.97 56.23 1rbf s LYS 91 Cb -0.14 -0.15 -0.12 0.00 -0.52 0.00 0.00 37.83 36.90 1rbf s LYS 91 CO 0.07 -0.15 1.55 0.98 -0.92 0.00 0.00 175.35 176.89 1rbf n TYR 92 N 4.07 2.73 1.36 3.18 9.36 -1.26 -0.32 117.16 136.28 1rbf n TYR 92 Ca -0.25 0.30 0.14 0.00 3.32 0.00 0.00 57.90 61.41 1rbf n TYR 92 Cb 0.52 -2.57 0.53 0.00 -0.63 0.00 0.00 39.34 37.20 1rbf n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rbf n PRO 93 N 2.03 0.78 -2.63 2.98 -0.04 -1.26 -4.99 135.00 131.87 1rbf n PRO 93 Ca 0.09 -0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 62.77 1rbf n PRO 93 Cb 0.36 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1rbf n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rbf n ASN 94 N -0.81 5.43 -4.77 3.54 4.13 0.56 -4.72 115.26 118.61 1rbf n ASN 94 Ca 0.14 -3.15 -0.40 0.00 1.68 0.00 0.00 54.58 52.84 1rbf n ASN 94 Cb 0.30 -1.44 -0.01 0.00 -1.54 0.00 0.00 39.78 37.09 1rbf n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rbf s ALA 96 N -1.16 0.97 0.03 0.00 0.00 -1.26 0.25 121.76 120.58 1rbf s ALA 96 Ca 0.51 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1rbf s ALA 96 Cb -0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1rbf s ALA 96 CO 0.54 0.20 -0.09 0.71 0.00 0.00 0.00 175.76 177.12 1rbf s TYR 97 N -0.56 0.78 -0.14 0.00 1.51 -1.26 -1.54 117.35 116.14 1rbf s TYR 97 Ca 0.02 -0.32 -0.13 0.00 -1.01 0.00 0.00 57.07 55.62 1rbf s TYR 97 Cb -0.06 -0.47 -0.05 0.00 -0.11 0.00 0.00 41.96 41.27 1rbf s TYR 97 CO 0.00 -0.02 0.29 0.21 -1.11 0.00 0.00 175.55 174.92 1rbf s LYS 98 N -0.97 4.15 -0.26 -0.62 2.47 0.11 -4.86 119.74 119.76 1rbf s LYS 98 Ca -0.03 0.11 -0.11 0.00 -1.56 0.00 0.00 55.97 54.39 1rbf s LYS 98 Cb -0.07 -3.38 -0.05 0.00 -1.46 0.00 0.00 37.83 32.87 1rbf s LYS 98 CO 0.00 0.33 0.17 0.99 0.16 0.00 0.00 175.35 177.01 1rbf s THR 99 N 0.17 5.25 -0.08 3.43 2.01 -1.26 -1.18 115.64 123.98 1rbf s THR 99 Ca 0.17 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.34 1rbf s THR 99 Cb -0.13 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.91 1rbf s THR 99 CO 0.05 0.29 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.24 1rbf s THR 100 N 1.50 1.29 -0.10 -0.82 2.01 -0.32 -4.98 115.64 114.22 1rbf s THR 100 Ca 0.07 -0.55 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 1rbf s THR 100 Cb -0.15 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1rbf s THR 100 CO 0.08 0.39 0.06 -1.58 -0.69 0.00 0.00 174.62 172.89 1rbf s GLN 101 N 0.82 3.22 0.17 4.92 2.00 -1.26 -0.11 119.66 129.41 1rbf s GLN 101 Ca -0.11 -0.28 -0.15 0.00 -2.00 0.00 0.00 55.36 52.82 1rbf s GLN 101 Cb -0.15 -2.98 0.02 0.00 0.80 0.00 0.00 33.01 30.69 1rbf s GLN 101 CO 0.02 0.72 0.43 0.00 -0.50 0.00 0.00 175.29 175.95 1rbf s ALA 102 N -0.90 -0.70 -0.24 1.58 0.00 -0.48 -4.99 121.76 116.03 1rbf s ALA 102 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.77 1rbf s ALA 102 Cb -0.12 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.86 1rbf s ALA 102 CO 0.03 -0.72 -0.10 -0.80 0.00 0.00 0.00 175.76 174.17 1rbf s ASN 103 N -2.88 3.99 0.07 0.00 0.01 -1.26 -0.33 114.94 114.55 1rbf s ASN 103 Ca 0.09 -1.19 0.00 0.00 -0.71 0.00 0.00 52.86 51.06 1rbf s ASN 103 Cb 0.01 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 1rbf s ASN 103 CO -0.05 -0.18 -0.04 -0.54 -1.51 0.00 0.00 177.10 174.78 1rbf s LYS 104 N 1.25 0.70 0.24 -0.60 1.02 -0.36 -4.79 119.74 117.19 1rbf s LYS 104 Ca -0.06 -1.25 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 1rbf s LYS 104 Cb -0.18 0.03 -0.09 0.00 -0.52 0.00 0.00 37.83 37.07 1rbf s LYS 104 CO -0.06 -0.07 1.03 -1.01 -0.92 0.00 0.00 175.35 174.31 1rbf s HIS 105 N -3.73 3.76 0.10 3.18 3.76 -1.26 -0.27 115.29 120.82 1rbf s HIS 105 Ca 0.08 1.78 0.04 0.00 -0.15 0.00 0.00 55.06 56.81 1rbf s HIS 105 Cb 0.06 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 1rbf s HIS 105 CO -0.08 -0.11 0.09 0.96 -0.85 0.00 0.00 174.74 174.75 1rbf s ILE 106 N -0.97 4.49 -0.14 0.60 -4.36 -1.26 -0.10 121.20 119.47 1rbf s ILE 106 Ca 0.44 -0.86 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 1rbf s ILE 106 Cb -0.29 -3.20 0.02 0.00 1.25 0.00 0.00 42.46 40.24 1rbf s ILE 106 CO 0.36 0.06 -0.18 -0.63 0.24 0.00 0.00 174.94 174.80 1rbf s ILE 107 N -1.48 1.78 0.10 8.37 1.09 -0.24 -1.57 121.20 129.24 1rbf s ILE 107 Ca 0.29 -0.79 0.09 0.00 -1.10 0.00 0.00 60.65 59.15 1rbf s ILE 107 Cb -0.12 -1.62 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 1rbf s ILE 107 CO 0.22 0.49 -0.23 0.68 -0.10 0.00 0.00 174.94 176.00 1rbf s VAL 108 N 1.13 1.91 -0.09 2.92 -7.23 -0.20 -0.49 120.40 118.35 1rbf s VAL 108 Ca -0.01 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 1rbf s VAL 108 Cb -0.14 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1rbf s VAL 108 CO -0.06 0.07 0.37 0.00 -0.31 0.00 0.00 175.10 175.16 1rbf s ALA 109 N -1.04 3.63 0.08 1.32 0.00 -0.58 -0.41 121.76 124.76 1rbf s ALA 109 Ca 0.09 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1rbf s ALA 109 Cb -0.10 -2.41 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1rbf s ALA 109 CO 0.04 0.26 -0.26 0.00 0.00 0.00 0.00 175.76 175.80 1rbf s GLU 111 N -1.60 1.27 0.44 0.00 2.02 -0.63 -4.87 118.70 115.33 1rbf s GLU 111 Ca 0.12 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1rbf s GLU 111 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.63 1rbf s GLU 111 CO 0.04 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.20 1rbf n GLY 112 N -0.30 -2.31 2.62 -1.39 0.00 -1.26 -1.49 105.19 101.06 1rbf n GLY 112 Ca -0.12 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 1rbf n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbf s ASN 113 N -3.11 2.05 0.46 1.61 3.84 -1.26 -2.82 114.94 115.71 1rbf s ASN 113 Ca 0.00 -0.44 -0.25 0.00 0.21 0.00 0.00 52.86 52.38 1rbf s ASN 113 Cb 0.00 -0.22 -0.08 0.00 -0.55 0.00 0.00 41.25 40.40 1rbf s ASN 113 CO 0.00 -0.33 1.42 -2.16 -2.79 0.00 0.00 177.10 173.24 1rbf s PRO 114 N 2.15 3.65 -0.43 0.43 0.04 -1.26 -5.05 135.00 134.53 1rbf s PRO 114 Ca 0.03 2.40 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 1rbf s PRO 114 Cb -0.15 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1rbf s PRO 114 CO -0.08 -0.84 1.72 -0.47 0.04 0.00 0.00 177.00 177.38 1rbf s TYR 115 N -1.21 1.90 0.11 0.56 5.04 -1.13 -4.84 117.35 117.79 1rbf s TYR 115 Ca 0.62 0.67 0.03 0.00 -2.44 0.00 0.00 57.07 55.95 1rbf s TYR 115 Cb -0.43 -4.17 -0.04 0.00 0.35 0.00 0.00 41.96 37.67 1rbf s TYR 115 CO 0.55 -2.56 -0.09 0.14 -1.34 0.00 0.00 175.55 172.26 1rbf s VAL 116 N 7.13 0.93 0.22 3.14 -7.23 -0.56 -4.83 120.40 119.20 1rbf s VAL 116 Ca 0.72 -1.86 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 1rbf s VAL 116 Cb -0.18 -1.61 -0.11 0.00 0.56 0.00 0.00 36.38 35.04 1rbf s VAL 116 CO 0.30 -0.72 1.64 -2.84 -0.31 0.00 0.00 175.10 173.17 1rbf s PRO 117 N -3.41 4.15 0.00 4.82 0.02 -1.26 -1.60 135.00 137.72 1rbf s PRO 117 Ca 0.11 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1rbf s PRO 117 Cb 0.01 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.45 1rbf s PRO 117 CO -0.01 -0.67 0.00 1.33 -0.33 0.00 0.00 177.00 177.32 1rbf n VAL 118 N 3.43 0.00 -3.81 3.83 0.24 -0.26 -4.91 118.33 116.85 1rbf n VAL 118 Ca 0.13 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1rbf n VAL 118 Cb 0.37 0.56 -0.09 0.00 -1.47 0.00 0.00 33.84 33.21 1rbf n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rbf s HIS 119 N -1.53 -0.05 0.30 6.34 3.76 -1.20 -5.00 115.29 117.91 1rbf s HIS 119 Ca 0.00 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.66 1rbf s HIS 119 Cb 0.00 0.03 -0.09 0.00 1.11 0.00 0.00 32.58 33.62 1rbf s HIS 119 CO 0.00 -0.39 0.85 0.12 -0.85 0.00 0.00 174.74 174.47 1rbf s PHE 120 N -1.85 3.60 -0.07 1.40 5.36 -1.26 -1.52 117.98 123.63 1rbf s PHE 120 Ca -0.10 1.57 0.03 0.00 -0.96 0.00 0.00 56.93 57.47 1rbf s PHE 120 Cb -0.04 -2.77 -0.06 0.00 -0.34 0.00 0.00 43.02 39.80 1rbf s PHE 120 CO 0.00 0.20 -0.02 -3.47 -1.46 0.00 0.00 175.22 170.47 1rbf n ASP 121 N 0.37 3.45 -2.43 6.13 2.03 0.35 -4.79 116.55 121.66 1rbf n ASP 121 Ca 0.01 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1rbf n ASP 121 Cb 0.51 0.25 0.01 0.00 -0.72 0.00 0.00 41.12 41.18 1rbf n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rbf n ALA 122 N -2.48 -1.77 -3.74 -1.67 0.00 -1.09 -4.97 120.51 104.78 1rbf n ALA 122 Ca -0.12 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1rbf n ALA 122 Cb 0.67 0.17 -0.14 0.00 0.00 0.00 0.00 19.45 20.16 1rbf n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rbf s SER 123 N -2.46 -0.15 0.00 0.00 0.01 -1.26 -1.08 113.70 108.76 1rbf s SER 123 Ca 0.15 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.78 1rbf s SER 123 Cb -0.01 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1rbf s SER 123 CO 0.01 -0.16 0.05 1.33 0.41 0.00 0.00 173.24 174.89