#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 11bg s GLU 2 N 0.00 4.18 0.87 1.64 2.12 -1.26 -5.08 118.70 121.18 11bg s GLU 2 Ca 0.00 0.31 -0.11 0.00 0.36 0.00 0.00 54.97 55.52 11bg s GLU 2 Cb 0.00 -3.55 0.11 0.00 0.26 0.00 0.00 34.13 30.95 11bg s GLU 2 CO 0.00 -0.09 1.09 -1.54 -0.54 0.00 0.00 175.26 174.18 11bg s SER 3 N 1.10 3.72 0.30 -1.70 1.04 -1.26 -4.81 113.70 112.08 11bg s SER 3 Ca 0.22 1.54 -0.01 0.00 0.48 0.00 0.00 55.95 58.17 11bg s SER 3 Cb -0.15 -2.22 0.45 0.00 0.10 0.00 0.00 66.02 64.20 11bg s SER 3 CO 0.09 -2.49 1.90 0.00 0.98 0.00 0.00 173.24 173.72 11bg h ALA 4 N -1.45 1.33 -0.17 5.32 0.00 -1.99 -0.68 119.26 121.63 11bg h ALA 4 Ca -0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 11bg h ALA 4 Cb 1.27 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 11bg h ALA 4 CO 0.54 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 180.29 11bg h ALA 5 N 1.43 0.23 -0.38 0.00 0.00 -1.99 -1.51 119.26 117.03 11bg h ALA 5 Ca 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 11bg h ALA 5 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 11bg h ALA 5 CO -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 11bg h ALA 6 N 0.73 1.20 -0.51 0.00 0.00 -1.86 -1.49 119.26 117.33 11bg h ALA 6 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 11bg h ALA 6 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 11bg h ALA 6 CO 0.01 0.52 -0.05 -0.22 0.00 0.00 0.00 179.25 179.52 11bg h LYS 7 N 0.59 0.90 -0.49 0.00 3.64 -1.01 -0.48 116.57 119.72 11bg h LYS 7 Ca 0.11 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 11bg h LYS 7 Cb 0.45 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 11bg h LYS 7 CO 0.02 0.92 0.14 0.35 -2.27 0.00 0.00 179.45 178.62 11bg h PHE 8 N 0.82 0.80 -0.54 1.91 3.04 -0.79 -0.57 116.94 121.62 11bg h PHE 8 Ca 0.15 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 11bg h PHE 8 Cb 0.56 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 11bg h PHE 8 CO 0.03 0.71 0.33 0.93 -2.02 0.00 0.00 178.31 178.29 11bg h GLU 9 N 0.67 0.73 -0.45 1.11 5.08 -0.93 -0.27 114.58 120.51 11bg h GLU 9 Ca 0.16 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 11bg h GLU 9 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 11bg h GLU 9 CO -0.00 0.52 0.14 -0.09 -1.00 0.00 0.00 179.01 178.58 11bg h ARG 10 N 0.72 0.71 0.00 2.33 2.43 -0.78 -1.35 114.38 118.44 11bg h ARG 10 Ca 0.19 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 11bg h ARG 10 Cb -0.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 11bg h ARG 10 CO -0.04 0.68 -0.74 1.96 -1.51 0.00 0.00 179.97 180.32 11bg h GLN 11 N 0.60 0.00 0.00 0.20 4.20 -1.03 -3.40 115.11 115.68 11bg h GLN 11 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 11bg h GLN 11 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 11bg h GLN 11 CO -0.01 0.74 -0.08 0.72 -0.67 0.00 0.00 178.83 179.54 11bg n HIS 12 N -3.40 0.00 -3.94 2.96 8.25 -0.12 -5.04 115.22 113.93 11bg n HIS 12 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 11bg n HIS 12 Cb 0.79 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.81 11bg n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 11bg s MET 13 N -0.91 3.98 -0.44 -0.41 -1.94 -0.51 -4.98 119.30 114.09 11bg s MET 13 Ca 0.00 -0.34 0.07 0.00 -1.71 0.00 0.00 55.69 53.72 11bg s MET 13 Cb 0.00 -3.26 0.25 0.00 2.01 0.00 0.00 34.83 33.82 11bg s MET 13 CO 0.00 0.23 0.70 -3.47 -0.01 0.00 0.00 175.02 172.47 11bg n ASP 14 N 3.68 -1.29 -4.77 3.03 2.03 -1.26 -4.87 116.55 113.10 11bg n ASP 14 Ca -0.16 -2.98 -0.37 0.00 0.52 0.00 0.00 54.79 51.79 11bg n ASP 14 Cb 0.52 0.53 -0.01 0.00 -0.72 0.00 0.00 41.12 41.45 11bg n ASP 14 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 11bg s SER 15 N -1.43 6.13 -1.43 1.67 0.01 -1.26 -3.50 113.70 113.89 11bg s SER 15 Ca 0.34 2.34 -0.09 0.00 1.31 0.00 0.00 55.95 59.85 11bg s SER 15 Cb 0.20 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.87 11bg s SER 15 CO -0.18 -0.95 0.66 0.61 0.41 0.00 0.00 173.24 173.80 11bg n GLY 16 N 0.47 -0.50 3.22 3.44 0.00 -1.26 -4.94 105.19 105.62 11bg n GLY 16 Ca 0.07 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 11bg n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 11bg s ASN 17 N -2.86 0.04 0.02 1.61 2.47 -1.23 -5.17 114.94 109.82 11bg s ASN 17 Ca 0.43 -0.50 -0.08 0.00 0.42 0.00 0.00 52.86 53.14 11bg s ASN 17 Cb -0.22 0.35 -0.00 0.00 -1.45 0.00 0.00 41.25 39.93 11bg s ASN 17 CO 0.54 -0.69 0.14 -0.55 -3.72 0.00 0.00 177.10 172.82 11bg s SER 18 N -2.60 0.06 0.52 -4.21 0.15 -1.26 -5.02 113.70 101.33 11bg s SER 18 Ca 0.02 -0.30 0.16 0.00 0.70 0.00 0.00 55.95 56.52 11bg s SER 18 Cb 0.03 0.23 1.26 0.00 -1.71 0.00 0.00 66.02 65.82 11bg s SER 18 CO -0.09 -0.44 2.15 -0.65 1.20 0.00 0.00 173.24 175.41 11bg h PRO 19 N 3.97 0.02 -0.01 5.44 0.11 -2.02 -1.98 132.00 137.52 11bg h PRO 19 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 11bg h PRO 19 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 11bg h PRO 19 CO 0.44 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 11bg n SER 20 N -4.54 0.22 -4.55 -2.05 3.41 -1.26 -4.69 113.62 100.16 11bg n SER 20 Ca -0.03 -1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 56.95 11bg n SER 20 Cb 0.09 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 11bg n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 11bg s SER 21 N -1.84 6.54 0.43 4.04 0.15 -0.75 -4.87 113.70 117.40 11bg s SER 21 Ca 0.40 -1.57 0.12 0.00 0.70 0.00 0.00 55.95 55.59 11bg s SER 21 Cb 0.19 -2.55 0.99 0.00 -1.71 0.00 0.00 66.02 62.93 11bg s SER 21 CO 0.31 -1.45 2.01 0.28 1.20 0.00 0.00 173.24 175.60 11bg h SER 22 N 9.56 0.38 0.62 5.45 0.02 -1.88 -2.13 113.55 125.58 11bg h SER 22 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 11bg h SER 22 Cb 1.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.46 11bg h SER 22 CO 1.40 0.25 0.00 0.77 -1.14 0.00 0.00 176.83 178.11 11bg h SER 23 N 0.44 0.00 0.27 3.07 4.64 -1.95 -1.80 113.55 118.21 11bg h SER 23 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 11bg h SER 23 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 11bg h SER 23 CO -0.06 0.00 -0.10 -3.20 -0.87 0.00 0.00 176.83 172.60 11bg n ASN 24 N -2.64 0.62 -0.19 4.97 5.15 -0.80 -4.32 115.26 118.05 11bg n ASN 24 Ca 0.00 -0.77 -0.00 0.00 -0.60 0.00 0.00 54.58 53.21 11bg n ASN 24 Cb 0.20 -0.03 0.08 0.00 -0.53 0.00 0.00 39.78 39.50 11bg n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 11bg h TYR 25 N 0.81 -0.07 -0.81 1.20 3.20 -1.44 -2.12 116.97 117.74 11bg h TYR 25 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 11bg h TYR 25 Cb 0.36 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 11bg h TYR 25 CO 0.00 -0.16 0.38 0.00 -1.64 0.00 0.00 178.16 176.74 11bg h ASN 27 N 1.14 0.21 -0.42 0.00 2.35 -1.65 0.16 115.58 117.36 11bg h ASN 27 Ca 0.28 0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 11bg h ASN 27 Cb 0.13 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 11bg h ASN 27 CO -0.03 0.16 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.83 11bg h LEU 28 N 0.31 0.74 -0.15 1.61 3.38 -1.10 -3.05 115.31 117.04 11bg h LEU 28 Ca 0.14 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 11bg h LEU 28 Cb 0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 11bg h LEU 28 CO -0.11 0.87 -0.22 0.24 0.09 0.00 0.00 178.44 179.31 11bg h MET 29 N 0.59 0.42 -0.64 1.13 2.86 -1.04 0.89 114.93 119.15 11bg h MET 29 Ca 0.12 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 11bg h MET 29 Cb 0.49 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 11bg h MET 29 CO 0.02 0.83 0.34 0.52 1.06 0.00 0.00 176.91 179.69 11bg h MET 30 N 0.04 0.88 0.43 1.72 2.86 -1.07 0.88 114.93 120.68 11bg h MET 30 Ca 0.02 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 11bg h MET 30 Cb 0.79 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.28 11bg h MET 30 CO 0.05 0.66 -0.21 0.00 1.06 0.00 0.00 176.91 178.47 11bg n ARG 33 N -4.77 1.37 -3.77 0.00 5.12 0.30 -4.91 116.66 110.00 11bg n ARG 33 Ca 0.11 -0.33 -0.27 0.00 -1.93 0.00 0.00 57.85 55.42 11bg n ARG 33 Cb 0.23 -1.45 0.05 0.00 -1.16 0.00 0.00 32.46 30.13 11bg n ARG 33 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 11bg n LYS 34 N -0.02 -6.61 -0.36 5.56 4.76 -0.84 -4.89 118.16 115.76 11bg n LYS 34 Ca 0.03 0.70 0.08 0.00 -2.87 0.00 0.00 58.31 56.26 11bg n LYS 34 Cb 0.28 -5.66 0.26 0.00 -1.84 0.00 0.00 35.03 28.06 11bg n LYS 34 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 11bg n MET 35 N -4.82 3.06 -0.58 1.97 2.81 0.47 -4.20 117.12 115.83 11bg n MET 35 Ca 0.02 -2.50 0.06 0.00 -1.81 0.00 0.00 57.70 53.47 11bg n MET 35 Cb 0.55 -1.56 0.16 0.00 -0.71 0.00 0.00 33.22 31.66 11bg n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 11bg n THR 36 N 0.82 1.79 -3.00 2.03 -2.24 -1.23 -1.89 114.28 110.56 11bg n THR 36 Ca 0.19 -2.63 -0.43 0.00 -2.27 0.00 0.00 64.05 58.91 11bg n THR 36 Cb 0.64 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 11bg n THR 36 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 11bg s GLN 37 N -2.64 3.32 0.00 -0.78 0.74 -1.26 -4.15 119.66 114.89 11bg s GLN 37 Ca 0.35 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.46 11bg s GLN 37 Cb 0.34 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 30.46 11bg s GLN 37 CO -0.06 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 173.92 11bg n GLY 38 N 5.05 2.58 3.62 2.59 0.00 -1.26 -4.88 105.19 112.89 11bg n GLY 38 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 11bg n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 11bg s LYS 39 N 0.00 1.10 -0.33 1.61 -2.85 -1.26 -5.07 119.74 112.94 11bg s LYS 39 Ca 0.00 -0.52 -0.11 0.00 -1.00 0.00 0.00 55.97 54.35 11bg s LYS 39 Cb 0.00 0.44 -0.00 0.00 -2.06 0.00 0.00 37.83 36.20 11bg s LYS 39 CO 0.00 -0.49 0.19 0.00 0.10 0.00 0.00 175.35 175.14 11bg s LYS 41 N 1.63 4.16 0.09 0.00 2.20 -0.79 -4.92 119.74 122.11 11bg s LYS 41 Ca 0.04 2.51 -0.24 0.00 -0.36 0.00 0.00 55.97 57.93 11bg s LYS 41 Cb -0.18 -3.39 -0.13 0.00 -1.51 0.00 0.00 37.83 32.62 11bg s LYS 41 CO 0.07 -0.76 1.72 -1.35 -0.36 0.00 0.00 175.35 174.67 11bg h PRO 42 N 7.80 -0.10 -3.78 4.03 0.11 -1.95 -3.43 132.00 134.68 11bg h PRO 42 Ca -0.44 0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.44 11bg h PRO 42 Cb 1.21 0.02 -0.28 0.00 0.11 0.00 0.00 31.00 32.06 11bg h PRO 42 CO 0.94 -0.07 -0.72 0.08 -0.21 0.00 0.00 178.00 178.03 11bg s VAL 43 N -6.18 0.03 -0.20 3.15 1.01 -1.26 -1.06 120.40 115.90 11bg s VAL 43 Ca -0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 11bg s VAL 43 Cb 0.06 -0.05 0.05 0.00 0.00 0.00 0.00 36.38 36.45 11bg s VAL 43 CO 0.66 -0.03 0.54 0.21 0.00 0.00 0.00 175.10 176.48 11bg s ASN 44 N -0.11 -0.58 -0.11 3.32 2.47 -0.26 -5.01 114.94 114.65 11bg s ASN 44 Ca -0.01 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.36 11bg s ASN 44 Cb -0.01 1.08 -0.02 0.00 -1.45 0.00 0.00 41.25 40.85 11bg s ASN 44 CO -0.00 -0.19 -0.11 -0.89 -3.72 0.00 0.00 177.10 172.19 11bg s THR 45 N 0.50 3.31 -0.12 -5.21 2.01 -1.26 -1.31 115.64 113.56 11bg s THR 45 Ca -0.02 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 11bg s THR 45 Cb -0.04 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 11bg s THR 45 CO -0.02 0.54 0.02 -0.36 -0.69 0.00 0.00 174.62 174.11 11bg s PHE 46 N -0.03 3.20 -0.15 4.92 0.08 -0.27 -4.96 117.98 120.77 11bg s PHE 46 Ca -0.02 0.12 -0.04 0.00 0.12 0.00 0.00 56.93 57.11 11bg s PHE 46 Cb -0.14 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 11bg s PHE 46 CO 0.04 0.35 0.00 0.08 -0.10 0.00 0.00 175.22 175.59 11bg s VAL 47 N -0.45 4.27 -2.18 -0.44 1.01 -1.26 -0.79 120.40 120.56 11bg s VAL 47 Ca 0.09 -0.23 0.22 0.00 0.00 0.00 0.00 61.98 62.05 11bg s VAL 47 Cb -0.12 -2.87 0.46 0.00 0.00 0.00 0.00 36.38 33.85 11bg s VAL 47 CO 0.02 0.51 1.41 1.41 0.00 0.00 0.00 175.10 178.45 11bg n HIS 48 N 3.17 0.61 -1.90 5.22 -0.00 0.19 -4.96 115.22 117.55 11bg n HIS 48 Ca -0.17 -0.33 -0.29 0.00 -0.00 0.00 0.00 57.72 56.92 11bg n HIS 48 Cb 0.53 -0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.64 11bg n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 11bg s GLU 49 N -1.29 1.46 0.53 -0.41 0.41 -1.26 -4.98 118.70 113.16 11bg s GLU 49 Ca 0.39 -0.07 -0.18 0.00 -0.41 0.00 0.00 54.97 54.70 11bg s GLU 49 Cb 0.22 -1.91 -0.07 0.00 -1.78 0.00 0.00 34.13 30.60 11bg s GLU 49 CO 0.30 -1.91 1.03 -1.54 -0.49 0.00 0.00 175.26 172.65 11bg s SER 50 N -4.68 6.24 0.36 -0.19 1.04 -1.26 -4.91 113.70 110.31 11bg s SER 50 Ca 0.66 1.79 0.08 0.00 0.48 0.00 0.00 55.95 58.96 11bg s SER 50 Cb -0.09 -2.54 0.80 0.00 0.10 0.00 0.00 66.02 64.30 11bg s SER 50 CO 0.51 -0.85 1.92 0.25 0.98 0.00 0.00 173.24 176.04 11bg h LEU 51 N 1.02 0.64 -1.03 2.42 5.85 -1.97 -0.88 115.31 121.36 11bg h LEU 51 Ca -0.48 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 11bg h LEU 51 Cb 1.21 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 11bg h LEU 51 CO 0.59 0.37 0.42 0.00 -0.34 0.00 0.00 178.44 179.49 11bg h ALA 52 N 1.60 1.25 -0.23 1.25 0.00 -1.99 -0.51 119.26 120.64 11bg h ALA 52 Ca 0.37 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 11bg h ALA 52 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 11bg h ALA 52 CO -0.15 0.60 -0.43 -0.44 0.00 0.00 0.00 179.25 178.83 11bg h ASP 53 N 1.11 0.59 -0.24 0.00 3.32 -1.55 -2.29 116.42 117.37 11bg h ASP 53 Ca 0.28 -0.27 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 11bg h ASP 53 Cb 0.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.42 11bg h ASP 53 CO -0.04 0.95 -0.58 0.58 -1.72 0.00 0.00 179.24 178.43 11bg h VAL 54 N 0.45 1.28 -0.24 -1.35 2.07 -0.97 -3.10 116.25 114.38 11bg h VAL 54 Ca 0.03 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 11bg h VAL 54 Cb 0.94 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 11bg h VAL 54 CO 0.08 0.57 -0.03 0.11 0.02 0.00 0.00 177.57 178.32 11bg h LYS 55 N 0.64 0.37 0.00 1.57 1.57 -1.03 -2.17 116.57 117.51 11bg h LYS 55 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 11bg h LYS 55 Cb 1.19 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 11bg h LYS 55 CO 0.13 0.42 -0.04 0.00 -0.57 0.00 0.00 179.45 179.39 11bg h ALA 56 N 1.62 1.15 0.00 3.86 0.00 -1.33 -2.49 119.26 122.07 11bg h ALA 56 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 11bg h ALA 56 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 11bg h ALA 56 CO 0.01 0.04 -0.08 0.28 0.00 0.00 0.00 179.25 179.51 11bg h VAL 57 N 0.00 0.77 0.00 0.00 2.07 -1.43 -2.11 116.25 115.56 11bg h VAL 57 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 11bg h VAL 57 Cb 0.20 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 11bg h VAL 57 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 11bg n SER 59 N -1.46 2.68 0.00 0.00 3.41 -0.79 -5.02 113.62 112.45 11bg n SER 59 Ca 0.02 -3.15 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 11bg n SER 59 Cb 0.06 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 11bg n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 11bg n GLN 60 N -1.18 2.34 -2.24 4.33 6.02 -0.06 -5.03 117.38 121.56 11bg n GLN 60 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 11bg n GLN 60 Cb 0.72 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.96 11bg n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 11bg s LYS 61 N 4.78 3.78 0.09 -1.09 2.20 -1.19 -4.89 119.74 123.42 11bg s LYS 61 Ca 0.00 1.41 -0.31 0.00 -0.36 0.00 0.00 55.97 56.72 11bg s LYS 61 Cb 0.00 -3.99 -0.07 0.00 -1.51 0.00 0.00 37.83 32.26 11bg s LYS 61 CO 0.00 -1.31 1.30 0.21 -0.36 0.00 0.00 175.35 175.20 11bg s LYS 62 N 4.60 4.37 0.13 4.03 2.36 -1.26 -0.45 119.74 133.51 11bg s LYS 62 Ca 0.65 1.94 -0.01 0.00 -2.55 0.00 0.00 55.97 56.01 11bg s LYS 62 Cb -0.20 -3.29 -0.04 0.00 -1.05 0.00 0.00 37.83 33.24 11bg s LYS 62 CO 0.28 -0.36 0.05 0.14 1.55 0.00 0.00 175.35 177.01 11bg s VAL 63 N 1.09 0.15 0.29 4.02 -7.23 -0.69 -4.89 120.40 113.14 11bg s VAL 63 Ca 0.62 -1.91 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 11bg s VAL 63 Cb -0.34 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 11bg s VAL 63 CO 0.30 -0.49 1.07 -0.89 -0.31 0.00 0.00 175.10 174.77 11bg s THR 64 N -4.01 3.60 0.51 5.32 2.01 -1.26 -3.98 115.64 117.82 11bg s THR 64 Ca 0.23 1.55 -0.21 0.00 0.31 0.00 0.00 61.69 63.57 11bg s THR 64 Cb 0.07 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 11bg s THR 64 CO 0.01 0.32 1.18 0.00 -0.69 0.00 0.00 174.62 175.44 11bg h LYS 66 N 1.58 0.29 -6.67 0.00 1.79 -1.91 -3.46 116.57 108.19 11bg h LYS 66 Ca -0.50 -0.49 -0.45 0.00 -2.18 0.00 0.00 60.65 57.03 11bg h LYS 66 Cb 1.26 0.18 0.03 0.00 -1.58 0.00 0.00 32.23 32.12 11bg h LYS 66 CO 0.58 1.17 -0.12 -0.80 -1.08 0.00 0.00 179.45 179.21 11bg s ASN 67 N -7.08 5.77 -0.75 0.86 0.01 -1.26 -4.98 114.94 107.51 11bg s ASN 67 Ca -0.08 0.18 -0.26 0.00 -0.71 0.00 0.00 52.86 52.00 11bg s ASN 67 Cb 0.07 -1.39 -0.05 0.00 0.41 0.00 0.00 41.25 40.28 11bg s ASN 67 CO 0.87 -0.73 2.03 -0.83 -1.51 0.00 0.00 177.10 176.92 11bg s GLY 68 N -4.24 -0.02 -0.02 0.66 0.00 -1.26 -4.83 107.32 97.61 11bg s GLY 68 Ca 0.49 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 44.03 11bg s GLY 68 CO 0.37 3.64 0.96 0.61 0.00 0.00 0.00 173.10 178.68 11bg n GLN 69 N 8.98 0.13 -3.94 2.90 10.64 -1.26 -5.15 117.38 129.68 11bg n GLN 69 Ca 0.34 -0.57 -0.20 0.00 -1.83 0.00 0.00 57.00 54.75 11bg n GLN 69 Cb 0.49 0.94 -0.06 0.00 -0.86 0.00 0.00 30.24 30.75 11bg n GLN 69 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 11bg n THR 70 N -0.69 0.00 -3.32 -0.39 -2.24 -1.26 -4.18 114.28 102.20 11bg n THR 70 Ca 0.03 -1.95 -0.18 0.00 -2.27 0.00 0.00 64.05 59.69 11bg n THR 70 Cb 0.43 0.74 0.07 0.00 -2.10 0.00 0.00 70.33 69.47 11bg n THR 70 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 11bg n ASN 71 N -1.67 -4.62 -4.91 3.42 5.03 -1.26 -4.73 115.26 106.52 11bg n ASN 71 Ca -0.03 -0.45 -0.32 0.00 0.87 0.00 0.00 54.58 54.65 11bg n ASN 71 Cb 0.50 -4.14 -0.04 0.00 -1.02 0.00 0.00 39.78 35.07 11bg n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 11bg s TYR 73 N -1.44 0.79 -0.13 0.00 1.51 -0.12 -1.71 117.35 116.25 11bg s TYR 73 Ca 0.32 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 56.09 11bg s TYR 73 Cb -0.13 -0.49 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 11bg s TYR 73 CO 0.24 -0.02 0.01 -1.14 -1.11 0.00 0.00 175.55 173.54 11bg s GLN 74 N -0.65 3.47 0.30 -0.62 0.74 0.40 -1.31 119.66 122.00 11bg s GLN 74 Ca 0.00 -0.41 -0.29 0.00 0.05 0.00 0.00 55.36 54.71 11bg s GLN 74 Cb -0.05 -2.96 -0.10 0.00 1.10 0.00 0.00 33.01 30.99 11bg s GLN 74 CO 0.00 0.46 1.41 -1.54 -0.55 0.00 0.00 175.29 175.08 11bg s SER 75 N -0.21 6.62 0.37 6.67 1.04 0.63 -3.17 113.70 125.65 11bg s SER 75 Ca 0.06 2.76 0.11 0.00 0.48 0.00 0.00 55.95 59.36 11bg s SER 75 Cb -0.12 -2.64 0.73 0.00 0.10 0.00 0.00 66.02 64.09 11bg s SER 75 CO 0.02 -0.69 1.85 0.07 0.98 0.00 0.00 173.24 175.47 11bg h LYS 76 N 4.07 0.11 -5.80 4.02 2.10 -1.95 -3.43 116.57 115.69 11bg h LYS 76 Ca -0.48 -0.03 -0.59 0.00 -2.00 0.00 0.00 60.65 57.55 11bg h LYS 76 Cb 1.22 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 32.47 11bg h LYS 76 CO 0.71 0.39 -0.44 -1.12 -2.00 0.00 0.00 179.45 176.99 11bg s SER 77 N -6.92 4.45 0.51 7.07 0.01 -1.26 -5.09 113.70 112.48 11bg s SER 77 Ca -0.04 -1.21 -0.10 0.00 1.31 0.00 0.00 55.95 55.90 11bg s SER 77 Cb 0.15 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.26 11bg s SER 77 CO 0.73 -0.76 0.90 0.42 0.41 0.00 0.00 173.24 174.94 11bg s THR 78 N -2.69 4.74 0.05 1.44 -4.23 -1.26 -4.42 115.64 109.27 11bg s THR 78 Ca 0.33 0.71 0.02 0.00 -1.18 0.00 0.00 61.69 61.57 11bg s THR 78 Cb 0.02 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 11bg s THR 78 CO 0.19 -0.83 -0.07 -0.04 -0.54 0.00 0.00 174.62 173.33 11bg s MET 79 N -4.53 0.53 -0.07 3.99 -1.94 0.17 -4.87 119.30 112.59 11bg s MET 79 Ca 0.53 -0.81 -0.30 0.00 -1.71 0.00 0.00 55.69 53.40 11bg s MET 79 Cb -0.10 -0.22 -0.03 0.00 2.01 0.00 0.00 34.83 36.49 11bg s MET 79 CO 0.42 0.03 1.15 1.03 -0.01 0.00 0.00 175.02 177.63 11bg s ARG 80 N -1.84 4.37 0.12 2.03 0.52 -1.26 -2.21 118.95 120.68 11bg s ARG 80 Ca -0.08 1.60 -0.00 0.00 -0.52 0.00 0.00 55.73 56.72 11bg s ARG 80 Cb -0.08 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 11bg s ARG 80 CO -0.01 -0.41 0.02 0.96 0.02 0.00 0.00 175.30 175.89 11bg s ILE 81 N 2.13 0.27 -0.10 1.52 -4.36 -0.73 -0.63 121.20 119.30 11bg s ILE 81 Ca 0.54 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 59.03 11bg s ILE 81 Cb -0.23 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.56 11bg s ILE 81 CO 0.21 -0.59 -0.10 -0.89 0.24 0.00 0.00 174.94 173.81 11bg s THR 82 N -3.92 1.13 -0.17 8.37 2.01 0.03 -2.16 115.64 120.93 11bg s THR 82 Ca 0.20 -0.41 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 11bg s THR 82 Cb 0.07 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 11bg s THR 82 CO -0.00 0.37 0.29 -0.62 -0.69 0.00 0.00 174.62 173.97 11bg s ASP 83 N 1.25 6.41 -0.16 3.53 -1.08 0.88 -1.12 116.67 126.37 11bg s ASP 83 Ca -0.03 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 11bg s ASP 83 Cb -0.14 -2.18 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 11bg s ASP 83 CO -0.03 0.08 -0.16 0.00 0.52 0.00 0.00 175.17 175.58 11bg s ARG 85 N 0.96 0.76 0.40 0.00 3.52 -0.96 -1.10 118.95 122.52 11bg s ARG 85 Ca -0.03 -0.23 -0.27 0.00 -0.13 0.00 0.00 55.73 55.07 11bg s ARG 85 Cb -0.15 -0.73 -0.10 0.00 -1.56 0.00 0.00 34.95 32.40 11bg s ARG 85 CO -0.03 0.08 1.43 0.39 -0.81 0.00 0.00 175.30 176.37 11bg n GLU 86 N 3.31 2.43 -1.86 5.12 1.02 -0.22 -0.91 120.64 129.52 11bg n GLU 86 Ca -0.18 0.86 -0.30 0.00 -0.02 0.00 0.00 57.16 57.52 11bg n GLU 86 Cb 0.55 -2.59 0.05 0.00 -0.02 0.00 0.00 31.44 29.43 11bg n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 11bg s THR 87 N -1.14 3.30 0.53 2.62 -4.23 0.10 -4.76 115.64 112.05 11bg s THR 87 Ca 0.56 0.42 0.20 0.00 -1.18 0.00 0.00 61.69 61.70 11bg s THR 87 Cb -0.48 -3.40 0.28 0.00 1.34 0.00 0.00 72.50 70.25 11bg s THR 87 CO 0.61 -0.55 2.16 1.23 -0.54 0.00 0.00 174.62 177.53 11bg h GLY 88 N -0.73 0.00 -0.34 3.99 0.00 -1.94 -1.66 103.07 102.39 11bg h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 11bg h GLY 88 CO 0.64 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.04 11bg n SER 89 N -4.29 1.36 -4.73 0.19 3.41 -1.26 -4.92 113.62 103.38 11bg n SER 89 Ca -0.03 -1.46 -0.42 0.00 -0.26 0.00 0.00 58.87 56.70 11bg n SER 89 Cb 0.11 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 11bg n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 11bg s SER 90 N -1.97 6.57 -0.28 4.04 0.15 -0.63 -4.92 113.70 116.66 11bg s SER 90 Ca 0.39 2.69 -0.09 0.00 0.70 0.00 0.00 55.95 59.64 11bg s SER 90 Cb 0.21 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 62.04 11bg s SER 90 CO 0.33 -0.80 0.60 -0.75 1.20 0.00 0.00 173.24 173.82 11bg s LYS 91 N 0.40 0.53 0.31 5.44 2.20 -0.77 -4.93 119.74 122.92 11bg s LYS 91 Ca 0.66 1.35 -0.28 0.00 -0.36 0.00 0.00 55.97 57.34 11bg s LYS 91 Cb -0.44 0.75 -0.13 0.00 -1.51 0.00 0.00 37.83 36.50 11bg s LYS 91 CO 0.38 -0.24 1.10 0.98 -0.36 0.00 0.00 175.35 177.21 11bg n TYR 92 N 5.44 1.60 2.00 4.03 9.36 -1.26 0.65 117.16 138.97 11bg n TYR 92 Ca -0.11 0.65 0.08 0.00 3.32 0.00 0.00 57.90 61.84 11bg n TYR 92 Cb 0.49 -2.30 0.48 0.00 -0.63 0.00 0.00 39.34 37.38 11bg n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 11bg n PRO 93 N 0.64 1.00 -3.08 2.98 -0.04 -1.26 -4.96 135.00 130.28 11bg n PRO 93 Ca 0.08 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 11bg n PRO 93 Cb 0.34 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 11bg n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 11bg n ASN 94 N -0.75 6.16 -4.77 3.54 5.03 0.21 -5.03 115.26 119.65 11bg n ASN 94 Ca 0.12 -3.31 -0.39 0.00 0.87 0.00 0.00 54.58 51.88 11bg n ASN 94 Cb 0.06 -1.31 -0.04 0.00 -1.02 0.00 0.00 39.78 37.46 11bg n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 11bg s ALA 96 N -1.39 -0.21 0.04 0.00 0.00 -1.26 -4.92 121.76 114.01 11bg s ALA 96 Ca 0.50 0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.81 11bg s ALA 96 Cb -0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 11bg s ALA 96 CO 0.34 -0.06 -0.15 0.71 0.00 0.00 0.00 175.76 176.60 11bg s TYR 97 N 0.22 1.34 -0.18 0.00 1.51 -1.26 -0.72 117.35 118.26 11bg s TYR 97 Ca -0.01 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.57 11bg s TYR 97 Cb -0.02 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.98 11bg s TYR 97 CO -0.01 0.04 0.21 0.21 -1.11 0.00 0.00 175.55 174.90 11bg s LYS 98 N -1.12 4.22 -0.17 -0.62 2.20 -0.09 -4.59 119.74 119.56 11bg s LYS 98 Ca 0.03 -0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 11bg s LYS 98 Cb -0.08 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 11bg s LYS 98 CO 0.01 0.27 0.16 0.99 -0.36 0.00 0.00 175.35 176.42 11bg s THR 99 N 0.40 5.41 -0.07 3.43 2.01 -1.26 -2.26 115.64 123.30 11bg s THR 99 Ca 0.12 0.25 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 11bg s THR 99 Cb -0.12 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 68.95 11bg s THR 99 CO 0.01 0.48 0.07 -0.89 -0.69 0.00 0.00 174.62 173.60 11bg s THR 100 N 0.01 -0.11 -0.00 -0.82 2.01 -0.56 -4.99 115.64 111.18 11bg s THR 100 Ca 0.11 0.31 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 11bg s THR 100 Cb -0.12 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 11bg s THR 100 CO 0.00 0.09 0.35 -1.10 -0.69 0.00 0.00 174.62 173.27 11bg s GLN 101 N 2.17 3.77 0.16 4.92 -0.21 -1.26 -0.09 119.66 129.12 11bg s GLN 101 Ca 0.04 0.23 -0.25 0.00 0.02 0.00 0.00 55.36 55.41 11bg s GLN 101 Cb -0.13 -3.15 0.06 0.00 1.00 0.00 0.00 33.01 30.79 11bg s GLN 101 CO -0.04 0.67 0.88 0.54 -2.12 0.00 0.00 175.29 175.22 11bg s VAL 102 N -1.16 0.00 -0.17 1.09 0.11 -0.92 -4.99 120.40 114.36 11bg s VAL 102 Ca 0.25 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.70 11bg s VAL 102 Cb -0.15 -1.80 0.02 0.00 -1.53 0.00 0.00 36.38 32.92 11bg s VAL 102 CO 0.13 0.00 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.10 11bg s GLU 103 N -3.41 2.83 0.22 1.54 2.02 -1.26 -1.78 118.70 118.85 11bg s GLU 103 Ca 0.10 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.26 11bg s GLU 103 Cb -0.02 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.72 11bg s GLU 103 CO 0.01 -0.22 0.30 0.15 0.02 0.00 0.00 175.26 175.52 11bg s LYS 104 N 1.34 1.36 0.38 1.61 1.02 -0.94 -4.83 119.74 119.68 11bg s LYS 104 Ca 0.05 -1.43 -0.23 0.00 0.02 0.00 0.00 55.97 54.39 11bg s LYS 104 Cb -0.13 0.37 -0.10 0.00 -0.52 0.00 0.00 37.83 37.45 11bg s LYS 104 CO -0.12 -0.51 0.93 -1.01 -0.92 0.00 0.00 175.35 173.71 11bg s HIS 105 N -4.08 3.47 0.10 3.18 3.76 0.58 0.44 115.29 122.74 11bg s HIS 105 Ca 0.30 1.65 0.08 0.00 -0.15 0.00 0.00 55.06 56.93 11bg s HIS 105 Cb 0.03 -2.85 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 11bg s HIS 105 CO 0.10 0.03 -0.14 0.96 -0.85 0.00 0.00 174.74 174.85 11bg s ILE 106 N -1.94 3.14 -0.17 0.60 -4.36 -1.26 -0.01 121.20 117.20 11bg s ILE 106 Ca 0.57 -1.34 0.01 0.00 -0.26 0.00 0.00 60.65 59.62 11bg s ILE 106 Cb -0.13 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.15 11bg s ILE 106 CO 0.17 0.13 -0.19 -0.63 0.24 0.00 0.00 174.94 174.66 11bg s ILE 107 N -1.17 1.95 0.11 8.37 1.01 0.11 -0.27 121.20 131.32 11bg s ILE 107 Ca 0.20 -0.87 0.10 0.00 0.00 0.00 0.00 60.65 60.07 11bg s ILE 107 Cb -0.11 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 11bg s ILE 107 CO 0.12 0.52 -0.24 0.68 0.00 0.00 0.00 174.94 176.02 11bg s VAL 108 N 1.33 1.97 -0.19 2.92 -7.23 -0.42 -1.08 120.40 117.70 11bg s VAL 108 Ca 0.05 -1.64 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 11bg s VAL 108 Cb -0.13 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 11bg s VAL 108 CO -0.12 0.01 0.43 0.00 -0.31 0.00 0.00 175.10 175.11 11bg s ALA 109 N -1.11 3.55 0.14 1.32 0.00 -0.42 -0.94 121.76 124.30 11bg s ALA 109 Ca 0.10 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.65 11bg s ALA 109 Cb -0.10 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 11bg s ALA 109 CO 0.05 -0.28 0.10 0.00 0.00 0.00 0.00 175.76 175.63 11bg s GLY 111 N -2.87 0.19 0.00 0.00 0.00 -0.60 -4.88 107.32 99.16 11bg s GLY 111 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.52 11bg s GLY 111 CO 0.22 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.46 11bg n GLY 112 N -0.57 -3.06 2.83 0.20 0.00 -1.26 -1.73 105.19 101.61 11bg n GLY 112 Ca -0.06 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 11bg n GLY 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 11bg s LYS 113 N -0.86 0.30 0.66 1.61 2.36 -1.26 -3.59 119.74 118.96 11bg s LYS 113 Ca 0.00 0.25 -0.17 0.00 -2.55 0.00 0.00 55.97 53.49 11bg s LYS 113 Cb 0.00 -0.71 -0.02 0.00 -1.05 0.00 0.00 37.83 36.05 11bg s LYS 113 CO 0.00 -0.77 1.08 -2.30 1.55 0.00 0.00 175.35 174.90 11bg n PRO 114 N 5.34 0.83 -2.11 4.03 -0.02 -1.26 -5.10 135.00 136.71 11bg n PRO 114 Ca -0.03 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 11bg n PRO 114 Cb 0.49 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 11bg n PRO 114 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 11bg s SER 115 N -1.43 6.75 0.09 2.55 0.15 -1.24 -4.91 113.70 115.68 11bg s SER 115 Ca 0.78 2.23 0.02 0.00 0.70 0.00 0.00 55.95 59.67 11bg s SER 115 Cb -0.38 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.33 11bg s SER 115 CO 0.45 -0.80 -0.06 0.68 1.20 0.00 0.00 173.24 174.71 11bg s VAL 116 N 2.70 0.65 0.10 4.45 -7.23 -0.70 -4.85 120.40 115.52 11bg s VAL 116 Ca 0.68 -1.89 -0.31 0.00 -1.81 0.00 0.00 61.98 58.64 11bg s VAL 116 Cb -0.34 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 11bg s VAL 116 CO 0.28 -0.87 1.57 -2.84 -0.31 0.00 0.00 175.10 172.94 11bg s PRO 117 N -3.76 4.22 0.00 4.82 0.02 -1.26 -1.56 135.00 137.49 11bg s PRO 117 Ca 0.11 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.41 11bg s PRO 117 Cb 0.05 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.17 11bg s PRO 117 CO -0.05 -0.64 0.00 1.33 -0.33 0.00 0.00 177.00 177.31 11bg n VAL 118 N 4.36 0.00 -3.92 3.83 0.24 0.34 -4.91 118.33 118.27 11bg n VAL 118 Ca 0.14 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.34 11bg n VAL 118 Cb 0.40 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.14 11bg n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 11bg s HIS 119 N -1.95 0.13 -0.24 6.34 3.76 -1.00 -4.99 115.29 117.34 11bg s HIS 119 Ca 0.00 -0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 11bg s HIS 119 Cb 0.00 -0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.54 11bg s HIS 119 CO 0.00 -0.22 0.22 0.12 -0.85 0.00 0.00 174.74 174.00 11bg s PHE 120 N -1.29 3.31 -0.21 1.40 2.19 -1.26 -1.30 117.98 120.82 11bg s PHE 120 Ca -0.14 0.28 -0.16 0.00 0.33 0.00 0.00 56.93 57.24 11bg s PHE 120 Cb -0.08 -2.35 -0.12 0.00 -1.31 0.00 0.00 43.02 39.17 11bg s PHE 120 CO 0.00 -0.00 -0.10 -3.47 1.83 0.00 0.00 175.22 173.48 11bg n ASP 121 N 4.51 1.88 -3.62 6.13 2.03 -0.24 -4.93 116.55 122.31 11bg n ASP 121 Ca -0.13 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.62 11bg n ASP 121 Cb 0.52 -0.88 -0.01 0.00 -0.72 0.00 0.00 41.12 40.04 11bg n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 11bg s ALA 122 N -2.57 -2.20 -0.01 -1.67 0.00 -0.97 -4.61 121.76 109.73 11bg s ALA 122 Ca -0.28 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.61 11bg s ALA 122 Cb 0.07 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 11bg s ALA 122 CO 0.46 -0.97 -0.25 -1.54 0.00 0.00 0.00 175.76 173.45 11bg s SER 123 N -2.84 3.15 0.00 0.00 1.04 -1.26 0.04 113.70 113.84 11bg s SER 123 Ca 0.13 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.10 11bg s SER 123 Cb 0.04 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.78 11bg s SER 123 CO -0.04 0.31 0.24 0.55 0.98 0.00 0.00 173.24 175.28