#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lic h ASP 2 N 0.00 0.29 0.34 0.00 5.19 -2.02 -1.64 116.42 118.59 1lic h ASP 2 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1lic h ASP 2 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1lic h ASP 2 CO 0.00 0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.31 1lic h ALA 3 N 1.75 1.00 0.00 3.45 0.00 -2.03 -2.76 119.26 120.67 1lic h ALA 3 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1lic h ALA 3 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1lic h ALA 3 CO -0.05 0.00 -1.61 1.19 0.00 0.00 0.00 179.25 178.78 1lic n PHE 4 N -2.70 0.26 -1.74 0.00 3.72 -0.62 -4.98 117.46 111.41 1lic n PHE 4 Ca -0.01 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1lic n PHE 4 Cb 0.14 -0.58 -0.02 0.00 -0.94 0.00 0.00 39.48 38.07 1lic n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1lic n VAL 5 N -2.30 0.63 0.00 -4.37 0.31 -1.04 -4.58 118.33 106.99 1lic n VAL 5 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1lic n VAL 5 Cb 0.54 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1lic n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lic n GLY 6 N 2.86 0.95 3.50 2.92 0.00 -0.60 -4.96 105.19 109.86 1lic n GLY 6 Ca 0.11 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 1lic n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lic s THR 7 N -1.48 3.82 0.03 2.61 2.01 -1.26 -1.30 115.64 120.07 1lic s THR 7 Ca 0.00 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.68 1lic s THR 7 Cb 0.00 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1lic s THR 7 CO 0.00 0.51 -0.20 0.26 -0.69 0.00 0.00 174.62 174.49 1lic s TRP 8 N 0.24 1.79 -0.03 4.92 0.52 0.13 -1.14 118.94 125.38 1lic s TRP 8 Ca -0.03 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.79 1lic s TRP 8 Cb -0.14 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1lic s TRP 8 CO 0.03 0.05 -0.22 -1.59 0.02 0.00 0.00 176.95 175.24 1lic s LYS 9 N -0.96 2.23 0.22 4.98 -2.85 0.43 -0.02 119.74 123.76 1lic s LYS 9 Ca 0.07 -0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 53.88 1lic s LYS 9 Cb -0.08 -2.15 -0.10 0.00 -2.06 0.00 0.00 37.83 33.43 1lic s LYS 9 CO 0.01 0.58 1.55 -1.17 0.10 0.00 0.00 175.35 176.42 1lic s LEU 10 N -0.65 4.37 -0.10 2.77 2.96 -1.14 -1.43 118.68 125.46 1lic s LEU 10 Ca 0.10 2.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.75 1lic s LEU 10 Cb -0.10 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1lic s LEU 10 CO -0.01 -0.82 -0.08 0.52 -1.32 0.00 0.00 176.35 174.65 1lic n VAL 11 N 3.11 0.56 -3.64 1.68 0.31 0.86 -4.90 118.33 116.32 1lic n VAL 11 Ca 0.11 -0.23 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 1lic n VAL 11 Cb 0.38 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.41 1lic n VAL 11 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1lic s SER 12 N -4.89 -0.32 0.02 4.52 1.04 -1.08 -4.99 113.70 108.00 1lic s SER 12 Ca -0.13 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.33 1lic s SER 12 Cb 0.03 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 1lic s SER 12 CO 0.23 -0.70 -0.06 -0.55 0.98 0.00 0.00 173.24 173.15 1lic s SER 13 N -2.08 0.66 -0.03 7.02 0.15 -1.26 -1.13 113.70 117.03 1lic s SER 13 Ca -0.04 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1lic s SER 13 Cb -0.01 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1lic s SER 13 CO -0.03 -0.07 0.05 -0.70 1.20 0.00 0.00 173.24 173.68 1lic s GLU 14 N -0.80 -0.03 -2.01 5.44 2.12 -0.19 -4.88 118.70 118.35 1lic s GLU 14 Ca -0.04 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.59 1lic s GLU 14 Cb -0.06 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 33.90 1lic s GLU 14 CO 0.00 -0.27 0.00 0.09 -0.54 0.00 0.00 175.26 174.54 1lic n ASN 15 N 4.88 -5.53 -0.18 -1.70 3.02 -1.26 -1.77 115.26 112.72 1lic n ASN 15 Ca -0.12 0.33 -0.09 0.00 -0.03 0.00 0.00 54.58 54.67 1lic n ASN 15 Cb 0.50 -4.72 0.01 0.00 -0.61 0.00 0.00 39.78 34.96 1lic n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1lic h PHE 16 N 0.00 0.89 -0.52 3.10 3.57 -1.90 -1.74 116.94 120.34 1lic h PHE 16 Ca -0.43 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 60.91 1lic h PHE 16 Cb 1.33 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1lic h PHE 16 CO 0.56 0.79 0.13 0.22 -2.23 0.00 0.00 178.31 177.77 1lic h ASP 17 N 0.74 0.73 -0.43 0.41 3.58 -1.96 -1.24 116.42 118.25 1lic h ASP 17 Ca 0.16 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 1lic h ASP 17 Cb 0.35 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1lic h ASP 17 CO 0.00 0.71 -0.14 0.44 -2.88 0.00 0.00 179.24 177.38 1lic h ASP 18 N 0.76 0.90 -0.21 2.28 3.32 -1.89 -0.78 116.42 120.80 1lic h ASP 18 Ca 0.17 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1lic h ASP 18 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1lic h ASP 18 CO -0.00 1.04 0.09 0.22 -1.72 0.00 0.00 179.24 178.87 1lic h TYR 19 N 0.80 0.32 -0.15 4.55 3.20 -0.85 -2.24 116.97 122.59 1lic h TYR 19 Ca 0.12 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1lic h TYR 19 Cb 0.67 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 1lic h TYR 19 CO 0.04 0.35 -0.01 0.52 -1.64 0.00 0.00 178.16 177.42 1lic h MET 20 N 0.20 0.22 -0.19 1.82 2.86 -1.00 -1.45 114.93 117.38 1lic h MET 20 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1lic h MET 20 Cb 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1lic h MET 20 CO -0.01 0.25 0.09 0.87 1.06 0.00 0.00 176.91 179.17 1lic h LYS 21 N 0.22 0.28 -0.53 1.72 1.57 -0.73 -0.06 116.57 119.04 1lic h LYS 21 Ca 0.05 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1lic h LYS 21 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1lic h LYS 21 CO 0.00 0.31 0.11 0.93 -0.57 0.00 0.00 179.45 180.23 1lic h GLU 22 N 0.18 0.83 0.00 3.15 4.39 -0.90 -2.17 114.58 120.05 1lic h GLU 22 Ca 0.07 -0.18 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1lic h GLU 22 Cb 0.12 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1lic h GLU 22 CO -0.01 0.76 -0.30 0.28 -1.16 0.00 0.00 179.01 178.58 1lic h VAL 23 N 0.79 0.79 0.00 3.13 2.07 -1.12 -3.47 116.25 118.44 1lic h VAL 23 Ca 0.17 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1lic h VAL 23 Cb 0.32 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1lic h VAL 23 CO 0.00 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.50 1lic n GLY 24 N 0.01 1.25 3.75 2.17 0.00 -0.66 -5.09 105.19 106.63 1lic n GLY 24 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1lic n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lic s VAL 25 N -2.00 3.75 0.82 1.61 1.01 -0.12 -5.02 120.40 120.44 1lic s VAL 25 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 1lic s VAL 25 Cb 0.00 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 32.43 1lic s VAL 25 CO 0.00 0.33 1.09 -0.83 0.00 0.00 0.00 175.10 175.70 1lic s GLY 26 N -0.53 1.66 0.13 4.51 0.00 -1.26 -4.68 107.32 107.14 1lic s GLY 26 Ca 0.46 0.18 -0.28 0.00 0.00 0.00 0.00 44.72 45.08 1lic s GLY 26 CO 0.37 0.57 1.60 -2.75 0.00 0.00 0.00 173.10 172.89 1lic h PHE 27 N -1.30 -1.00 -0.22 1.90 3.57 -1.98 0.47 116.94 118.39 1lic h PHE 27 Ca -0.45 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1lic h PHE 27 Cb 1.25 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 40.41 1lic h PHE 27 CO 0.53 -0.44 0.03 0.00 -2.23 0.00 0.00 178.31 176.20 1lic h ALA 28 N 0.22 0.21 -0.82 2.41 0.00 -1.99 0.27 119.26 119.55 1lic h ALA 28 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1lic h ALA 28 Cb 0.59 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1lic h ALA 28 CO -0.32 -0.39 0.44 1.15 0.00 0.00 0.00 179.25 180.12 1lic h THR 29 N 0.11 1.25 -0.74 0.00 2.02 -1.88 -0.52 112.91 113.15 1lic h THR 29 Ca 0.10 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1lic h THR 29 Cb 0.10 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1lic h THR 29 CO -0.14 0.28 0.34 0.03 0.37 0.00 0.00 175.52 176.40 1lic h ARG 30 N 1.15 1.07 -0.46 6.66 3.08 -0.39 -0.08 114.38 125.42 1lic h ARG 30 Ca 0.29 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1lic h ARG 30 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1lic h ARG 30 CO -0.04 0.84 0.02 0.87 -1.07 0.00 0.00 179.97 180.58 1lic h LYS 31 N 1.06 0.80 -0.32 0.04 1.79 -0.04 -0.73 116.57 119.16 1lic h LYS 31 Ca 0.25 -0.24 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1lic h LYS 31 Cb 0.13 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 1lic h LYS 31 CO -0.03 0.84 0.08 0.28 -1.08 0.00 0.00 179.45 179.54 1lic h VAL 32 N 0.66 1.22 -0.62 0.50 2.07 -0.73 -2.87 116.25 116.47 1lic h VAL 32 Ca 0.13 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1lic h VAL 32 Cb 0.47 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1lic h VAL 32 CO 0.02 0.24 0.40 0.00 0.02 0.00 0.00 177.57 178.25 1lic h ALA 33 N 0.92 1.54 0.00 1.67 0.00 -0.87 -2.34 119.26 120.18 1lic h ALA 33 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1lic h ALA 33 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1lic h ALA 33 CO 0.00 0.42 -0.23 0.78 0.00 0.00 0.00 179.25 180.22 1lic h GLY 34 N 0.85 0.00 1.07 0.00 0.00 -0.92 -2.93 103.07 101.13 1lic h GLY 34 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1lic h GLY 34 CO -0.05 0.00 -1.03 -0.33 0.00 0.00 0.00 176.54 175.13 1lic h MET 35 N 0.00 0.00 -6.51 4.80 2.86 -1.25 -3.46 114.93 111.37 1lic h MET 35 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1lic h MET 35 Cb 0.75 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.41 1lic h MET 35 CO 0.03 0.08 0.56 0.00 1.06 0.00 0.00 176.91 178.64 1lic s ALA 36 N -3.25 3.40 -0.76 6.32 0.00 -0.95 -4.97 121.76 121.56 1lic s ALA 36 Ca -0.01 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1lic s ALA 36 Cb 0.09 -3.44 0.20 0.00 0.00 0.00 0.00 23.12 19.97 1lic s ALA 36 CO 0.79 -0.43 0.64 1.17 0.00 0.00 0.00 175.76 177.93 1lic n LYS 37 N 3.77 2.24 -0.84 0.00 4.81 -1.26 -4.98 118.16 121.90 1lic n LYS 37 Ca 0.08 -4.53 -0.31 0.00 -0.87 0.00 0.00 58.31 52.69 1lic n LYS 37 Cb 0.46 -2.32 0.15 0.00 0.02 0.00 0.00 35.03 33.34 1lic n LYS 37 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1lic s PRO 38 N -1.66 1.31 -0.13 1.64 0.02 -1.26 -4.74 135.00 130.18 1lic s PRO 38 Ca 0.28 1.49 -0.00 0.00 0.02 0.00 0.00 61.00 62.79 1lic s PRO 38 Cb -0.02 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.72 1lic s PRO 38 CO -0.13 -2.41 -0.12 -0.80 -0.33 0.00 0.00 177.00 173.22 1lic s ASN 39 N -2.77 4.13 -0.19 2.53 0.02 -0.55 -2.90 114.94 115.20 1lic s ASN 39 Ca 0.66 -0.29 -0.08 0.00 -1.02 0.00 0.00 52.86 52.13 1lic s ASN 39 Cb -0.22 -1.60 -0.04 0.00 0.02 0.00 0.00 41.25 39.41 1lic s ASN 39 CO 0.57 0.18 0.08 -0.32 0.02 0.00 0.00 177.10 177.62 1lic s MET 40 N 0.29 4.00 -0.18 -0.60 -2.45 0.96 -1.02 119.30 120.30 1lic s MET 40 Ca -0.09 -0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.03 1lic s MET 40 Cb -0.15 -3.27 0.02 0.00 1.25 0.00 0.00 34.83 32.68 1lic s MET 40 CO 0.05 0.25 -0.19 0.42 1.05 0.00 0.00 175.02 176.59 1lic s ILE 41 N 0.46 2.11 -0.09 10.11 1.01 0.69 0.20 121.20 135.69 1lic s ILE 41 Ca 0.04 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1lic s ILE 41 Cb -0.12 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1lic s ILE 41 CO 0.00 0.54 -0.22 -0.63 0.00 0.00 0.00 174.94 174.63 1lic s ILE 42 N 1.29 2.30 0.06 2.92 1.01 -0.42 -0.63 121.20 127.73 1lic s ILE 42 Ca 0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 1lic s ILE 42 Cb -0.13 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1lic s ILE 42 CO -0.12 0.56 0.14 -0.94 0.00 0.00 0.00 174.94 174.58 1lic s SER 43 N 0.09 0.15 -0.02 3.58 1.04 -0.72 -1.56 113.70 116.26 1lic s SER 43 Ca -0.10 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1lic s SER 43 Cb -0.16 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.24 1lic s SER 43 CO 0.06 -0.61 -0.11 -0.69 0.98 0.00 0.00 173.24 172.87 1lic s VAL 44 N -3.16 0.91 -0.25 5.02 1.01 -1.26 -0.70 120.40 121.97 1lic s VAL 44 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1lic s VAL 44 Cb 0.02 -0.79 0.09 0.00 0.00 0.00 0.00 36.38 35.69 1lic s VAL 44 CO -0.07 0.27 0.10 0.21 0.00 0.00 0.00 175.10 175.61 1lic s ASN 45 N 0.07 3.32 1.54 3.32 3.04 -0.08 -5.01 114.94 121.14 1lic s ASN 45 Ca -0.02 -1.16 0.00 0.00 0.04 0.00 0.00 52.86 51.73 1lic s ASN 45 Cb -0.08 -0.50 0.00 0.00 -1.54 0.00 0.00 41.25 39.13 1lic s ASN 45 CO 0.01 -0.39 0.00 0.61 -3.04 0.00 0.00 177.10 174.28 1lic n GLY 46 N 5.12 2.41 1.43 1.21 0.00 -1.26 -1.64 105.19 112.46 1lic n GLY 46 Ca -0.06 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.76 1lic n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lic n ASP 47 N 6.62 4.19 -4.62 1.61 9.92 -1.26 -4.89 116.55 128.12 1lic n ASP 47 Ca 0.00 -2.14 -0.36 0.00 -0.53 0.00 0.00 54.79 51.76 1lic n ASP 47 Cb 0.00 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 39.86 1lic n ASP 47 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1lic s LEU 48 N -1.25 3.96 -0.10 0.64 1.43 -0.65 -4.34 118.68 118.36 1lic s LEU 48 Ca 0.50 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1lic s LEU 48 Cb 0.28 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1lic s LEU 48 CO 0.31 0.06 0.01 -0.69 0.23 0.00 0.00 176.35 176.27 1lic s VAL 49 N 1.06 4.37 -0.08 -1.59 1.01 0.19 -0.90 120.40 124.45 1lic s VAL 49 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1lic s VAL 49 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1lic s VAL 49 CO 0.04 0.59 -0.22 -0.89 0.00 0.00 0.00 175.10 174.62 1lic s THR 50 N -0.69 1.86 -0.18 3.92 2.01 0.13 -1.12 115.64 121.56 1lic s THR 50 Ca 0.11 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.20 1lic s THR 50 Cb -0.12 -1.61 0.03 0.00 0.01 0.00 0.00 72.50 70.81 1lic s THR 50 CO 0.02 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.67 1lic s ILE 51 N 0.28 1.91 -0.06 1.82 1.01 -0.25 -1.76 121.20 124.14 1lic s ILE 51 Ca -0.14 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.62 1lic s ILE 51 Cb -0.16 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1lic s ILE 51 CO 0.07 0.43 -0.24 -0.60 0.00 0.00 0.00 174.94 174.59 1lic s ARG 52 N 1.33 2.62 -0.13 2.79 3.52 0.19 -1.65 118.95 127.63 1lic s ARG 52 Ca 0.03 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 1lic s ARG 52 Cb -0.14 -2.20 -0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1lic s ARG 52 CO -0.11 0.37 -0.19 0.45 -0.81 0.00 0.00 175.30 175.01 1lic s SER 53 N -0.13 3.46 -0.09 -2.12 0.15 -0.18 -0.22 113.70 114.56 1lic s SER 53 Ca -0.04 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.16 1lic s SER 53 Cb -0.14 -1.50 -0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1lic s SER 53 CO 0.04 0.13 -0.24 -1.61 1.20 0.00 0.00 173.24 172.76 1lic s GLU 54 N 0.53 2.92 0.06 5.44 2.02 -0.19 -0.79 118.70 128.68 1lic s GLU 54 Ca -0.12 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 53.87 1lic s GLU 54 Cb -0.16 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.81 1lic s GLU 54 CO 0.04 0.24 0.27 -1.54 0.02 0.00 0.00 175.26 174.29 1lic s SER 55 N 0.20 -0.06 0.46 -0.19 1.04 -1.14 -1.48 113.70 112.53 1lic s SER 55 Ca -0.15 -0.33 0.15 0.00 0.48 0.00 0.00 55.95 56.11 1lic s SER 55 Cb -0.17 0.35 1.11 0.00 0.10 0.00 0.00 66.02 67.41 1lic s SER 55 CO 0.07 -0.65 2.01 0.71 0.98 0.00 0.00 173.24 176.36 1lic h THR 56 N 3.07 0.90 0.07 2.02 1.35 -1.99 -2.97 112.91 115.36 1lic h THR 56 Ca -0.33 -0.10 -0.31 0.00 -0.55 0.00 0.00 66.41 65.12 1lic h THR 56 Cb 1.20 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1lic h THR 56 CO 0.49 0.06 -1.67 -0.26 -0.25 0.00 0.00 175.52 173.89 1lic h PHE 57 N 0.30 0.27 -1.94 4.73 0.04 -1.97 -3.48 116.94 114.89 1lic h PHE 57 Ca 0.23 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1lic h PHE 57 Cb 0.51 -0.01 -0.22 0.00 2.20 0.00 0.00 35.95 38.43 1lic h PHE 57 CO -0.00 1.32 0.11 0.21 -0.60 0.00 0.00 178.31 179.35 1lic s LYS 58 N -2.60 0.72 -0.08 1.51 2.20 -1.12 -5.15 119.74 115.21 1lic s LYS 58 Ca -0.10 1.07 -0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1lic s LYS 58 Cb 0.07 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.60 1lic s LYS 58 CO 0.82 -0.12 -0.06 -0.80 -0.36 0.00 0.00 175.35 174.83 1lic s ASN 59 N 1.09 4.71 0.17 1.43 0.01 -1.26 -2.86 114.94 118.22 1lic s ASN 59 Ca -0.06 -0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.15 1lic s ASN 59 Cb -0.05 -1.30 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 1lic s ASN 59 CO -0.11 0.33 -0.17 0.42 -1.51 0.00 0.00 177.10 176.05 1lic s THR 60 N -0.61 1.80 -0.21 1.60 -4.23 0.03 -4.97 115.64 109.04 1lic s THR 60 Ca 0.09 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 1lic s THR 60 Cb -0.12 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1lic s THR 60 CO 0.02 -0.38 0.51 -0.70 -0.54 0.00 0.00 174.62 173.53 1lic s GLU 61 N -2.97 0.51 -0.02 3.99 2.12 -1.26 -1.01 118.70 120.06 1lic s GLU 61 Ca 0.17 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.45 1lic s GLU 61 Cb -0.05 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.39 1lic s GLU 61 CO 0.07 -0.15 -0.11 0.96 -0.54 0.00 0.00 175.26 175.49 1lic s ILE 62 N 1.38 0.90 -0.06 -3.70 -4.36 -0.66 -5.00 121.20 109.69 1lic s ILE 62 Ca -0.09 -0.46 0.04 0.00 -0.26 0.00 0.00 60.65 59.88 1lic s ILE 62 Cb -0.07 -0.77 0.00 0.00 1.25 0.00 0.00 42.46 42.87 1lic s ILE 62 CO -0.14 0.26 -0.19 -0.44 0.24 0.00 0.00 174.94 174.68 1lic s SER 63 N -0.08 2.43 0.20 4.36 0.01 -1.26 -1.10 113.70 118.26 1lic s SER 63 Ca 0.01 -0.41 -0.17 0.00 1.31 0.00 0.00 55.95 56.68 1lic s SER 63 Cb -0.06 -0.89 0.03 0.00 0.21 0.00 0.00 66.02 65.31 1lic s SER 63 CO 0.00 0.14 0.53 0.72 0.41 0.00 0.00 173.24 175.04 1lic s PHE 64 N 0.23 -0.09 -0.12 2.43 -0.71 -0.28 -4.95 117.98 114.49 1lic s PHE 64 Ca -0.10 -0.25 -0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1lic s PHE 64 Cb -0.14 0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 1lic s PHE 64 CO 0.04 -0.94 -0.03 0.21 -1.34 0.00 0.00 175.22 173.16 1lic s LYS 65 N -3.88 3.30 0.03 1.99 2.20 -1.26 -0.64 119.74 121.49 1lic s LYS 65 Ca 0.10 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 1lic s LYS 65 Cb -0.01 -2.82 -0.08 0.00 -1.51 0.00 0.00 37.83 33.41 1lic s LYS 65 CO -0.02 0.45 1.87 -0.51 -0.36 0.00 0.00 175.35 176.78 1lic s LEU 66 N -0.21 4.41 0.00 5.43 1.43 -1.26 -2.36 118.68 126.12 1lic s LEU 66 Ca 0.04 2.59 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 1lic s LEU 66 Cb -0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1lic s LEU 66 CO 0.02 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.20 1lic n GLY 67 N 4.39 0.21 3.45 -3.19 0.00 -0.24 -4.98 105.19 104.83 1lic n GLY 67 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1lic n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lic s VAL 68 N -2.00 3.99 0.32 1.61 1.01 -0.99 -4.97 120.40 119.36 1lic s VAL 68 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1lic s VAL 68 Cb 0.00 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.47 1lic s VAL 68 CO 0.00 0.42 1.32 -0.70 0.00 0.00 0.00 175.10 176.14 1lic s GLU 69 N 1.05 4.35 0.17 2.72 2.12 -1.26 -4.66 118.70 123.19 1lic s GLU 69 Ca 0.02 2.22 -0.05 0.00 0.36 0.00 0.00 54.97 57.52 1lic s GLU 69 Cb -0.14 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1lic s GLU 69 CO 0.02 -0.22 0.20 -0.59 -0.54 0.00 0.00 175.26 174.12 1lic s PHE 70 N -0.95 0.71 -0.01 5.30 -0.71 0.22 -4.96 117.98 117.57 1lic s PHE 70 Ca 0.50 -1.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.14 1lic s PHE 70 Cb -0.40 -0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.09 1lic s PHE 70 CO 0.51 -0.67 0.61 -0.51 -1.34 0.00 0.00 175.22 173.82 1lic s ASP 71 N -3.04 6.97 -0.00 1.98 1.01 -1.26 -0.49 116.67 121.84 1lic s ASP 71 Ca 0.25 1.16 0.02 0.00 0.71 0.00 0.00 52.55 54.68 1lic s ASP 71 Cb 0.05 -2.37 -0.00 0.00 1.01 0.00 0.00 42.92 41.61 1lic s ASP 71 CO 0.04 0.07 -0.06 -0.70 0.21 0.00 0.00 175.17 174.73 1lic s GLU 72 N -0.05 0.50 -0.29 8.23 2.12 -0.44 -4.93 118.70 123.84 1lic s GLU 72 Ca 0.32 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.38 1lic s GLU 72 Cb -0.18 -0.48 0.02 0.00 0.26 0.00 0.00 34.13 33.75 1lic s GLU 72 CO 0.17 0.13 0.04 0.42 -0.54 0.00 0.00 175.26 175.48 1lic s ILE 73 N -0.14 3.55 0.82 -3.70 1.01 -1.26 -0.68 121.20 120.80 1lic s ILE 73 Ca 0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1lic s ILE 73 Cb -0.02 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.64 1lic s ILE 73 CO -0.00 0.03 1.10 0.42 0.00 0.00 0.00 174.94 176.49 1lic s THR 74 N 1.41 2.96 0.44 2.92 -4.23 -0.31 -4.91 115.64 113.91 1lic s THR 74 Ca 0.00 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 60.94 1lic s THR 74 Cb -0.18 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 70.94 1lic s THR 74 CO 0.00 -0.41 2.04 0.00 -0.54 0.00 0.00 174.62 175.72 1lic h ALA 75 N -1.17 1.91 -0.30 3.99 0.00 -1.97 0.47 119.26 122.18 1lic h ALA 75 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1lic h ALA 75 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1lic h ALA 75 CO 0.59 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 1lic n ASP 76 N -4.48 2.41 -1.72 0.00 5.75 -1.26 -4.93 116.55 112.32 1lic n ASP 76 Ca 0.05 -2.19 -0.12 0.00 -0.01 0.00 0.00 54.79 52.52 1lic n ASP 76 Cb 0.21 -0.39 0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1lic n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1lic n ASP 77 N 0.40 -4.05 -4.87 -1.12 8.00 0.15 -5.03 116.55 110.04 1lic n ASP 77 Ca 0.12 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.12 1lic n ASP 77 Cb 0.46 -2.98 -0.06 0.00 -0.02 0.00 0.00 41.12 38.53 1lic n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1lic s ARG 78 N -5.10 3.68 -0.38 -1.24 0.52 -1.26 -4.86 118.95 110.31 1lic s ARG 78 Ca 0.15 0.10 -0.13 0.00 -0.52 0.00 0.00 55.73 55.33 1lic s ARG 78 Cb -0.07 -3.13 0.02 0.00 0.52 0.00 0.00 34.95 32.29 1lic s ARG 78 CO 0.18 0.67 0.25 0.15 0.02 0.00 0.00 175.30 176.58 1lic s LYS 79 N -1.43 2.99 0.34 3.54 1.02 -1.26 -1.17 119.74 123.76 1lic s LYS 79 Ca 0.25 -0.99 0.07 0.00 0.02 0.00 0.00 55.97 55.32 1lic s LYS 79 Cb -0.14 -3.85 -0.07 0.00 -0.52 0.00 0.00 37.83 33.26 1lic s LYS 79 CO 0.13 -0.68 -0.05 0.14 -0.92 0.00 0.00 175.35 173.97 1lic s VAL 80 N 1.63 1.90 -0.23 3.17 -7.23 0.15 -4.84 120.40 114.95 1lic s VAL 80 Ca 0.04 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.01 1lic s VAL 80 Cb -0.19 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1lic s VAL 80 CO 0.09 -0.17 0.09 -0.54 -0.31 0.00 0.00 175.10 174.25 1lic s LYS 81 N -3.70 3.83 0.16 4.82 -0.14 -0.28 -1.32 119.74 123.11 1lic s LYS 81 Ca 0.33 -0.40 0.11 0.00 -1.36 0.00 0.00 55.97 54.65 1lic s LYS 81 Cb 0.05 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 1lic s LYS 81 CO 0.15 0.00 -0.26 -1.12 -0.76 0.00 0.00 175.35 173.37 1lic s SER 82 N 1.13 3.37 -0.09 2.83 0.01 0.36 -0.96 113.70 120.36 1lic s SER 82 Ca 0.05 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 1lic s SER 82 Cb -0.14 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 65.89 1lic s SER 82 CO 0.04 0.15 0.19 -0.51 0.41 0.00 0.00 173.24 173.52 1lic s ILE 83 N -1.32 -0.11 -0.09 1.44 -1.16 -0.93 -0.61 121.20 118.42 1lic s ILE 83 Ca 0.17 0.20 0.03 0.00 -0.51 0.00 0.00 60.65 60.54 1lic s ILE 83 Cb -0.09 -0.31 0.01 0.00 0.61 0.00 0.00 42.46 42.67 1lic s ILE 83 CO 0.08 0.08 -0.20 -0.63 -2.81 0.00 0.00 174.94 171.46 1lic s ILE 84 N 1.47 1.75 0.26 2.00 1.01 -1.26 -1.49 121.20 124.93 1lic s ILE 84 Ca -0.07 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.83 1lic s ILE 84 Cb -0.11 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1lic s ILE 84 CO -0.07 0.49 -0.09 0.42 0.00 0.00 0.00 174.94 175.69 1lic s THR 85 N 0.53 1.70 -0.36 2.92 -4.23 -0.50 -1.07 115.64 114.63 1lic s THR 85 Ca -0.16 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.10 1lic s THR 85 Cb -0.17 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1lic s THR 85 CO 0.06 -0.40 0.17 -0.22 -0.54 0.00 0.00 174.62 173.69 1lic s LEU 86 N -3.40 4.52 -0.10 4.79 2.96 -1.26 -0.79 118.68 125.41 1lic s LEU 86 Ca 0.27 -0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 53.18 1lic s LEU 86 Cb 0.02 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1lic s LEU 86 CO 0.10 -0.35 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.92 1lic s ASP 87 N 1.51 1.93 -1.55 3.68 1.01 0.01 -4.82 116.67 118.45 1lic s ASP 87 Ca 0.01 -0.23 -0.03 0.00 0.71 0.00 0.00 52.55 53.02 1lic s ASP 87 Cb -0.19 -0.70 0.01 0.00 1.01 0.00 0.00 42.92 43.05 1lic s ASP 87 CO 0.05 -0.13 0.28 0.61 0.21 0.00 0.00 175.17 176.19 1lic n GLY 88 N 4.91 -0.51 2.10 0.21 0.00 -1.26 -1.31 105.19 109.33 1lic n GLY 88 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1lic n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lic n GLY 89 N -1.19 0.74 3.43 -0.02 0.00 -1.26 -5.04 105.19 101.85 1lic n GLY 89 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1lic n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lic s ALA 90 N -2.82 2.52 -0.32 4.61 0.00 -0.43 -4.67 121.76 120.65 1lic s ALA 90 Ca 0.00 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 50.41 1lic s ALA 90 Cb 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 1lic s ALA 90 CO 0.00 0.57 0.63 -0.51 0.00 0.00 0.00 175.76 176.45 1lic s LEU 91 N -1.85 4.18 -0.25 0.00 1.43 -0.37 -0.81 118.68 121.01 1lic s LEU 91 Ca 0.15 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1lic s LEU 91 Cb -0.10 -2.80 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1lic s LEU 91 CO 0.07 -0.52 0.03 -0.69 0.23 0.00 0.00 176.35 175.47 1lic s VAL 92 N 2.64 3.80 -0.11 -1.59 1.01 0.03 -1.04 120.40 125.15 1lic s VAL 92 Ca 0.25 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1lic s VAL 92 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1lic s VAL 92 CO 0.13 0.27 -0.10 -1.58 0.00 0.00 0.00 175.10 173.82 1lic s GLN 93 N 1.52 3.15 -0.12 2.72 0.74 0.22 -1.41 119.66 126.47 1lic s GLN 93 Ca 0.05 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.85 1lic s GLN 93 Cb -0.16 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.33 1lic s GLN 93 CO 0.00 0.38 -0.22 0.08 -0.55 0.00 0.00 175.29 174.98 1lic s VAL 94 N -0.07 2.02 -0.13 1.34 1.01 -0.56 -0.34 120.40 123.67 1lic s VAL 94 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 1lic s VAL 94 Cb -0.14 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1lic s VAL 94 CO 0.03 0.54 -0.08 -1.10 0.00 0.00 0.00 175.10 174.50 1lic s GLN 95 N 0.65 3.36 -0.04 2.72 -0.21 -0.37 -2.19 119.66 123.58 1lic s GLN 95 Ca -0.11 -0.59 0.05 0.00 0.02 0.00 0.00 55.36 54.72 1lic s GLN 95 Cb -0.16 -2.73 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 1lic s GLN 95 CO 0.02 0.32 -0.19 0.15 -2.12 0.00 0.00 175.29 173.47 1lic s LYS 96 N 0.11 1.92 -0.28 2.91 1.02 -0.14 -1.70 119.74 123.58 1lic s LYS 96 Ca -0.03 -0.68 -0.22 0.00 0.02 0.00 0.00 55.97 55.06 1lic s LYS 96 Cb -0.14 -1.68 0.10 0.00 -0.52 0.00 0.00 37.83 35.59 1lic s LYS 96 CO 0.04 0.29 0.85 1.67 -0.92 0.00 0.00 175.35 177.28 1lic s TRP 97 N -0.06 -0.72 -1.62 3.18 -2.14 -0.66 -1.12 118.94 115.80 1lic s TRP 97 Ca -0.02 1.62 -0.16 0.00 2.66 0.00 0.00 56.10 60.20 1lic s TRP 97 Cb -0.12 0.39 0.12 0.00 -3.10 0.00 0.00 33.47 30.76 1lic s TRP 97 CO 0.02 -0.35 0.84 -0.25 -2.66 0.00 0.00 176.95 174.55 1lic n ASP 98 N 3.04 -3.69 0.00 -2.66 8.00 -1.26 -0.74 116.55 119.25 1lic n ASP 98 Ca -0.15 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1lic n ASP 98 Cb 0.56 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1lic n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lic n GLY 99 N -1.54 0.71 3.74 0.44 0.00 -1.26 -5.01 105.19 102.27 1lic n GLY 99 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1lic n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lic s LYS 100 N -0.19 2.32 0.05 1.61 1.02 0.08 -5.15 119.74 119.49 1lic s LYS 100 Ca 0.00 -1.64 -0.19 0.00 0.02 0.00 0.00 55.97 54.16 1lic s LYS 100 Cb 0.00 -2.12 0.04 0.00 -0.52 0.00 0.00 37.83 35.23 1lic s LYS 100 CO 0.00 0.03 0.43 -1.54 -0.92 0.00 0.00 175.35 173.34 1lic s SER 101 N -3.88 -0.31 0.01 2.83 1.04 -1.26 -1.65 113.70 110.49 1lic s SER 101 Ca 0.39 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 1lic s SER 101 Cb -0.01 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1lic s SER 101 CO 0.23 -0.68 0.16 0.28 0.98 0.00 0.00 173.24 174.21 1lic s THR 102 N -2.52 0.08 -0.06 2.02 -1.32 -0.69 -4.75 115.64 108.41 1lic s THR 102 Ca -0.05 -0.70 0.04 0.00 -1.21 0.00 0.00 61.69 59.77 1lic s THR 102 Cb -0.01 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.45 1lic s THR 102 CO -0.03 -0.39 -0.18 -0.89 -2.21 0.00 0.00 174.62 170.93 1lic s THR 103 N -1.53 2.69 -0.17 5.08 2.01 -1.00 -1.24 115.64 121.48 1lic s THR 103 Ca -0.14 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1lic s THR 103 Cb -0.07 -2.04 0.04 0.00 0.01 0.00 0.00 72.50 70.44 1lic s THR 103 CO 0.01 0.57 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.80 1lic s ILE 104 N -0.36 1.38 -0.15 1.82 1.01 0.54 -0.92 121.20 124.52 1lic s ILE 104 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 1lic s ILE 104 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 1lic s ILE 104 CO 0.02 0.21 -0.03 -0.54 0.00 0.00 0.00 174.94 174.60 1lic s LYS 105 N 1.53 3.62 -0.20 2.79 1.02 0.16 -0.61 119.74 128.04 1lic s LYS 105 Ca 0.01 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.48 1lic s LYS 105 Cb -0.15 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1lic s LYS 105 CO -0.08 0.29 -0.12 1.03 -0.92 0.00 0.00 175.35 175.54 1lic s ARG 106 N 0.24 3.20 0.06 1.68 0.52 -0.20 -0.89 118.95 123.56 1lic s ARG 106 Ca -0.02 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1lic s ARG 106 Cb -0.14 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1lic s ARG 106 CO 0.03 -0.18 -0.01 -1.59 0.02 0.00 0.00 175.30 173.57 1lic s LYS 107 N 1.32 0.64 0.03 3.54 -2.85 -0.03 -1.24 119.74 121.15 1lic s LYS 107 Ca 0.04 -1.21 -0.17 0.00 -1.00 0.00 0.00 55.97 53.63 1lic s LYS 107 Cb -0.14 0.22 -0.06 0.00 -2.06 0.00 0.00 37.83 35.79 1lic s LYS 107 CO -0.07 -0.13 0.49 1.03 0.10 0.00 0.00 175.35 176.77 1lic s ARG 108 N -3.92 4.08 -0.27 1.78 1.81 -1.26 -0.13 118.95 121.03 1lic s ARG 108 Ca 0.07 0.58 -0.04 0.00 -1.72 0.00 0.00 55.73 54.62 1lic s ARG 108 Cb 0.08 -3.24 0.09 0.00 -0.45 0.00 0.00 34.95 31.43 1lic s ARG 108 CO -0.10 0.64 0.13 0.34 -0.68 0.00 0.00 175.30 175.63 1lic s ASP 109 N -1.00 3.29 1.71 0.23 -1.08 -0.51 -4.90 116.67 114.41 1lic s ASP 109 Ca 0.26 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.14 1lic s ASP 109 Cb -0.18 -0.31 0.00 0.00 -1.46 0.00 0.00 42.92 40.97 1lic s ASP 109 CO 0.16 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 176.04 1lic n GLY 110 N 5.26 3.45 1.20 2.66 0.00 -1.26 -1.20 105.19 115.29 1lic n GLY 110 Ca -0.06 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1lic n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1lic n ASP 111 N 7.99 3.58 -4.91 1.61 5.75 -1.26 -4.97 116.55 124.34 1lic n ASP 111 Ca 0.00 -1.99 -0.20 0.00 -0.01 0.00 0.00 54.79 52.59 1lic n ASP 111 Cb 0.00 -0.30 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1lic n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1lic s LYS 112 N -1.37 2.77 -0.15 0.11 -0.14 -0.34 -4.54 119.74 116.08 1lic s LYS 112 Ca 0.41 -1.29 0.02 0.00 -1.36 0.00 0.00 55.97 53.75 1lic s LYS 112 Cb 0.23 -2.57 0.01 0.00 -1.68 0.00 0.00 37.83 33.83 1lic s LYS 112 CO 0.32 -0.05 -0.22 -1.17 -0.76 0.00 0.00 175.35 173.47 1lic s LEU 113 N -4.13 2.10 -0.11 3.17 0.20 -0.57 -1.43 118.68 117.91 1lic s LEU 113 Ca 0.46 -0.61 -0.01 0.00 0.69 0.00 0.00 54.13 54.67 1lic s LEU 113 Cb -0.07 -1.44 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1lic s LEU 113 CO 0.29 0.07 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.64 1lic s VAL 114 N 0.89 3.48 -0.18 1.68 1.01 0.81 -0.54 120.40 127.55 1lic s VAL 114 Ca -0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1lic s VAL 114 Cb -0.15 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1lic s VAL 114 CO -0.04 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 1lic s VAL 115 N -0.04 2.76 0.48 2.92 1.01 0.13 -0.85 120.40 126.82 1lic s VAL 115 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1lic s VAL 115 Cb -0.14 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1lic s VAL 115 CO 0.03 0.49 0.10 1.21 0.00 0.00 0.00 175.10 176.94 1lic n GLU 116 N 4.36 0.82 -3.65 2.72 2.13 -0.07 -0.64 120.64 126.31 1lic n GLU 116 Ca -0.19 -3.39 0.03 0.00 0.66 0.00 0.00 57.16 54.27 1lic n GLU 116 Cb 0.51 0.77 -0.06 0.00 0.27 0.00 0.00 31.44 32.93 1lic n GLU 116 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1lic s VAL 118 N -2.66 0.00 -0.19 6.31 1.01 -0.09 -0.67 120.40 124.11 1lic s VAL 118 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1lic s VAL 118 Cb -0.01 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1lic s VAL 118 CO 0.05 0.00 0.18 -0.32 0.00 0.00 0.00 175.10 175.01 1lic s MET 119 N 0.97 0.15 -1.33 2.72 1.75 -0.22 -2.37 119.30 120.96 1lic s MET 119 Ca -0.07 0.15 -0.06 0.00 -1.25 0.00 0.00 55.69 54.46 1lic s MET 119 Cb -0.02 -1.33 -0.00 0.00 2.84 0.00 0.00 34.83 36.32 1lic s MET 119 CO -0.09 -0.64 0.53 1.63 -0.65 0.00 0.00 175.02 175.79 1lic n LYS 120 N 5.31 -2.87 0.00 4.11 5.02 -1.26 -1.27 118.16 127.19 1lic n LYS 120 Ca -0.06 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1lic n LYS 120 Cb 0.49 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.07 1lic n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lic n GLY 121 N -1.89 2.88 3.69 0.72 0.00 -1.26 -4.99 105.19 104.33 1lic n GLY 121 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1lic n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lic s VAL 122 N -1.24 4.84 -0.09 1.61 1.01 -0.40 -5.04 120.40 121.09 1lic s VAL 122 Ca 0.00 1.89 0.04 0.00 0.00 0.00 0.00 61.98 63.92 1lic s VAL 122 Cb 0.00 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1lic s VAL 122 CO 0.00 0.04 -0.24 0.42 0.00 0.00 0.00 175.10 175.33 1lic s THR 123 N 1.87 2.00 0.00 3.92 -4.23 -1.26 -1.06 115.64 116.88 1lic s THR 123 Ca 0.45 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.02 1lic s THR 123 Cb -0.18 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 1lic s THR 123 CO 0.17 0.55 -0.16 -0.55 -0.54 0.00 0.00 174.62 174.09 1lic s SER 124 N 0.22 3.93 -0.10 3.99 0.15 -1.26 -4.74 113.70 115.89 1lic s SER 124 Ca -0.14 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1lic s SER 124 Cb -0.17 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.43 1lic s SER 124 CO 0.07 0.30 -0.12 -0.89 1.20 0.00 0.00 173.24 173.80 1lic s THR 125 N -0.84 1.26 -0.11 6.45 2.01 -0.73 -4.24 115.64 119.44 1lic s THR 125 Ca 0.14 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1lic s THR 125 Cb -0.11 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.22 1lic s THR 125 CO 0.03 0.40 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.04 1lic s ARG 126 N 1.14 2.55 -0.13 4.92 0.52 0.18 -1.03 118.95 127.10 1lic s ARG 126 Ca -0.05 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1lic s ARG 126 Cb -0.14 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1lic s ARG 126 CO -0.03 0.02 0.02 0.08 0.02 0.00 0.00 175.30 175.41 1lic s VAL 127 N 0.74 4.44 0.13 3.52 1.01 -0.28 -0.69 120.40 129.26 1lic s VAL 127 Ca -0.11 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1lic s VAL 127 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1lic s VAL 127 CO 0.02 0.54 -0.24 -0.31 0.00 0.00 0.00 175.10 175.11 1lic s TYR 128 N -0.26 2.09 0.18 5.22 1.51 0.29 -0.10 117.35 126.29 1lic s TYR 128 Ca 0.07 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1lic s TYR 128 Cb -0.12 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 1lic s TYR 128 CO 0.02 0.31 -0.15 -1.83 -1.11 0.00 0.00 175.55 172.79 1lic s GLU 129 N -2.14 1.25 0.33 -0.62 -1.05 -0.52 -1.52 118.70 114.43 1lic s GLU 129 Ca 0.12 -1.47 -0.29 0.00 -0.15 0.00 0.00 54.97 53.18 1lic s GLU 129 Cb -0.09 -1.12 -0.11 0.00 -0.44 0.00 0.00 34.13 32.37 1lic s GLU 129 CO 0.06 0.20 1.49 1.03 0.95 0.00 0.00 175.26 178.99 1lic s ARG 130 N -3.24 4.17 0.00 -4.83 0.52 -1.26 -0.43 118.95 113.87 1lic s ARG 130 Ca 0.18 2.49 0.32 0.00 -0.52 0.00 0.00 55.73 58.20 1lic s ARG 130 Cb -0.03 -3.02 1.85 0.00 0.52 0.00 0.00 34.95 34.27 1lic s ARG 130 CO 0.06 -0.51 2.19 0.00 0.02 0.00 0.00 175.30 177.06