#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab0 h ASP 2 N 0.00 0.00 0.77 1.61 3.58 -2.01 -3.03 116.42 117.34 1ab0 h ASP 2 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ab0 h ASP 2 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ab0 h ASP 2 CO 0.00 0.19 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 1ab0 n ALA 3 N -2.44 1.81 0.60 -0.78 0.00 -1.26 -3.24 120.51 115.19 1ab0 n ALA 3 Ca -0.02 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1ab0 n ALA 3 Cb 0.26 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.30 1ab0 n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ab0 n PHE 4 N -1.91 0.10 -1.74 0.00 3.72 -1.14 -4.97 117.46 111.53 1ab0 n PHE 4 Ca 0.04 0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1ab0 n PHE 4 Cb 0.24 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.48 1ab0 n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ab0 n VAL 5 N -1.86 1.25 0.00 -4.37 0.31 -1.20 -4.58 118.33 107.89 1ab0 n VAL 5 Ca 0.01 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1ab0 n VAL 5 Cb 0.43 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1ab0 n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ab0 n GLY 6 N 1.77 1.79 3.56 2.92 0.00 0.32 -4.95 105.19 110.60 1ab0 n GLY 6 Ca 0.07 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1ab0 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ab0 s THR 7 N -1.38 4.82 -0.01 2.61 2.01 -1.26 -1.05 115.64 121.38 1ab0 s THR 7 Ca 0.00 -0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.05 1ab0 s THR 7 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1ab0 s THR 7 CO 0.00 0.36 -0.18 0.26 -0.69 0.00 0.00 174.62 174.37 1ab0 s TRP 8 N 1.21 2.58 -0.06 4.92 0.52 0.17 -0.87 118.94 127.41 1ab0 s TRP 8 Ca 0.06 -0.24 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1ab0 s TRP 8 Cb -0.14 -1.54 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1ab0 s TRP 8 CO 0.04 0.17 -0.25 0.21 0.02 0.00 0.00 176.95 177.15 1ab0 s LYS 9 N -0.99 2.60 -0.00 4.98 2.47 0.11 -0.85 119.74 128.06 1ab0 s LYS 9 Ca 0.12 -0.90 -0.30 0.00 -1.56 0.00 0.00 55.97 53.34 1ab0 s LYS 9 Cb -0.10 -2.17 -0.07 0.00 -1.46 0.00 0.00 37.83 34.03 1ab0 s LYS 9 CO 0.02 0.35 1.63 -1.17 0.16 0.00 0.00 175.35 176.34 1ab0 s LEU 10 N -0.10 4.34 0.00 5.43 2.96 -1.23 -1.11 118.68 128.97 1ab0 s LEU 10 Ca -0.06 2.31 0.02 0.00 -0.22 0.00 0.00 54.13 56.19 1ab0 s LEU 10 Cb -0.14 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1ab0 s LEU 10 CO 0.04 -0.89 0.35 1.33 -1.32 0.00 0.00 176.35 175.86 1ab0 n VAL 11 N 5.12 0.00 -3.60 1.68 0.24 -0.15 -4.94 118.33 116.68 1ab0 n VAL 11 Ca 0.16 -0.48 -0.11 0.00 -2.04 0.00 0.00 64.34 61.87 1ab0 n VAL 11 Cb 0.42 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 1ab0 n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ab0 s SER 12 N -0.61 -0.46 -0.22 -1.34 0.15 -1.05 -4.97 113.70 105.20 1ab0 s SER 12 Ca 0.02 0.69 -0.18 0.00 0.70 0.00 0.00 55.95 57.18 1ab0 s SER 12 Cb 0.02 0.63 0.06 0.00 -1.71 0.00 0.00 66.02 65.01 1ab0 s SER 12 CO 0.05 -0.29 0.56 -0.55 1.20 0.00 0.00 173.24 174.21 1ab0 s SER 13 N -0.50 -0.64 -0.04 5.45 0.15 -1.26 -0.83 113.70 116.03 1ab0 s SER 13 Ca -0.01 1.17 -0.04 0.00 0.70 0.00 0.00 55.95 57.77 1ab0 s SER 13 Cb -0.02 1.14 0.01 0.00 -1.71 0.00 0.00 66.02 65.43 1ab0 s SER 13 CO -0.00 -0.20 0.11 -1.83 1.20 0.00 0.00 173.24 172.51 1ab0 s GLU 14 N 0.69 0.13 -2.07 5.44 -1.05 -0.39 -4.88 118.70 116.58 1ab0 s GLU 14 Ca -0.03 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 1ab0 s GLU 14 Cb -0.05 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1ab0 s GLU 14 CO -0.05 -0.02 0.00 0.09 0.95 0.00 0.00 175.26 176.24 1ab0 n ASN 15 N 3.01 -5.36 -0.11 0.83 3.02 -1.26 -2.04 115.26 113.35 1ab0 n ASN 15 Ca -0.12 0.47 -0.12 0.00 -0.03 0.00 0.00 54.58 54.77 1ab0 n ASN 15 Cb 0.59 -4.58 -0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1ab0 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ab0 h PHE 16 N 0.00 1.07 -0.64 3.10 3.57 -1.89 -1.11 116.94 121.04 1ab0 h PHE 16 Ca -0.40 -0.31 -0.06 0.00 3.53 0.00 0.00 57.97 60.72 1ab0 h PHE 16 Cb 1.28 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 1ab0 h PHE 16 CO 0.55 1.13 0.15 -0.44 -2.23 0.00 0.00 178.31 177.47 1ab0 h ASP 17 N 0.74 0.97 -0.31 0.41 3.32 -1.94 -0.97 116.42 118.64 1ab0 h ASP 17 Ca 0.06 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1ab0 h ASP 17 Cb 0.95 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1ab0 h ASP 17 CO 0.09 0.96 -0.05 0.44 -1.72 0.00 0.00 179.24 178.95 1ab0 h ASP 18 N 0.95 0.67 -0.16 6.45 3.32 -1.93 -1.72 116.42 124.00 1ab0 h ASP 18 Ca 0.20 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1ab0 h ASP 18 Cb 0.36 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1ab0 h ASP 18 CO 0.00 0.78 -0.01 0.22 -1.72 0.00 0.00 179.24 178.51 1ab0 h TYR 19 N 0.65 0.32 -0.66 4.55 3.20 -0.83 -1.69 116.97 122.51 1ab0 h TYR 19 Ca 0.12 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1ab0 h TYR 19 Cb 0.48 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1ab0 h TYR 19 CO 0.02 0.52 0.27 0.52 -1.64 0.00 0.00 178.16 177.85 1ab0 h MET 20 N 0.02 0.97 -0.60 1.82 2.86 -1.03 -1.33 114.93 117.64 1ab0 h MET 20 Ca 0.04 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1ab0 h MET 20 Cb 0.40 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1ab0 h MET 20 CO 0.01 0.78 0.30 -0.22 1.06 0.00 0.00 176.91 178.84 1ab0 h LYS 21 N 0.95 0.85 -0.47 1.72 3.64 -1.23 0.16 116.57 122.19 1ab0 h LYS 21 Ca 0.22 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ab0 h LYS 21 Cb 0.18 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1ab0 h LYS 21 CO -0.02 0.68 0.25 1.49 -2.27 0.00 0.00 179.45 179.58 1ab0 h GLU 22 N 0.81 0.66 0.00 1.90 4.57 -0.70 -1.80 114.58 120.03 1ab0 h GLU 22 Ca 0.21 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1ab0 h GLU 22 Cb 0.10 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1ab0 h GLU 22 CO -0.03 0.53 -0.08 -0.39 -1.18 0.00 0.00 179.01 177.85 1ab0 h VAL 23 N 0.62 0.26 0.00 0.32 -1.51 -1.03 -3.47 116.25 111.45 1ab0 h VAL 23 Ca 0.17 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1ab0 h VAL 23 Cb 0.06 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1ab0 h VAL 23 CO -0.03 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 1ab0 n GLY 24 N -0.17 1.62 3.70 5.19 0.00 -0.61 -5.10 105.19 109.83 1ab0 n GLY 24 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1ab0 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab0 s VAL 25 N -2.00 4.47 0.65 1.61 1.01 0.45 -5.00 120.40 121.60 1ab0 s VAL 25 Ca 0.00 1.77 -0.18 0.00 0.00 0.00 0.00 61.98 63.57 1ab0 s VAL 25 Cb 0.00 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1ab0 s VAL 25 CO 0.00 0.07 1.28 0.61 0.00 0.00 0.00 175.10 177.06 1ab0 n GLY 26 N 3.15 0.52 0.29 4.51 0.00 -1.26 -4.50 105.19 107.91 1ab0 n GLY 26 Ca 0.09 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1ab0 n GLY 26 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ab0 h PHE 27 N 0.53 0.34 0.12 1.61 3.57 -1.96 0.51 116.94 121.66 1ab0 h PHE 27 Ca -0.51 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1ab0 h PHE 27 Cb 1.34 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1ab0 h PHE 27 CO 0.41 -0.14 -0.06 0.00 -2.23 0.00 0.00 178.31 176.29 1ab0 h ALA 28 N 1.70 -0.16 -0.54 2.41 0.00 -1.99 0.16 119.26 120.84 1ab0 h ALA 28 Ca 0.49 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ab0 h ALA 28 Cb 0.93 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1ab0 h ALA 28 CO -0.58 -0.52 0.09 1.15 0.00 0.00 0.00 179.25 179.39 1ab0 h THR 29 N -0.30 1.25 0.00 0.00 2.02 -1.75 -2.20 112.91 111.92 1ab0 h THR 29 Ca -0.02 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1ab0 h THR 29 Cb 0.25 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ab0 h THR 29 CO 0.03 0.34 -0.11 -0.09 0.37 0.00 0.00 175.52 176.06 1ab0 h ARG 30 N 0.78 0.00 -0.03 6.66 2.43 0.10 -1.50 114.38 122.82 1ab0 h ARG 30 Ca 0.16 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1ab0 h ARG 30 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ab0 h ARG 30 CO 0.01 0.11 -0.15 -0.22 -1.51 0.00 0.00 179.97 178.21 1ab0 h LYS 31 N 0.00 0.15 -0.31 0.20 1.63 -0.08 -2.68 116.57 115.48 1ab0 h LYS 31 Ca -0.00 -0.13 -0.18 0.00 -0.85 0.00 0.00 60.65 59.49 1ab0 h LYS 31 Cb 0.25 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1ab0 h LYS 31 CO 0.01 0.79 -0.50 -0.44 -3.45 0.00 0.00 179.45 175.86 1ab0 h ASP 32 N -0.45 0.99 0.22 4.20 3.32 -1.22 -1.21 116.42 122.27 1ab0 h ASP 32 Ca -0.01 -0.52 -0.06 0.00 0.02 0.00 0.00 57.03 56.46 1ab0 h ASP 32 Cb 0.82 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1ab0 h ASP 32 CO 0.03 1.31 -0.25 0.00 -1.72 0.00 0.00 179.24 178.61 1ab0 h ALA 33 N 0.70 1.52 0.13 3.45 0.00 -1.40 -3.03 119.26 120.63 1ab0 h ALA 33 Ca 0.03 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1ab0 h ALA 33 Cb 1.11 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ab0 h ALA 33 CO 0.12 0.36 -0.96 0.78 0.00 0.00 0.00 179.25 179.54 1ab0 h GLY 34 N 0.83 0.47 -4.79 0.00 0.00 -1.37 -3.36 103.07 94.86 1ab0 h GLY 34 Ca 0.01 -1.09 -0.46 0.00 0.00 0.00 0.00 47.33 45.79 1ab0 h GLY 34 CO 0.03 0.95 2.33 1.03 0.00 0.00 0.00 176.54 180.89 1ab0 n MET 35 N -4.02 2.82 -3.64 4.80 2.00 -0.47 -4.72 117.12 113.89 1ab0 n MET 35 Ca -0.14 -1.66 -0.07 0.00 0.00 0.00 0.00 57.70 55.84 1ab0 n MET 35 Cb 0.87 -2.47 -0.07 0.00 0.00 0.00 0.00 33.22 31.56 1ab0 n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ab0 s ALA 36 N 2.07 -2.07 -0.69 3.04 0.00 -1.26 -4.95 121.76 117.91 1ab0 s ALA 36 Ca 0.62 1.79 -0.04 0.00 0.00 0.00 0.00 51.96 54.33 1ab0 s ALA 36 Cb 0.20 -1.53 0.18 0.00 0.00 0.00 0.00 23.12 21.97 1ab0 s ALA 36 CO -0.04 -0.19 0.53 0.15 0.00 0.00 0.00 175.76 176.21 1ab0 s LYS 37 N 0.04 2.78 1.03 0.00 1.02 -1.26 -5.02 119.74 118.33 1ab0 s LYS 37 Ca 0.05 -2.67 -0.18 0.00 0.02 0.00 0.00 55.97 53.19 1ab0 s LYS 37 Cb -0.05 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.44 1ab0 s LYS 37 CO -0.09 -1.20 -0.19 -2.30 -0.92 0.00 0.00 175.35 170.64 1ab0 n PRO 38 N 3.30 -0.68 -4.06 -1.68 -0.02 -1.26 -4.75 135.00 125.85 1ab0 n PRO 38 Ca 0.11 -0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.10 1ab0 n PRO 38 Cb 0.38 -1.55 -0.16 0.00 -0.02 0.00 0.00 33.50 32.15 1ab0 n PRO 38 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1ab0 s ASN 39 N -1.66 2.88 -0.29 2.55 2.47 0.51 -3.47 114.94 117.94 1ab0 s ASN 39 Ca 0.51 -0.56 -0.09 0.00 0.42 0.00 0.00 52.86 53.14 1ab0 s ASN 39 Cb -0.13 -1.30 -0.02 0.00 -1.45 0.00 0.00 41.25 38.35 1ab0 s ASN 39 CO 0.69 -0.03 0.13 -0.32 -3.72 0.00 0.00 177.10 173.85 1ab0 s MET 40 N 1.40 3.50 -0.23 0.43 -2.45 -0.03 -0.44 119.30 121.49 1ab0 s MET 40 Ca 0.05 -0.60 -0.04 0.00 -1.25 0.00 0.00 55.69 53.85 1ab0 s MET 40 Cb -0.13 -3.50 -0.00 0.00 1.25 0.00 0.00 34.83 32.45 1ab0 s MET 40 CO -0.12 -0.32 -0.03 0.42 1.05 0.00 0.00 175.02 176.02 1ab0 s ILE 41 N 1.63 3.39 -0.12 10.11 1.01 0.53 0.43 121.20 138.18 1ab0 s ILE 41 Ca 0.05 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1ab0 s ILE 41 Cb -0.16 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1ab0 s ILE 41 CO 0.06 0.36 -0.17 -0.63 0.00 0.00 0.00 174.94 174.56 1ab0 s ILE 42 N 1.47 2.67 0.03 2.92 1.01 -0.21 -0.64 121.20 128.43 1ab0 s ILE 42 Ca 0.05 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1ab0 s ILE 42 Cb -0.15 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 1ab0 s ILE 42 CO -0.03 0.53 0.10 -0.94 0.00 0.00 0.00 174.94 174.60 1ab0 s SER 43 N 0.41 0.14 -0.09 3.58 1.04 -0.68 -0.52 113.70 117.59 1ab0 s SER 43 Ca -0.13 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1ab0 s SER 43 Cb -0.17 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1ab0 s SER 43 CO 0.06 -0.45 -0.11 0.68 0.98 0.00 0.00 173.24 174.40 1ab0 s VAL 44 N -2.14 1.13 -0.37 5.02 -7.23 -1.26 -0.78 120.40 114.77 1ab0 s VAL 44 Ca -0.09 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 1ab0 s VAL 44 Cb -0.04 -1.08 0.11 0.00 0.56 0.00 0.00 36.38 35.93 1ab0 s VAL 44 CO -0.02 0.37 0.10 0.20 -0.31 0.00 0.00 175.10 175.44 1ab0 s ASN 45 N 1.13 4.49 1.16 4.85 0.01 -0.11 -4.99 114.94 121.48 1ab0 s ASN 45 Ca -0.06 -2.22 0.00 0.00 -0.71 0.00 0.00 52.86 49.87 1ab0 s ASN 45 Cb -0.14 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.07 1ab0 s ASN 45 CO -0.02 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 1ab0 n GLY 46 N 4.15 1.65 1.20 0.66 0.00 -1.26 -2.52 105.19 109.06 1ab0 n GLY 46 Ca 0.03 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1ab0 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ab0 n ASP 47 N 7.79 3.53 -4.68 1.61 5.75 -1.26 -4.90 116.55 124.39 1ab0 n ASP 47 Ca 0.00 -1.99 -0.36 0.00 -0.01 0.00 0.00 54.79 52.44 1ab0 n ASP 47 Cb 0.00 -0.33 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 1ab0 n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ab0 s LEU 48 N -1.30 4.12 -0.16 -2.12 2.96 -1.05 -4.41 118.68 116.72 1ab0 s LEU 48 Ca 0.42 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.44 1ab0 s LEU 48 Cb 0.23 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1ab0 s LEU 48 CO 0.32 0.12 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.75 1ab0 s VAL 49 N 0.72 3.93 -0.12 1.68 1.01 0.19 -0.93 120.40 126.88 1ab0 s VAL 49 Ca 0.07 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1ab0 s VAL 49 Cb -0.12 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ab0 s VAL 49 CO 0.01 0.49 -0.21 -0.89 0.00 0.00 0.00 175.10 174.50 1ab0 s THR 50 N 0.43 2.33 -0.15 3.92 2.01 0.04 -0.77 115.64 123.44 1ab0 s THR 50 Ca -0.03 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1ab0 s THR 50 Cb -0.14 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1ab0 s THR 50 CO 0.03 0.55 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.69 1ab0 s ILE 51 N 0.44 1.85 -0.07 1.82 1.01 0.09 -1.68 121.20 124.65 1ab0 s ILE 51 Ca -0.15 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1ab0 s ILE 51 Cb -0.17 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.62 1ab0 s ILE 51 CO 0.06 0.51 -0.20 -0.60 0.00 0.00 0.00 174.94 174.71 1ab0 s ARG 52 N 1.17 2.38 -0.24 2.79 3.52 0.18 -0.92 118.95 127.82 1ab0 s ARG 52 Ca -0.00 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 54.83 1ab0 s ARG 52 Cb -0.14 -1.91 -0.01 0.00 -1.56 0.00 0.00 34.95 31.34 1ab0 s ARG 52 CO -0.08 0.19 0.01 -1.12 -0.81 0.00 0.00 175.30 173.49 1ab0 s SER 53 N 0.26 4.66 -0.01 -2.12 0.01 0.91 -0.34 113.70 117.07 1ab0 s SER 53 Ca -0.12 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 56.78 1ab0 s SER 53 Cb -0.15 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 1ab0 s SER 53 CO 0.05 -0.06 -0.21 -1.61 0.41 0.00 0.00 173.24 171.83 1ab0 s GLU 54 N 1.51 2.18 0.29 12.44 2.02 0.42 -1.57 118.70 135.98 1ab0 s GLU 54 Ca 0.05 -0.90 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 1ab0 s GLU 54 Cb -0.15 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1ab0 s GLU 54 CO -0.01 0.57 0.51 -1.54 0.02 0.00 0.00 175.26 174.81 1ab0 s SER 55 N -0.93 0.19 0.00 -0.19 1.04 -1.20 -0.36 113.70 112.25 1ab0 s SER 55 Ca 0.12 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.45 1ab0 s SER 55 Cb -0.10 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1ab0 s SER 55 CO 0.01 -1.24 0.66 0.35 0.98 0.00 0.00 173.24 174.00 1ab0 n THR 56 N -0.45 0.00 0.00 2.02 -2.24 -1.26 -4.13 114.28 108.22 1ab0 n THR 56 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1ab0 n THR 56 Cb 0.62 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1ab0 n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ab0 n HIS 57 N -0.52 -0.29 -4.05 4.78 1.44 -1.26 -5.10 115.22 110.21 1ab0 n HIS 57 Ca 0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.38 1ab0 n HIS 57 Cb 0.00 0.09 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 1ab0 n HIS 57 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1ab0 s LYS 58 N -1.18 3.01 -0.08 -1.40 2.47 -1.26 -5.11 119.74 116.20 1ab0 s LYS 58 Ca 0.00 -0.83 0.03 0.00 -1.56 0.00 0.00 55.97 53.60 1ab0 s LYS 58 Cb 0.00 -2.74 -0.02 0.00 -1.46 0.00 0.00 37.83 33.61 1ab0 s LYS 58 CO 0.00 -0.25 -0.15 -0.80 0.16 0.00 0.00 175.35 174.30 1ab0 s ASN 59 N 1.33 3.90 -0.03 1.43 0.02 -1.26 -3.25 114.94 117.08 1ab0 s ASN 59 Ca 0.04 -0.28 -0.08 0.00 -1.02 0.00 0.00 52.86 51.52 1ab0 s ASN 59 Cb -0.14 -1.09 0.01 0.00 0.02 0.00 0.00 41.25 40.05 1ab0 s ASN 59 CO -0.09 0.27 0.18 0.42 0.02 0.00 0.00 177.10 177.90 1ab0 s THR 60 N -0.30 0.05 -0.12 1.60 -4.23 -0.61 -5.01 115.64 107.01 1ab0 s THR 60 Ca 0.02 -0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 60.01 1ab0 s THR 60 Cb -0.13 -0.40 0.03 0.00 1.34 0.00 0.00 72.50 73.35 1ab0 s THR 60 CO 0.03 -0.23 0.32 -1.83 -0.54 0.00 0.00 174.62 172.38 1ab0 s GLU 61 N -0.82 0.37 -0.04 3.99 -1.05 -1.26 -0.06 118.70 119.82 1ab0 s GLU 61 Ca -0.09 0.47 0.05 0.00 -0.15 0.00 0.00 54.97 55.25 1ab0 s GLU 61 Cb -0.05 0.16 -0.01 0.00 -0.44 0.00 0.00 34.13 33.79 1ab0 s GLU 61 CO 0.01 -0.06 -0.20 0.96 0.95 0.00 0.00 175.26 176.93 1ab0 s ILE 62 N 0.30 1.60 -0.08 1.83 -4.36 -0.10 -4.98 121.20 115.41 1ab0 s ILE 62 Ca -0.01 -0.83 0.05 0.00 -0.26 0.00 0.00 60.65 59.60 1ab0 s ILE 62 Cb -0.03 -1.36 -0.01 0.00 1.25 0.00 0.00 42.46 42.32 1ab0 s ILE 62 CO -0.01 0.45 -0.24 -0.44 0.24 0.00 0.00 174.94 174.95 1ab0 s SER 63 N -0.13 3.12 0.31 4.36 0.01 -1.26 -0.74 113.70 119.37 1ab0 s SER 63 Ca -0.01 -0.52 -0.18 0.00 1.31 0.00 0.00 55.95 56.55 1ab0 s SER 63 Cb -0.11 -1.11 0.03 0.00 0.21 0.00 0.00 66.02 65.04 1ab0 s SER 63 CO 0.02 0.21 0.70 0.72 0.41 0.00 0.00 173.24 175.29 1ab0 s PHE 64 N 0.06 0.03 0.03 2.43 -0.71 0.05 -4.97 117.98 114.89 1ab0 s PHE 64 Ca -0.10 -0.53 0.09 0.00 -1.04 0.00 0.00 56.93 55.35 1ab0 s PHE 64 Cb -0.16 0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 1ab0 s PHE 64 CO 0.06 -1.30 -0.25 0.15 -1.34 0.00 0.00 175.22 172.54 1ab0 s LYS 65 N -3.43 1.93 0.34 1.99 1.02 -1.26 0.54 119.74 120.86 1ab0 s LYS 65 Ca 0.15 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 1ab0 s LYS 65 Cb -0.05 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 35.12 1ab0 s LYS 65 CO 0.09 0.53 1.46 1.28 -0.92 0.00 0.00 175.35 177.79 1ab0 n LEU 66 N 1.93 4.29 0.00 3.17 4.32 -1.26 -2.54 117.00 126.91 1ab0 n LEU 66 Ca -0.17 1.20 0.00 0.00 -0.02 0.00 0.00 56.01 57.02 1ab0 n LEU 66 Cb 0.52 -1.57 0.00 0.00 -1.62 0.00 0.00 43.42 40.75 1ab0 n LEU 66 CO 0.23 -0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 1ab0 n GLY 67 N 1.03 0.31 3.22 -0.72 0.00 0.88 -4.98 105.19 104.92 1ab0 n GLY 67 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1ab0 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab0 s VAL 68 N -1.73 3.00 0.36 1.61 1.01 -1.05 -4.97 120.40 118.62 1ab0 s VAL 68 Ca 0.00 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 1ab0 s VAL 68 Cb 0.00 -2.50 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 1ab0 s VAL 68 CO 0.00 0.22 1.32 1.21 0.00 0.00 0.00 175.10 177.85 1ab0 n GLU 69 N 4.70 2.19 -3.76 2.72 2.13 -1.26 -4.64 120.64 122.71 1ab0 n GLU 69 Ca -0.17 0.77 -0.11 0.00 0.66 0.00 0.00 57.16 58.31 1ab0 n GLU 69 Cb 0.47 -2.40 -0.07 0.00 0.27 0.00 0.00 31.44 29.72 1ab0 n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ab0 s PHE 70 N -1.12 -0.10 0.08 4.31 -0.71 0.03 -4.99 117.98 115.48 1ab0 s PHE 70 Ca 0.56 -0.05 -0.26 0.00 -1.04 0.00 0.00 56.93 56.14 1ab0 s PHE 70 Cb -0.54 0.09 -0.06 0.00 -1.21 0.00 0.00 43.02 41.30 1ab0 s PHE 70 CO 0.62 -0.51 0.79 -0.51 -1.34 0.00 0.00 175.22 174.28 1ab0 s ASP 71 N -2.09 7.29 -0.02 1.98 1.01 -1.26 -0.28 116.67 123.30 1ab0 s ASP 71 Ca -0.05 1.54 0.01 0.00 0.71 0.00 0.00 52.55 54.76 1ab0 s ASP 71 Cb -0.01 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.45 1ab0 s ASP 71 CO -0.04 0.05 -0.02 -0.70 0.21 0.00 0.00 175.17 174.68 1ab0 s GLU 72 N -0.32 0.37 -0.35 8.23 2.12 0.39 -4.91 118.70 124.22 1ab0 s GLU 72 Ca 0.39 -0.02 -0.10 0.00 0.36 0.00 0.00 54.97 55.60 1ab0 s GLU 72 Cb -0.22 -0.47 0.02 0.00 0.26 0.00 0.00 34.13 33.73 1ab0 s GLU 72 CO 0.25 -0.06 0.18 0.42 -0.54 0.00 0.00 175.26 175.51 1ab0 s ILE 73 N 0.64 4.48 1.06 -3.70 1.01 -1.26 -0.08 121.20 123.35 1ab0 s ILE 73 Ca -0.07 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1ab0 s ILE 73 Cb -0.10 -3.45 0.22 0.00 0.01 0.00 0.00 42.46 39.14 1ab0 s ILE 73 CO -0.01 -0.15 1.12 0.42 0.00 0.00 0.00 174.94 176.31 1ab0 s THR 74 N 1.55 1.87 0.23 2.92 -4.23 -0.00 -4.90 115.64 113.07 1ab0 s THR 74 Ca 0.02 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 1ab0 s THR 74 Cb -0.19 -2.56 0.19 0.00 1.34 0.00 0.00 72.50 71.29 1ab0 s THR 74 CO 0.06 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.02 1ab0 h ALA 75 N -2.07 1.08 -0.06 3.99 0.00 -1.98 -1.91 119.26 118.31 1ab0 h ALA 75 Ca -0.51 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ab0 h ALA 75 Cb 1.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ab0 h ALA 75 CO 0.50 0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.74 1ab0 n ASP 76 N -4.55 1.37 -1.35 0.00 5.75 -1.26 -4.87 116.55 111.64 1ab0 n ASP 76 Ca 0.10 -2.09 -0.14 0.00 -0.01 0.00 0.00 54.79 52.65 1ab0 n ASP 76 Cb 0.06 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.66 1ab0 n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ab0 n ASP 77 N 0.03 -4.37 -4.79 -1.12 8.00 -0.72 -4.99 116.55 108.59 1ab0 n ASP 77 Ca 0.03 0.12 -0.38 0.00 0.71 0.00 0.00 54.79 55.27 1ab0 n ASP 77 Cb 0.32 -3.36 -0.06 0.00 -0.02 0.00 0.00 41.12 38.00 1ab0 n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ab0 s ARG 78 N -4.09 4.14 -0.45 -1.24 0.52 -1.26 -4.85 118.95 111.72 1ab0 s ARG 78 Ca 0.00 0.55 -0.17 0.00 -0.52 0.00 0.00 55.73 55.59 1ab0 s ARG 78 Cb 0.00 -3.29 0.05 0.00 0.52 0.00 0.00 34.95 32.23 1ab0 s ARG 78 CO 0.00 0.52 0.43 0.21 0.02 0.00 0.00 175.30 176.48 1ab0 s LYS 79 N -0.59 3.04 0.31 3.54 2.36 -1.26 -0.82 119.74 126.31 1ab0 s LYS 79 Ca 0.27 -1.05 0.08 0.00 -2.55 0.00 0.00 55.97 52.72 1ab0 s LYS 79 Cb -0.17 -4.06 -0.06 0.00 -1.05 0.00 0.00 37.83 32.49 1ab0 s LYS 79 CO 0.15 -0.97 -0.07 0.14 1.55 0.00 0.00 175.35 176.15 1ab0 s VAL 80 N 1.97 1.88 -0.28 4.02 -7.23 0.89 -4.83 120.40 116.81 1ab0 s VAL 80 Ca 0.08 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 1ab0 s VAL 80 Cb -0.20 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1ab0 s VAL 80 CO 0.10 -0.25 0.15 -0.54 -0.31 0.00 0.00 175.10 174.25 1ab0 s LYS 81 N -3.68 3.66 0.16 4.82 -0.14 -0.05 -0.46 119.74 124.05 1ab0 s LYS 81 Ca 0.31 -0.50 0.09 0.00 -1.36 0.00 0.00 55.97 54.51 1ab0 s LYS 81 Cb 0.03 -3.54 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 1ab0 s LYS 81 CO 0.14 -0.26 -0.13 -1.12 -0.76 0.00 0.00 175.35 173.22 1ab0 s SER 82 N 1.67 4.10 -0.10 2.83 0.01 0.62 -0.97 113.70 121.87 1ab0 s SER 82 Ca 0.06 -0.59 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 1ab0 s SER 82 Cb -0.16 -0.64 0.05 0.00 0.21 0.00 0.00 66.02 65.47 1ab0 s SER 82 CO 0.07 0.12 0.22 -0.51 0.41 0.00 0.00 173.24 173.56 1ab0 s ILE 83 N -1.56 -0.15 -0.12 1.44 1.10 -1.03 -0.79 121.20 120.10 1ab0 s ILE 83 Ca 0.23 0.21 0.03 0.00 -0.51 0.00 0.00 60.65 60.61 1ab0 s ILE 83 Cb -0.09 -0.35 0.00 0.00 0.15 0.00 0.00 42.46 42.17 1ab0 s ILE 83 CO 0.14 0.09 -0.23 -0.63 -2.11 0.00 0.00 174.94 172.19 1ab0 s ILE 84 N 1.61 2.10 0.23 2.00 1.01 -1.26 -1.67 121.20 125.22 1ab0 s ILE 84 Ca -0.06 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.67 1ab0 s ILE 84 Cb -0.11 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1ab0 s ILE 84 CO -0.08 0.55 -0.08 0.42 0.00 0.00 0.00 174.94 175.76 1ab0 s THR 85 N 0.51 1.51 -0.45 2.92 -4.23 -0.18 -0.09 115.64 115.64 1ab0 s THR 85 Ca -0.14 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.14 1ab0 s THR 85 Cb -0.17 -2.23 0.10 0.00 1.34 0.00 0.00 72.50 71.54 1ab0 s THR 85 CO 0.05 -0.45 0.31 -0.22 -0.54 0.00 0.00 174.62 173.77 1ab0 s LEU 86 N -3.35 5.48 -0.11 4.79 2.96 -1.26 -0.11 118.68 127.09 1ab0 s LEU 86 Ca 0.26 -1.75 0.03 0.00 -0.22 0.00 0.00 54.13 52.45 1ab0 s LEU 86 Cb 0.02 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1ab0 s LEU 86 CO 0.08 -0.63 -0.20 -0.62 -1.32 0.00 0.00 176.35 173.66 1ab0 s ASP 87 N 2.45 2.79 -1.47 3.68 -1.08 -0.01 -4.72 116.67 118.32 1ab0 s ASP 87 Ca 0.05 -0.51 -0.10 0.00 -0.52 0.00 0.00 52.55 51.46 1ab0 s ASP 87 Cb -0.25 -1.28 0.05 0.00 -1.46 0.00 0.00 42.92 39.99 1ab0 s ASP 87 CO 0.00 0.10 0.86 0.61 0.52 0.00 0.00 175.17 177.26 1ab0 n GLY 88 N 3.82 -0.51 3.29 2.66 0.00 -1.26 -1.24 105.19 111.95 1ab0 n GLY 88 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ab0 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ab0 n GLY 89 N -1.63 2.18 3.79 -0.02 0.00 -1.26 -4.99 105.19 103.26 1ab0 n GLY 89 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ab0 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab0 s ALA 90 N -2.85 3.56 -0.28 4.61 0.00 -0.37 -4.77 121.76 121.66 1ab0 s ALA 90 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.56 1ab0 s ALA 90 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 1ab0 s ALA 90 CO 0.00 0.55 0.71 -0.51 0.00 0.00 0.00 175.76 176.51 1ab0 s LEU 91 N -2.96 4.09 -0.21 0.00 1.43 0.15 -0.83 118.68 120.36 1ab0 s LEU 91 Ca 0.31 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1ab0 s LEU 91 Cb -0.10 -2.96 -0.01 0.00 0.03 0.00 0.00 46.19 43.14 1ab0 s LEU 91 CO 0.23 -0.50 -0.04 -0.69 0.23 0.00 0.00 176.35 175.58 1ab0 s VAL 92 N 2.73 3.53 -0.10 -1.59 1.01 0.85 -0.82 120.40 125.99 1ab0 s VAL 92 Ca 0.29 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1ab0 s VAL 92 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1ab0 s VAL 92 CO 0.10 0.43 -0.16 -1.58 0.00 0.00 0.00 175.10 173.90 1ab0 s GLN 93 N 1.23 3.06 -0.16 2.72 0.74 0.36 -1.01 119.66 126.59 1ab0 s GLN 93 Ca 0.03 -0.74 0.02 0.00 0.05 0.00 0.00 55.36 54.72 1ab0 s GLN 93 Cb -0.14 -2.48 0.02 0.00 1.10 0.00 0.00 33.01 31.50 1ab0 s GLN 93 CO -0.01 0.32 -0.20 0.08 -0.55 0.00 0.00 175.29 174.93 1ab0 s VAL 94 N 0.05 2.03 -0.19 1.34 1.01 -0.67 -0.76 120.40 123.21 1ab0 s VAL 94 Ca -0.06 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1ab0 s VAL 94 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1ab0 s VAL 94 CO 0.05 0.54 0.05 -1.10 0.00 0.00 0.00 175.10 174.63 1ab0 s GLN 95 N 1.12 3.85 -0.04 2.72 -0.21 -0.66 -2.46 119.66 123.99 1ab0 s GLN 95 Ca 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 55.04 1ab0 s GLN 95 Cb -0.14 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1ab0 s GLN 95 CO -0.09 0.17 -0.22 0.15 -2.12 0.00 0.00 175.29 173.18 1ab0 s LYS 96 N 0.64 2.11 -0.29 2.91 1.02 -0.14 -1.31 119.74 124.67 1ab0 s LYS 96 Ca 0.02 -0.80 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 1ab0 s LYS 96 Cb -0.13 -1.88 0.16 0.00 -0.52 0.00 0.00 37.83 35.46 1ab0 s LYS 96 CO 0.02 0.39 1.14 1.67 -0.92 0.00 0.00 175.35 177.65 1ab0 s TRP 97 N -0.26 -0.35 -1.48 3.18 -2.14 -0.46 -0.87 118.94 116.56 1ab0 s TRP 97 Ca 0.01 0.76 -0.12 0.00 2.66 0.00 0.00 56.10 59.42 1ab0 s TRP 97 Cb -0.11 0.33 0.06 0.00 -3.10 0.00 0.00 33.47 30.66 1ab0 s TRP 97 CO 0.02 -0.17 0.91 -0.25 -2.66 0.00 0.00 176.95 174.80 1ab0 n ASP 98 N 2.66 -5.10 0.00 -2.66 9.92 -1.26 -0.54 116.55 119.57 1ab0 n ASP 98 Ca -0.15 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.48 1ab0 n ASP 98 Cb 0.57 -4.07 0.00 0.00 -0.64 0.00 0.00 41.12 36.97 1ab0 n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ab0 n GLY 99 N -1.66 0.70 3.97 0.44 0.00 -1.26 -4.98 105.19 102.39 1ab0 n GLY 99 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1ab0 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ab0 s LYS 100 N -0.35 3.14 -0.11 1.61 1.02 0.30 -5.13 119.74 120.22 1ab0 s LYS 100 Ca 0.00 -0.99 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 1ab0 s LYS 100 Cb 0.00 -2.79 0.07 0.00 -0.52 0.00 0.00 37.83 34.59 1ab0 s LYS 100 CO 0.00 0.15 0.69 -1.54 -0.92 0.00 0.00 175.35 173.74 1ab0 s SER 101 N -4.10 -0.68 0.03 2.83 1.04 -1.26 -1.36 113.70 110.19 1ab0 s SER 101 Ca 0.42 0.92 0.01 0.00 0.48 0.00 0.00 55.95 57.78 1ab0 s SER 101 Cb -0.09 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 1ab0 s SER 101 CO 0.30 -0.51 -0.05 0.28 0.98 0.00 0.00 173.24 174.24 1ab0 s THR 102 N -0.75 0.34 -0.11 2.02 -1.32 -0.43 -4.86 115.64 110.54 1ab0 s THR 102 Ca -0.08 -0.86 -0.01 0.00 -1.21 0.00 0.00 61.69 59.53 1ab0 s THR 102 Cb -0.01 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.52 1ab0 s THR 102 CO 0.07 -0.35 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.19 1ab0 s THR 103 N -1.19 3.80 -0.18 5.08 2.01 -1.06 -1.65 115.64 122.45 1ab0 s THR 103 Ca -0.10 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1ab0 s THR 103 Cb -0.09 -2.60 0.03 0.00 0.01 0.00 0.00 72.50 69.85 1ab0 s THR 103 CO -0.00 0.55 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.73 1ab0 s ILE 104 N -0.28 1.62 -0.18 1.82 1.01 0.06 -1.20 121.20 124.05 1ab0 s ILE 104 Ca 0.04 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 1ab0 s ILE 104 Cb -0.13 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1ab0 s ILE 104 CO 0.02 0.30 -0.02 -0.54 0.00 0.00 0.00 174.94 174.70 1ab0 s LYS 105 N 1.43 3.63 -0.24 2.79 1.02 0.67 -0.49 119.74 128.55 1ab0 s LYS 105 Ca 0.01 -0.53 -0.00 0.00 0.02 0.00 0.00 55.97 55.48 1ab0 s LYS 105 Cb -0.15 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 34.19 1ab0 s LYS 105 CO -0.09 0.10 -0.09 1.03 -0.92 0.00 0.00 175.35 175.38 1ab0 s ARG 106 N 0.75 2.71 0.05 1.68 0.52 -0.00 -0.21 118.95 124.45 1ab0 s ARG 106 Ca -0.01 -1.05 0.05 0.00 -0.52 0.00 0.00 55.73 54.20 1ab0 s ARG 106 Cb -0.14 -2.92 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1ab0 s ARG 106 CO 0.02 -0.42 -0.13 -1.59 0.02 0.00 0.00 175.30 173.20 1ab0 s LYS 107 N 1.27 0.81 -0.06 3.54 -2.85 -0.32 -0.67 119.74 121.47 1ab0 s LYS 107 Ca -0.01 -0.83 -0.22 0.00 -1.00 0.00 0.00 55.97 53.90 1ab0 s LYS 107 Cb -0.17 -0.79 -0.04 0.00 -2.06 0.00 0.00 37.83 34.76 1ab0 s LYS 107 CO -0.06 0.18 0.65 1.03 0.10 0.00 0.00 175.35 177.26 1ab0 s ARG 108 N -1.43 4.41 -0.38 1.78 1.81 -1.26 -0.56 118.95 123.31 1ab0 s ARG 108 Ca -0.01 0.80 0.01 0.00 -1.72 0.00 0.00 55.73 54.80 1ab0 s ARG 108 Cb -0.09 -3.42 0.12 0.00 -0.45 0.00 0.00 34.95 31.11 1ab0 s ARG 108 CO 0.02 0.15 0.19 0.34 -0.68 0.00 0.00 175.30 175.31 1ab0 s ASP 109 N 0.54 3.66 1.65 0.23 -1.08 0.16 -4.96 116.67 116.88 1ab0 s ASP 109 Ca 0.35 -2.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.17 1ab0 s ASP 109 Cb -0.18 -0.86 0.00 0.00 -1.46 0.00 0.00 42.92 40.42 1ab0 s ASP 109 CO 0.17 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 176.15 1ab0 n GLY 110 N 4.08 3.21 0.64 2.66 0.00 -1.26 -1.56 105.19 112.95 1ab0 n GLY 110 Ca 0.05 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.04 1ab0 n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ab0 n ASP 111 N 7.78 1.93 -4.64 1.61 8.00 -1.26 -4.92 116.55 125.05 1ab0 n ASP 111 Ca 0.00 -1.72 -0.23 0.00 0.71 0.00 0.00 54.79 53.55 1ab0 n ASP 111 Cb 0.00 -0.10 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1ab0 n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ab0 s LYS 112 N -1.81 2.26 -0.18 -1.24 1.02 -0.60 -4.05 119.74 115.14 1ab0 s LYS 112 Ca 0.34 -1.46 -0.00 0.00 0.02 0.00 0.00 55.97 54.86 1ab0 s LYS 112 Cb 0.19 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 1ab0 s LYS 112 CO 0.28 0.33 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.73 1ab0 s LEU 113 N -3.68 2.41 -0.16 3.17 2.96 -0.13 -0.66 118.68 122.59 1ab0 s LEU 113 Ca 0.32 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1ab0 s LEU 113 Cb -0.06 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1ab0 s LEU 113 CO 0.20 0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.55 1ab0 s VAL 114 N 1.17 4.12 -0.26 1.68 1.01 0.27 -0.15 120.40 128.24 1ab0 s VAL 114 Ca 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1ab0 s VAL 114 Cb -0.14 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.45 1ab0 s VAL 114 CO -0.06 0.49 -0.04 -0.69 0.00 0.00 0.00 175.10 174.80 1ab0 s VAL 115 N 0.27 3.02 -0.24 2.92 1.01 0.46 -1.17 120.40 126.69 1ab0 s VAL 115 Ca -0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 1ab0 s VAL 115 Cb -0.14 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1ab0 s VAL 115 CO 0.02 0.16 0.01 -1.61 0.00 0.00 0.00 175.10 173.68 1ab0 s GLU 116 N 1.34 3.47 -0.19 2.72 2.02 0.71 -0.82 118.70 127.94 1ab0 s GLU 116 Ca -0.00 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 1ab0 s GLU 116 Cb -0.17 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 1ab0 s GLU 116 CO -0.03 -0.21 -0.05 0.00 0.02 0.00 0.00 175.26 174.99 1ab0 s VAL 118 N 1.09 1.94 -0.25 0.00 1.01 -0.34 -0.46 120.40 123.39 1ab0 s VAL 118 Ca 0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1ab0 s VAL 118 Cb -0.15 -1.65 0.14 0.00 0.00 0.00 0.00 36.38 34.72 1ab0 s VAL 118 CO -0.00 0.54 0.44 -0.32 0.00 0.00 0.00 175.10 175.76 1ab0 s MET 119 N -0.09 0.40 -1.08 2.72 1.75 -0.34 -2.57 119.30 120.08 1ab0 s MET 119 Ca -0.05 0.74 -0.21 0.00 -1.25 0.00 0.00 55.69 54.92 1ab0 s MET 119 Cb -0.14 -0.09 0.02 0.00 2.84 0.00 0.00 34.83 37.46 1ab0 s MET 119 CO 0.04 -0.56 0.71 1.63 -0.65 0.00 0.00 175.02 176.18 1ab0 n LYS 120 N 5.39 -0.89 -0.75 4.11 5.02 -1.26 -1.54 118.16 128.24 1ab0 n LYS 120 Ca -0.04 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1ab0 n LYS 120 Cb 0.50 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.34 1ab0 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ab0 n GLY 121 N -1.85 1.01 3.48 0.72 0.00 -1.26 -4.99 105.19 102.30 1ab0 n GLY 121 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1ab0 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ab0 s VAL 122 N -3.19 4.32 -0.19 1.61 1.01 -0.59 -5.09 120.40 118.28 1ab0 s VAL 122 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 1ab0 s VAL 122 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1ab0 s VAL 122 CO 0.00 0.38 -0.14 -0.89 0.00 0.00 0.00 175.10 174.45 1ab0 s THR 123 N 1.25 2.60 -0.12 3.92 2.01 -1.26 -1.20 115.64 122.84 1ab0 s THR 123 Ca 0.04 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1ab0 s THR 123 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1ab0 s THR 123 CO 0.03 0.50 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.87 1ab0 s SER 124 N 1.23 4.84 -0.10 3.53 0.15 0.39 -4.70 113.70 119.02 1ab0 s SER 124 Ca 0.03 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1ab0 s SER 124 Cb -0.14 -1.59 0.01 0.00 -1.71 0.00 0.00 66.02 62.58 1ab0 s SER 124 CO -0.07 0.25 -0.20 -0.89 1.20 0.00 0.00 173.24 173.53 1ab0 s THR 125 N -0.11 1.78 -0.09 6.45 2.01 -0.87 -0.54 115.64 124.27 1ab0 s THR 125 Ca 0.02 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.23 1ab0 s THR 125 Cb -0.13 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.81 1ab0 s THR 125 CO 0.02 0.50 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.10 1ab0 s ARG 126 N 0.64 2.82 -0.16 4.92 1.81 0.00 -1.26 118.95 127.73 1ab0 s ARG 126 Ca -0.13 -0.82 -0.01 0.00 -1.72 0.00 0.00 55.73 53.05 1ab0 s ARG 126 Cb -0.16 -2.16 -0.01 0.00 -0.45 0.00 0.00 34.95 32.16 1ab0 s ARG 126 CO 0.03 0.17 -0.10 0.08 -0.68 0.00 0.00 175.30 174.80 1ab0 s VAL 127 N 0.34 3.14 0.10 3.52 1.01 -0.01 -0.40 120.40 128.11 1ab0 s VAL 127 Ca -0.17 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1ab0 s VAL 127 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1ab0 s VAL 127 CO 0.08 0.50 -0.18 -0.31 0.00 0.00 0.00 175.10 175.19 1ab0 s TYR 128 N 0.71 2.55 0.11 5.22 1.51 0.79 -0.98 117.35 127.26 1ab0 s TYR 128 Ca -0.05 -0.26 0.09 0.00 -1.01 0.00 0.00 57.07 55.85 1ab0 s TYR 128 Cb -0.15 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1ab0 s TYR 128 CO 0.02 0.36 -0.23 -1.21 -1.11 0.00 0.00 175.55 173.38 1ab0 s GLU 129 N -2.02 1.27 0.14 -0.62 2.02 -0.27 -0.95 118.70 118.27 1ab0 s GLU 129 Ca 0.17 -1.21 -0.31 0.00 0.02 0.00 0.00 54.97 53.64 1ab0 s GLU 129 Cb -0.11 -1.61 -0.09 0.00 0.10 0.00 0.00 34.13 32.42 1ab0 s GLU 129 CO 0.09 0.38 1.54 0.50 0.02 0.00 0.00 175.26 177.79 1ab0 s ARG 130 N -1.89 4.24 0.00 1.61 3.52 -1.26 -0.72 118.95 124.45 1ab0 s ARG 130 Ca 0.09 2.29 0.31 0.00 -0.13 0.00 0.00 55.73 58.30 1ab0 s ARG 130 Cb -0.10 -3.23 1.73 0.00 -1.56 0.00 0.00 34.95 31.79 1ab0 s ARG 130 CO 0.05 -0.59 2.13 0.00 -0.81 0.00 0.00 175.30 176.08