#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gr2 s THR 17 N 0.00 5.24 0.09 0.00 2.01 -1.26 -4.10 115.64 117.62 1gr2 s THR 17 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 1gr2 s THR 17 Cb 0.00 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1gr2 s THR 17 CO 0.00 0.24 1.00 -0.69 -0.69 0.00 0.00 174.62 174.49 1gr2 s VAL 18 N 1.75 4.47 -0.39 3.82 1.01 0.13 -4.85 120.40 126.34 1gr2 s VAL 18 Ca 0.07 1.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.78 1gr2 s VAL 18 Cb -0.16 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.98 1gr2 s VAL 18 CO 0.10 0.25 0.75 -0.69 0.00 0.00 0.00 175.10 175.52 1gr2 s VAL 19 N 0.32 4.74 -0.32 2.92 1.01 -1.26 -0.47 120.40 127.34 1gr2 s VAL 19 Ca 0.50 0.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.07 1gr2 s VAL 19 Cb -0.24 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1gr2 s VAL 19 CO 0.30 -0.49 0.15 -0.69 0.00 0.00 0.00 175.10 174.38 1gr2 s VAL 20 N 3.06 4.56 0.08 2.92 1.01 -0.01 -0.93 120.40 131.09 1gr2 s VAL 20 Ca 0.29 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1gr2 s VAL 20 Cb -0.13 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.83 1gr2 s VAL 20 CO 0.18 0.03 0.53 0.28 0.00 0.00 0.00 175.10 176.13 1gr2 s THR 21 N 1.60 4.83 0.10 3.92 -1.32 0.29 0.16 115.64 125.22 1gr2 s THR 21 Ca 0.04 1.04 -0.01 0.00 -1.21 0.00 0.00 61.69 61.54 1gr2 s THR 21 Cb -0.17 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.01 1gr2 s THR 21 CO 0.06 0.47 0.16 1.07 -2.21 0.00 0.00 174.62 174.17 1gr2 n THR 22 N 1.48 0.00 -3.70 5.08 5.66 0.87 -2.68 114.28 120.98 1gr2 n THR 22 Ca -0.10 -0.47 -0.14 0.00 -3.05 0.00 0.00 64.05 60.29 1gr2 n THR 22 Cb 0.51 0.31 -0.08 0.00 -1.55 0.00 0.00 70.33 69.53 1gr2 n THR 22 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1gr2 s ILE 23 N -2.58 0.05 -0.19 1.09 2.07 -1.26 -0.74 121.20 119.64 1gr2 s ILE 23 Ca 0.08 -0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 58.60 1gr2 s ILE 23 Cb -0.00 -0.79 -0.00 0.00 0.13 0.00 0.00 42.46 41.80 1gr2 s ILE 23 CO 0.06 -0.23 1.17 -0.76 -1.91 0.00 0.00 174.94 173.26 1gr2 s LEU 24 N -1.55 4.14 -0.30 8.50 1.43 -1.26 -4.46 118.68 125.18 1gr2 s LEU 24 Ca -0.10 1.56 -0.08 0.00 -1.03 0.00 0.00 54.13 54.48 1gr2 s LEU 24 Cb -0.03 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.81 1gr2 s LEU 24 CO 0.03 -0.73 0.68 -0.70 0.23 0.00 0.00 176.35 175.86 1gr2 s GLU 25 N 3.39 0.53 0.32 1.70 2.56 -0.49 -4.98 118.70 121.73 1gr2 s GLU 25 Ca 0.50 1.20 -0.28 0.00 0.00 0.00 0.00 54.97 56.39 1gr2 s GLU 25 Cb -0.19 0.71 -0.09 0.00 2.00 0.00 0.00 34.13 36.56 1gr2 s GLU 25 CO 0.11 -0.32 1.14 -1.12 -0.56 0.00 0.00 175.26 174.51 1gr2 s SER 26 N 2.85 7.04 -0.27 -1.70 0.01 -1.25 -0.87 113.70 119.50 1gr2 s SER 26 Ca 0.03 2.33 0.13 0.00 1.31 0.00 0.00 55.95 59.75 1gr2 s SER 26 Cb -0.12 -2.63 0.81 0.00 0.21 0.00 0.00 66.02 64.29 1gr2 s SER 26 CO -0.19 -0.31 1.78 -0.81 0.41 0.00 0.00 173.24 174.11 1gr2 n PRO 27 N 0.86 4.57 0.02 12.44 -0.04 -1.26 -4.93 135.00 146.66 1gr2 n PRO 27 Ca 0.00 -3.15 -0.12 0.00 -0.04 0.00 0.00 63.50 60.19 1gr2 n PRO 27 Cb 0.45 -2.26 -0.09 0.00 -0.04 0.00 0.00 33.50 31.55 1gr2 n PRO 27 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1gr2 h TYR 28 N 3.60 -0.11 -3.29 0.54 0.05 -1.33 -0.75 116.97 115.68 1gr2 h TYR 28 Ca 0.09 -0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.58 1gr2 h TYR 28 Cb 2.12 0.04 -0.34 0.00 1.01 0.00 0.00 36.73 39.55 1gr2 h TYR 28 CO 1.17 0.39 -0.66 0.08 -1.05 0.00 0.00 178.16 178.09 1gr2 s VAL 29 N -3.82 -0.11 0.04 -2.88 1.01 -0.58 -1.08 120.40 112.98 1gr2 s VAL 29 Ca -0.15 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1gr2 s VAL 29 Cb 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1gr2 s VAL 29 CO 0.59 0.11 0.10 -0.04 0.00 0.00 0.00 175.10 175.87 1gr2 s MET 30 N 1.54 0.62 0.01 2.72 -1.94 0.07 -1.39 119.30 120.92 1gr2 s MET 30 Ca -0.04 -0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 1gr2 s MET 30 Cb -0.12 0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 1gr2 s MET 30 CO -0.05 -0.16 0.94 -1.64 -0.01 0.00 0.00 175.02 174.10 1gr2 s MET 31 N -2.76 4.56 0.34 2.03 -1.94 -1.26 -1.57 119.30 118.70 1gr2 s MET 31 Ca -0.04 1.35 -0.28 0.00 -1.71 0.00 0.00 55.69 55.01 1gr2 s MET 31 Cb -0.00 -3.44 -0.12 0.00 2.01 0.00 0.00 34.83 33.27 1gr2 s MET 31 CO -0.05 0.02 1.27 1.63 -0.01 0.00 0.00 175.02 177.87 1gr2 n LYS 32 N 3.67 2.07 -1.35 2.03 5.02 -0.46 -4.89 118.16 124.25 1gr2 n LYS 32 Ca 0.04 0.73 -0.38 0.00 -2.02 0.00 0.00 58.31 56.68 1gr2 n LYS 32 Cb 0.51 -2.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.20 1gr2 n LYS 32 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1gr2 n LYS 33 N 0.58 3.20 0.00 1.97 5.02 -1.26 -5.06 118.16 122.62 1gr2 n LYS 33 Ca 0.05 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.14 1gr2 n LYS 33 Cb 0.36 -2.89 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 1gr2 n LYS 33 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1gr2 n MET 37 N 4.46 0.00 -4.54 1.97 2.81 -1.26 -5.31 117.12 115.25 1gr2 n MET 37 Ca 0.67 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 56.29 1gr2 n MET 37 Cb 0.27 -0.39 -0.10 0.00 -0.71 0.00 0.00 33.22 32.29 1gr2 n MET 37 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1gr2 s LEU 38 N 0.00 2.84 0.16 4.03 1.43 -1.26 -5.14 118.68 120.74 1gr2 s LEU 38 Ca 0.00 -1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 51.77 1gr2 s LEU 38 Cb 0.00 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 1gr2 s LEU 38 CO 0.00 -0.34 0.22 -1.61 0.23 0.00 0.00 176.35 174.85 1gr2 s GLU 39 N -3.68 1.10 4.67 1.70 2.02 -1.26 -4.82 118.70 118.43 1gr2 s GLU 39 Ca 0.34 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 54.08 1gr2 s GLU 39 Cb 0.06 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.63 1gr2 s GLU 39 CO 0.18 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1gr2 n GLY 40 N -0.19 1.69 0.28 -1.39 0.00 -1.26 -2.85 105.19 101.46 1gr2 n GLY 40 Ca -0.06 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1gr2 n GLY 40 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gr2 h ASN 41 N 9.32 0.00 0.46 1.61 2.35 -1.93 -2.78 115.58 124.61 1gr2 h ASN 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1gr2 h ASN 41 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1gr2 h ASN 41 CO 0.00 0.06 0.00 -0.62 -1.65 0.00 0.00 177.43 175.22 1gr2 n GLU 42 N -3.78 0.00 0.22 0.81 -0.58 -1.13 -2.21 120.64 113.97 1gr2 n GLU 42 Ca -0.02 0.27 0.14 0.00 -0.42 0.00 0.00 57.16 57.13 1gr2 n GLU 42 Cb 0.16 -1.50 0.46 0.00 -0.57 0.00 0.00 31.44 29.99 1gr2 n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gr2 h ARG 43 N 0.00 0.00 -6.25 3.49 3.08 -1.60 -3.45 114.38 109.65 1gr2 h ARG 43 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1gr2 h ARG 43 Cb 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 1gr2 h ARG 43 CO 0.00 0.00 -0.60 0.71 -1.07 0.00 0.00 179.97 179.01 1gr2 s TYR 44 N -3.41 2.95 0.03 3.04 2.02 -0.94 -1.36 117.35 119.68 1gr2 s TYR 44 Ca 0.05 -0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.44 1gr2 s TYR 44 Cb 0.08 -1.38 0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1gr2 s TYR 44 CO 0.57 0.54 0.41 -1.83 -1.57 0.00 0.00 175.55 173.67 1gr2 s GLU 45 N -3.33 0.88 0.00 -0.62 -1.05 -0.61 -4.82 118.70 109.15 1gr2 s GLU 45 Ca 0.30 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 1gr2 s GLU 45 Cb -0.09 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 1gr2 s GLU 45 CO 0.21 -0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.54 1gr2 n GLY 46 N 0.67 2.89 0.26 -3.83 0.00 -1.26 -0.75 105.19 103.17 1gr2 n GLY 46 Ca -0.19 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 1gr2 n GLY 46 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gr2 h TYR 47 N 0.00 -0.51 0.00 1.61 5.03 -0.76 -0.51 116.97 121.82 1gr2 h TYR 47 Ca 0.00 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1gr2 h TYR 47 Cb 0.00 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 1gr2 h TYR 47 CO 0.00 -0.29 -0.06 0.00 -1.32 0.00 0.00 178.16 176.49 1gr2 h VAL 49 N 0.00 1.30 -0.30 0.00 2.07 -1.19 -1.93 116.25 116.20 1gr2 h VAL 49 Ca -0.00 -2.47 -0.18 0.00 0.82 0.00 0.00 66.70 64.87 1gr2 h VAL 49 Cb 0.53 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1gr2 h VAL 49 CO 0.01 0.75 -0.52 0.44 0.02 0.00 0.00 177.57 178.27 1gr2 h ASP 50 N 0.28 0.96 -0.78 0.57 3.32 -0.94 -2.67 116.42 117.16 1gr2 h ASP 50 Ca -0.17 -0.50 -0.05 0.00 0.02 0.00 0.00 57.03 56.33 1gr2 h ASP 50 Cb 1.88 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 1gr2 h ASP 50 CO 0.23 1.30 0.31 0.25 -1.72 0.00 0.00 179.24 179.60 1gr2 h LEU 51 N 0.68 1.09 -0.45 1.55 5.85 -1.10 -1.60 115.31 121.32 1gr2 h LEU 51 Ca 0.02 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1gr2 h LEU 51 Cb 1.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1gr2 h LEU 51 CO 0.12 0.97 0.27 0.00 -0.34 0.00 0.00 178.44 179.45 1gr2 h ALA 52 N 1.16 0.58 -0.77 1.25 0.00 -1.28 0.65 119.26 120.85 1gr2 h ALA 52 Ca 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1gr2 h ALA 52 Cb 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1gr2 h ALA 52 CO -0.02 0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.68 1gr2 h ALA 53 N 1.12 1.22 -0.16 0.00 0.00 -1.14 -0.63 119.26 119.66 1gr2 h ALA 53 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1gr2 h ALA 53 Cb 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1gr2 h ALA 53 CO -0.03 0.60 -0.16 0.93 0.00 0.00 0.00 179.25 180.60 1gr2 h GLU 54 N 1.09 0.39 -0.51 0.00 4.39 -0.88 -1.36 114.58 117.71 1gr2 h GLU 54 Ca 0.27 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1gr2 h GLU 54 Cb 0.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1gr2 h GLU 54 CO -0.04 0.76 -0.12 -0.84 -1.16 0.00 0.00 179.01 177.61 1gr2 h ILE 55 N 0.04 1.27 -0.73 3.13 3.07 -0.73 -1.47 117.51 122.09 1gr2 h ILE 55 Ca 0.03 -1.26 -0.00 0.00 1.55 0.00 0.00 64.86 65.17 1gr2 h ILE 55 Cb 0.69 1.00 -0.04 0.00 -0.27 0.00 0.00 36.82 38.20 1gr2 h ILE 55 CO 0.04 0.44 0.44 0.00 -1.05 0.00 0.00 178.15 178.02 1gr2 h ALA 56 N 1.00 0.93 0.32 0.16 0.00 -1.09 0.14 119.26 120.71 1gr2 h ALA 56 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gr2 h ALA 56 Cb 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1gr2 h ALA 56 CO 0.05 0.40 -0.16 0.87 0.00 0.00 0.00 179.25 180.40 1gr2 h LYS 57 N 0.99 -0.43 -0.08 0.00 1.57 -0.93 0.87 116.57 118.56 1gr2 h LYS 57 Ca 0.26 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1gr2 h LYS 57 Cb -0.03 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1gr2 h LYS 57 CO -0.05 -0.29 0.05 1.25 -0.57 0.00 0.00 179.45 179.85 1gr2 h HIS 58 N -0.45 0.11 0.00 -1.35 -0.00 -1.04 -2.62 115.15 109.80 1gr2 h HIS 58 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1gr2 h HIS 58 Cb 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1gr2 h HIS 58 CO -0.07 0.08 0.00 0.00 -0.00 0.00 0.00 177.93 177.95 1gr2 n GLY 60 N 0.39 -0.02 3.19 0.00 0.00 0.29 -5.04 105.19 104.00 1gr2 n GLY 60 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 1gr2 n GLY 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gr2 s PHE 61 N -3.21 1.07 0.10 1.61 -0.12 -0.77 -5.05 117.98 111.62 1gr2 s PHE 61 Ca 0.01 -0.73 -0.04 0.00 -0.05 0.00 0.00 56.93 56.11 1gr2 s PHE 61 Cb -0.00 -0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 41.76 1gr2 s PHE 61 CO 0.42 -0.01 0.32 0.21 -0.05 0.00 0.00 175.22 176.11 1gr2 s LYS 62 N -3.24 3.58 0.06 1.99 2.20 -1.26 -4.65 119.74 118.42 1gr2 s LYS 62 Ca 0.09 -0.15 -0.16 0.00 -0.36 0.00 0.00 55.97 55.39 1gr2 s LYS 62 Cb 0.00 -2.94 0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1gr2 s LYS 62 CO -0.01 0.54 0.37 1.52 -0.36 0.00 0.00 175.35 177.41 1gr2 s TYR 63 N -1.55 -0.20 -0.15 4.03 1.13 -1.26 -0.70 117.35 118.65 1gr2 s TYR 63 Ca 0.37 0.08 0.01 0.00 -1.41 0.00 0.00 57.07 56.12 1gr2 s TYR 63 Cb -0.13 0.18 0.02 0.00 -1.10 0.00 0.00 41.96 40.93 1gr2 s TYR 63 CO 0.24 -0.57 -0.17 0.21 -2.51 0.00 0.00 175.55 172.74 1gr2 s LYS 64 N -2.72 2.62 -0.14 -3.49 2.20 0.37 -4.86 119.74 113.72 1gr2 s LYS 64 Ca -0.04 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 1gr2 s LYS 64 Cb -0.00 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1gr2 s LYS 64 CO -0.04 -0.16 1.01 -0.51 -0.36 0.00 0.00 175.35 175.29 1gr2 s LEU 65 N 1.24 4.20 0.01 5.43 1.43 -1.26 -0.83 118.68 128.90 1gr2 s LEU 65 Ca 0.01 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1gr2 s LEU 65 Cb -0.14 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1gr2 s LEU 65 CO -0.09 -0.51 -0.18 0.42 0.23 0.00 0.00 176.35 176.22 1gr2 s THR 66 N 2.38 1.44 -0.13 5.49 -4.23 0.12 -4.86 115.64 115.86 1gr2 s THR 66 Ca 0.47 -0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 59.87 1gr2 s THR 66 Cb -0.17 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.39 1gr2 s THR 66 CO 0.14 0.29 0.48 -0.63 -0.54 0.00 0.00 174.62 174.36 1gr2 s ILE 67 N -0.59 5.18 0.03 2.99 -1.09 -1.26 -0.09 121.20 126.36 1gr2 s ILE 67 Ca 0.06 0.96 -0.35 0.00 -2.23 0.00 0.00 60.65 59.09 1gr2 s ILE 67 Cb -0.08 -3.82 -0.14 0.00 -1.58 0.00 0.00 42.46 36.84 1gr2 s ILE 67 CO 0.00 0.30 1.63 0.55 -1.23 0.00 0.00 174.94 176.20 1gr2 n VAL 68 N 3.79 0.19 -0.30 2.92 3.14 0.08 -4.89 118.33 123.27 1gr2 n VAL 68 Ca -0.07 -0.03 0.03 0.00 -2.96 0.00 0.00 64.34 61.31 1gr2 n VAL 68 Cb 0.51 -1.46 0.17 0.00 -1.06 0.00 0.00 33.84 32.00 1gr2 n VAL 68 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1gr2 h GLY 69 N 6.71 1.33 -0.72 7.55 0.00 -1.95 -2.77 103.07 113.22 1gr2 h GLY 69 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1gr2 h GLY 69 CO 0.89 0.16 0.00 2.09 0.00 0.00 0.00 176.54 179.68 1gr2 n ASP 70 N -4.70 1.70 -2.73 0.19 5.68 -1.26 -4.94 116.55 110.48 1gr2 n ASP 70 Ca 0.14 -1.62 -0.21 0.00 -0.50 0.00 0.00 54.79 52.60 1gr2 n ASP 70 Cb 0.27 -0.05 0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1gr2 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gr2 n GLY 71 N 1.18 -0.51 3.57 6.12 0.00 -1.04 -4.95 105.19 109.54 1gr2 n GLY 71 Ca 0.18 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1gr2 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gr2 s LYS 72 N -5.39 1.98 -0.20 1.61 -0.14 -1.26 -5.06 119.74 111.28 1gr2 s LYS 72 Ca 0.16 -1.66 -0.21 0.00 -1.36 0.00 0.00 55.97 52.89 1gr2 s LYS 72 Cb -0.07 -1.93 -0.20 0.00 -1.68 0.00 0.00 37.83 33.95 1gr2 s LYS 72 CO 0.19 0.29 0.25 1.88 -0.76 0.00 0.00 175.35 177.20 1gr2 h TYR 73 N 2.03 0.02 0.00 3.18 -1.99 -1.91 -2.62 116.97 115.68 1gr2 h TYR 73 Ca -0.42 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1gr2 h TYR 73 Cb 1.25 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 1gr2 h TYR 73 CO 0.74 1.48 0.00 0.41 -0.00 0.00 0.00 178.16 180.79 1gr2 n GLY 74 N 1.46 1.94 3.08 3.88 0.00 -1.26 -1.91 105.19 112.39 1gr2 n GLY 74 Ca -0.31 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1gr2 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gr2 s ALA 75 N 0.00 -0.11 -0.33 4.61 0.00 -1.25 -4.94 121.76 119.73 1gr2 s ALA 75 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.40 1gr2 s ALA 75 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1gr2 s ALA 75 CO 0.00 -0.24 0.38 0.50 0.00 0.00 0.00 175.76 176.40 1gr2 s ARG 76 N -1.88 3.67 0.10 0.00 3.52 -1.26 -1.20 118.95 121.90 1gr2 s ARG 76 Ca -0.11 -0.29 -0.33 0.00 -0.13 0.00 0.00 55.73 54.87 1gr2 s ARG 76 Cb -0.06 -3.77 -0.12 0.00 -1.56 0.00 0.00 34.95 29.44 1gr2 s ARG 76 CO -0.01 -0.48 1.75 -3.47 -0.81 0.00 0.00 175.30 172.27 1gr2 n ASP 77 N 5.41 3.57 -0.01 -2.12 2.03 -0.22 -4.85 116.55 120.36 1gr2 n ASP 77 Ca -0.09 1.02 0.04 0.00 0.52 0.00 0.00 54.79 56.29 1gr2 n ASP 77 Cb 0.50 -1.47 0.42 0.00 -0.72 0.00 0.00 41.12 39.85 1gr2 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gr2 h ALA 78 N 7.61 1.72 0.00 -1.67 0.00 -1.95 0.64 119.26 125.60 1gr2 h ALA 78 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1gr2 h ALA 78 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1gr2 h ALA 78 CO 0.93 0.25 -0.36 0.38 0.00 0.00 0.00 179.25 180.45 1gr2 h ASP 79 N 0.56 0.00 1.75 0.00 -0.00 -1.99 -3.39 116.42 113.35 1gr2 h ASP 79 Ca 0.16 -0.24 -0.05 0.00 -0.00 0.00 0.00 57.03 56.90 1gr2 h ASP 79 Cb -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.29 1gr2 h ASP 79 CO -0.04 0.82 -0.24 0.71 -0.00 0.00 0.00 179.24 180.48 1gr2 h THR 80 N -1.00 0.42 -0.60 1.15 1.35 -1.97 -3.47 112.91 108.79 1gr2 h THR 80 Ca -0.05 -1.59 -0.26 0.00 -0.55 0.00 0.00 66.41 63.96 1gr2 h THR 80 Cb 0.53 2.20 -0.10 0.00 -1.73 0.00 0.00 68.15 69.05 1gr2 h THR 80 CO -0.03 0.24 -0.23 0.29 -0.25 0.00 0.00 175.52 175.53 1gr2 n LYS 81 N -3.16 -0.88 -3.98 4.72 5.02 0.22 -4.98 118.16 115.12 1gr2 n LYS 81 Ca 0.03 0.94 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 1gr2 n LYS 81 Cb 0.63 -4.97 -0.07 0.00 -0.02 0.00 0.00 35.03 30.60 1gr2 n LYS 81 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1gr2 s ILE 82 N -2.46 5.26 -0.01 -0.18 -4.36 -1.25 -4.67 121.20 113.53 1gr2 s ILE 82 Ca 0.00 0.11 -0.30 0.00 -0.26 0.00 0.00 60.65 60.20 1gr2 s ILE 82 Cb 0.00 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.39 1gr2 s ILE 82 CO 0.00 0.61 1.09 0.26 0.24 0.00 0.00 174.94 177.14 1gr2 s TRP 83 N -1.01 3.47 0.00 1.37 0.52 -1.26 -1.06 118.94 120.98 1gr2 s TRP 83 Ca 0.15 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.74 1gr2 s TRP 83 Cb -0.12 -3.28 0.00 0.00 -1.15 0.00 0.00 33.47 28.92 1gr2 s TRP 83 CO 0.04 -0.68 0.00 0.27 0.02 0.00 0.00 176.95 176.60 1gr2 n ASN 84 N 4.38 0.00 0.00 2.95 0.23 -0.34 -4.12 115.26 118.36 1gr2 n ASN 84 Ca 0.08 -0.98 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 1gr2 n ASN 84 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1gr2 n ASN 84 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gr2 n GLY 85 N 5.00 0.90 0.30 4.83 0.00 -1.26 -1.70 105.19 113.27 1gr2 n GLY 85 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 1gr2 n GLY 85 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gr2 h MET 86 N 0.00 0.73 -0.94 1.61 2.86 -0.98 -1.96 114.93 116.24 1gr2 h MET 86 Ca 0.00 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1gr2 h MET 86 Cb 0.00 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1gr2 h MET 86 CO 0.00 0.62 0.61 0.28 1.06 0.00 0.00 176.91 179.48 1gr2 h VAL 87 N 0.72 1.25 -0.57 -2.22 2.07 -1.50 -2.49 116.25 113.50 1gr2 h VAL 87 Ca 0.17 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1gr2 h VAL 87 Cb 0.18 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1gr2 h VAL 87 CO -0.01 0.24 0.08 1.23 0.02 0.00 0.00 177.57 179.13 1gr2 h GLY 88 N 1.29 1.03 1.18 2.17 0.00 -0.58 -0.75 103.07 107.41 1gr2 h GLY 88 Ca 0.34 -0.70 0.07 0.00 0.00 0.00 0.00 47.33 47.04 1gr2 h GLY 88 CO -0.07 0.64 0.39 0.83 0.00 0.00 0.00 176.54 178.33 1gr2 h GLU 89 N 0.85 0.52 0.24 4.80 4.39 -1.01 -0.42 114.58 123.94 1gr2 h GLU 89 Ca 0.17 -0.03 -0.34 0.00 0.34 0.00 0.00 59.36 59.50 1gr2 h GLU 89 Cb 0.43 -0.12 0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1gr2 h GLU 89 CO 0.01 0.34 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.60 1gr2 h LEU 90 N 0.54 0.78 -0.41 1.33 3.38 -1.14 0.58 115.31 120.37 1gr2 h LEU 90 Ca 0.26 -0.93 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 1gr2 h LEU 90 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1gr2 h LEU 90 CO -0.07 1.73 0.08 0.58 0.09 0.00 0.00 178.44 180.84 1gr2 h VAL 91 N 0.12 1.24 -0.50 1.22 2.07 -0.85 -3.05 116.25 116.49 1gr2 h VAL 91 Ca -0.28 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 1gr2 h VAL 91 Cb 2.14 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1gr2 h VAL 91 CO 0.25 0.29 0.12 -1.22 0.02 0.00 0.00 177.57 177.03 1gr2 n TYR 92 N -4.53 1.73 -2.32 1.57 4.01 -0.19 -4.95 117.16 112.48 1gr2 n TYR 92 Ca -0.00 -0.78 -0.19 0.00 -0.16 0.00 0.00 57.90 56.76 1gr2 n TYR 92 Cb 0.23 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 38.74 1gr2 n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gr2 n GLY 93 N 0.16 -0.25 0.07 2.72 0.00 -1.15 -4.91 105.19 101.83 1gr2 n GLY 93 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 1gr2 n GLY 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gr2 n LYS 94 N -2.91 0.42 -4.04 1.61 4.01 0.19 -4.94 118.16 112.51 1gr2 n LYS 94 Ca -0.23 0.07 -0.08 0.00 -0.51 0.00 0.00 58.31 57.56 1gr2 n LYS 94 Cb 0.67 -1.71 -0.11 0.00 -0.51 0.00 0.00 35.03 33.38 1gr2 n LYS 94 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gr2 s ALA 95 N -3.26 0.34 -0.13 7.82 0.00 -0.62 -5.00 121.76 120.92 1gr2 s ALA 95 Ca 0.03 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.28 1gr2 s ALA 95 Cb 0.12 0.20 -0.20 0.00 0.00 0.00 0.00 23.12 23.24 1gr2 s ALA 95 CO 0.77 -0.24 0.58 -0.25 0.00 0.00 0.00 175.76 176.62 1gr2 n ASP 96 N 0.90 0.49 -3.48 0.00 8.00 -0.11 -4.42 116.55 117.94 1gr2 n ASP 96 Ca -0.19 0.21 -0.15 0.00 0.71 0.00 0.00 54.79 55.37 1gr2 n ASP 96 Cb 0.58 0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 42.36 1gr2 n ASP 96 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1gr2 s ILE 97 N -2.94 0.00 -0.10 0.53 2.07 -1.01 -4.29 121.20 115.46 1gr2 s ILE 97 Ca -0.06 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1gr2 s ILE 97 Cb 0.09 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.69 1gr2 s ILE 97 CO 0.83 0.00 -0.15 0.00 -1.91 0.00 0.00 174.94 173.71 1gr2 s ALA 98 N -2.31 1.63 -0.29 1.50 0.00 0.26 -0.54 121.76 122.01 1gr2 s ALA 98 Ca -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1gr2 s ALA 98 Cb -0.00 -0.78 0.08 0.00 0.00 0.00 0.00 23.12 22.42 1gr2 s ALA 98 CO -0.00 -0.02 0.02 0.42 0.00 0.00 0.00 175.76 176.18 1gr2 s ILE 99 N 0.90 1.52 0.18 0.00 1.01 -1.09 -1.48 121.20 122.24 1gr2 s ILE 99 Ca -0.09 -1.58 -0.22 0.00 0.00 0.00 0.00 60.65 58.77 1gr2 s ILE 99 Cb -0.15 -1.99 0.08 0.00 0.01 0.00 0.00 42.46 40.40 1gr2 s ILE 99 CO -0.00 -0.42 1.05 0.00 0.00 0.00 0.00 174.94 175.57 1gr2 s ALA 100 N 1.33 -1.62 -1.34 9.38 0.00 -1.26 -4.63 121.76 123.62 1gr2 s ALA 100 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.54 1gr2 s ALA 100 Cb -0.18 0.79 -0.11 0.00 0.00 0.00 0.00 23.12 23.61 1gr2 s ALA 100 CO -0.12 -1.07 2.96 -0.35 0.00 0.00 0.00 175.76 177.18 1gr2 n PRO 101 N -0.73 3.32 -3.16 0.00 -0.04 -1.26 -4.71 135.00 128.42 1gr2 n PRO 101 Ca -0.02 -1.96 -0.42 0.00 -0.04 0.00 0.00 63.50 61.05 1gr2 n PRO 101 Cb 0.59 -2.66 -0.07 0.00 -0.04 0.00 0.00 33.50 31.32 1gr2 n PRO 101 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1gr2 s LEU 102 N 0.14 4.47 0.19 1.53 2.96 -1.26 -5.03 118.68 121.68 1gr2 s LEU 102 Ca 0.66 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 54.04 1gr2 s LEU 102 Cb 0.19 -2.67 -0.08 0.00 0.50 0.00 0.00 46.19 44.12 1gr2 s LEU 102 CO -0.05 -0.67 1.28 -0.89 -1.32 0.00 0.00 176.35 174.70 1gr2 s THR 103 N 2.64 3.33 -0.25 3.68 2.01 -1.26 -2.62 115.64 123.16 1gr2 s THR 103 Ca 0.21 1.09 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 1gr2 s THR 103 Cb -0.15 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1gr2 s THR 103 CO 0.17 0.16 1.13 -0.63 -0.69 0.00 0.00 174.62 174.76 1gr2 s ILE 104 N 0.13 4.48 0.11 1.82 1.01 -0.75 -4.93 121.20 123.07 1gr2 s ILE 104 Ca 0.56 1.75 0.02 0.00 0.00 0.00 0.00 60.65 62.98 1gr2 s ILE 104 Cb -0.35 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.82 1gr2 s ILE 104 CO 0.37 -0.30 -0.06 0.42 0.00 0.00 0.00 174.94 175.37 1gr2 s THR 105 N 3.55 0.71 0.23 2.92 -4.23 -1.26 -4.69 115.64 112.86 1gr2 s THR 105 Ca 0.48 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1gr2 s THR 105 Cb -0.16 -1.74 0.22 0.00 1.34 0.00 0.00 72.50 72.16 1gr2 s THR 105 CO 0.13 -0.82 1.90 0.25 -0.54 0.00 0.00 174.62 175.54 1gr2 h LEU 106 N 2.93 1.05 -0.40 4.79 7.12 -1.98 0.93 115.31 129.75 1gr2 h LEU 106 Ca -0.35 -0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.61 1gr2 h LEU 106 Cb 1.17 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 1gr2 h LEU 106 CO 0.64 0.77 0.21 1.62 -0.13 0.00 0.00 178.44 181.56 1gr2 h VAL 107 N 1.23 1.16 -0.21 1.05 3.04 -2.00 -2.31 116.25 118.21 1gr2 h VAL 107 Ca 0.33 -0.42 -0.16 0.00 -1.01 0.00 0.00 66.70 65.44 1gr2 h VAL 107 Cb -0.12 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 1gr2 h VAL 107 CO -0.07 0.17 -0.52 0.03 -1.01 0.00 0.00 177.57 176.17 1gr2 h ARG 108 N 0.51 0.60 0.00 4.17 3.08 -1.88 -3.00 114.38 117.85 1gr2 h ARG 108 Ca 0.14 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1gr2 h ARG 108 Cb 0.08 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1gr2 h ARG 108 CO -0.02 0.97 -0.07 0.93 -1.07 0.00 0.00 179.97 180.71 1gr2 h GLU 109 N 0.46 0.00 0.00 0.04 5.08 -0.49 -0.77 114.58 118.90 1gr2 h GLU 109 Ca 0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1gr2 h GLU 109 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1gr2 h GLU 109 CO 0.10 0.07 -0.24 0.93 -1.00 0.00 0.00 179.01 178.87 1gr2 h GLU 110 N 0.00 0.00 0.00 2.33 5.08 -1.28 -3.30 114.58 117.42 1gr2 h GLU 110 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gr2 h GLU 110 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1gr2 h GLU 110 CO 0.01 0.24 -1.01 1.33 -1.00 0.00 0.00 179.01 178.58 1gr2 n VAL 111 N -3.65 0.00 -4.12 3.13 0.24 -0.39 -5.06 118.33 108.48 1gr2 n VAL 111 Ca -0.01 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 1gr2 n VAL 111 Cb 0.37 0.61 -0.08 0.00 -1.47 0.00 0.00 33.84 33.26 1gr2 n VAL 111 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1gr2 s ILE 112 N -2.36 0.02 -0.06 1.34 -4.36 -0.62 -4.32 121.20 110.83 1gr2 s ILE 112 Ca -0.00 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1gr2 s ILE 112 Cb 0.07 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1gr2 s ILE 112 CO 0.43 -0.07 0.05 -1.81 0.24 0.00 0.00 174.94 173.78 1gr2 s ASP 113 N -3.09 5.58 0.04 4.36 1.01 -0.50 -4.36 116.67 119.71 1gr2 s ASP 113 Ca 0.31 0.20 0.09 0.00 0.71 0.00 0.00 52.55 53.85 1gr2 s ASP 113 Cb 0.05 -1.62 -0.03 0.00 1.01 0.00 0.00 42.92 42.33 1gr2 s ASP 113 CO 0.09 0.34 -0.25 -0.36 0.21 0.00 0.00 175.17 175.21 1gr2 s PHE 114 N -1.02 2.17 1.00 4.23 0.08 -1.26 -1.40 117.98 121.79 1gr2 s PHE 114 Ca 0.17 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.65 1gr2 s PHE 114 Cb -0.12 -1.31 0.23 0.00 -0.57 0.00 0.00 43.02 41.26 1gr2 s PHE 114 CO 0.07 0.10 1.31 -1.13 -0.10 0.00 0.00 175.22 175.46 1gr2 n SER 115 N 1.87 -0.12 -4.75 1.36 3.41 -0.32 -4.93 113.62 110.14 1gr2 n SER 115 Ca -0.17 -1.45 -0.38 0.00 -0.26 0.00 0.00 58.87 56.61 1gr2 n SER 115 Cb 0.52 -1.02 0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1gr2 n SER 115 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1gr2 s LYS 116 N -5.86 3.21 0.25 4.33 0.00 -1.26 -4.58 119.74 115.83 1gr2 s LYS 116 Ca 0.75 2.11 -0.31 0.00 0.00 0.00 0.00 55.97 58.52 1gr2 s LYS 116 Cb -0.02 -2.24 -0.13 0.00 0.00 0.00 0.00 37.83 35.44 1gr2 s LYS 116 CO 0.53 -1.09 1.46 -0.35 0.00 0.00 0.00 175.35 175.89 1gr2 n PRO 117 N -1.01 2.18 0.04 1.78 -0.04 -1.26 -4.63 135.00 132.05 1gr2 n PRO 117 Ca 0.10 0.78 0.12 0.00 -0.04 0.00 0.00 63.50 64.46 1gr2 n PRO 117 Cb 0.46 -2.47 0.24 0.00 -0.04 0.00 0.00 33.50 31.69 1gr2 n PRO 117 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1gr2 n PHE 118 N 2.05 0.33 -3.68 0.54 1.16 0.34 -4.86 117.46 113.34 1gr2 n PHE 118 Ca 0.11 0.10 -0.10 0.00 -1.87 0.00 0.00 57.45 55.69 1gr2 n PHE 118 Cb 0.32 -0.51 -0.09 0.00 -1.61 0.00 0.00 39.48 37.59 1gr2 n PHE 118 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1gr2 s MET 119 N -3.09 0.54 0.32 3.97 0.00 -1.22 -4.96 119.30 114.85 1gr2 s MET 119 Ca 0.09 0.89 -0.10 0.00 0.00 0.00 0.00 55.69 56.56 1gr2 s MET 119 Cb 0.15 0.11 -0.07 0.00 0.00 0.00 0.00 34.83 35.03 1gr2 s MET 119 CO 0.70 -0.13 0.66 -1.12 0.00 0.00 0.00 175.02 175.13 1gr2 s SER 120 N 1.13 6.58 0.17 1.11 0.01 -1.26 -0.62 113.70 120.82 1gr2 s SER 120 Ca -0.07 1.02 -0.24 0.00 1.31 0.00 0.00 55.95 57.97 1gr2 s SER 120 Cb -0.06 -2.27 0.06 0.00 0.21 0.00 0.00 66.02 63.96 1gr2 s SER 120 CO -0.11 -0.24 0.95 -1.48 0.41 0.00 0.00 173.24 172.77 1gr2 s LEU 121 N -3.36 -0.16 -0.00 2.44 -0.00 -0.56 -4.80 118.68 112.23 1gr2 s LEU 121 Ca 0.49 -0.45 -0.24 0.00 -0.00 0.00 0.00 54.13 53.94 1gr2 s LEU 121 Cb -0.11 2.20 0.05 0.00 -0.00 0.00 0.00 46.19 48.34 1gr2 s LEU 121 CO 0.26 -0.95 0.53 -0.83 -0.00 0.00 0.00 176.35 175.35 1gr2 s GLY 122 N -2.98 -0.41 0.29 -3.48 0.00 -1.26 -1.18 107.32 98.30 1gr2 s GLY 122 Ca 0.13 0.78 -0.30 0.00 0.00 0.00 0.00 44.72 45.33 1gr2 s GLY 122 CO 0.03 0.48 1.55 -0.42 0.00 0.00 0.00 173.10 174.74 1gr2 s ILE 123 N -1.76 2.20 0.26 0.90 1.01 -1.26 -0.35 121.20 122.20 1gr2 s ILE 123 Ca -0.09 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1gr2 s ILE 123 Cb -0.01 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1gr2 s ILE 123 CO 0.04 0.03 0.17 -0.94 0.00 0.00 0.00 174.94 174.24 1gr2 s SER 124 N 0.39 0.94 -0.16 3.58 1.04 0.13 -0.05 113.70 119.58 1gr2 s SER 124 Ca 0.61 -1.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 1gr2 s SER 124 Cb -0.46 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1gr2 s SER 124 CO 0.48 -0.90 -0.04 -0.63 0.98 0.00 0.00 173.24 173.14 1gr2 s ILE 125 N -3.82 3.82 -0.16 -1.02 1.01 -1.26 -1.93 121.20 117.83 1gr2 s ILE 125 Ca 0.38 -0.38 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1gr2 s ILE 125 Cb 0.05 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1gr2 s ILE 125 CO 0.17 0.49 -0.10 -0.32 0.00 0.00 0.00 174.94 175.18 1gr2 s MET 126 N 0.47 3.39 0.25 2.79 -2.45 -0.11 -1.31 119.30 122.33 1gr2 s MET 126 Ca -0.04 -0.65 0.06 0.00 -1.25 0.00 0.00 55.69 53.80 1gr2 s MET 126 Cb -0.14 -2.78 -0.05 0.00 1.25 0.00 0.00 34.83 33.10 1gr2 s MET 126 CO 0.03 0.06 -0.05 0.96 1.05 0.00 0.00 175.02 177.07 1gr2 s ILE 127 N 0.76 1.44 -2.00 10.11 -4.36 0.26 -1.20 121.20 126.20 1gr2 s ILE 127 Ca -0.04 -2.10 0.14 0.00 -0.26 0.00 0.00 60.65 58.39 1gr2 s ILE 127 Cb -0.15 -2.35 0.40 0.00 1.25 0.00 0.00 42.46 41.62 1gr2 s ILE 127 CO 0.01 -0.36 1.36 1.17 0.24 0.00 0.00 174.94 177.37 1gr2 n LYS 128 N -0.49 0.73 0.00 0.37 4.81 -1.26 -0.35 118.16 121.96 1gr2 n LYS 128 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1gr2 n LYS 128 Cb 0.63 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.38 1gr2 n LYS 128 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1gr2 n GLU 138 N -0.80 0.00 -3.82 1.64 -0.58 -1.26 -4.74 120.64 111.08 1gr2 n GLU 138 Ca 0.11 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1gr2 n GLU 138 Cb 0.05 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.91 1gr2 n GLU 138 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1gr2 s SER 139 N -0.69 -0.17 0.09 1.62 0.15 -1.26 -4.04 113.70 109.40 1gr2 s SER 139 Ca 0.00 -0.64 -0.16 0.00 0.70 0.00 0.00 55.95 55.85 1gr2 s SER 139 Cb 0.00 0.66 -0.09 0.00 -1.71 0.00 0.00 66.02 64.88 1gr2 s SER 139 CO 0.00 -1.24 1.42 0.00 1.20 0.00 0.00 173.24 174.62 1gr2 h ALA 140 N 2.00 0.39 -0.71 5.45 0.00 -1.93 -2.19 119.26 122.27 1gr2 h ALA 140 Ca -0.23 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.38 1gr2 h ALA 140 Cb 1.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1gr2 h ALA 140 CO 0.28 0.34 0.47 1.05 0.00 0.00 0.00 179.25 181.38 1gr2 h GLU 141 N 0.35 0.72 -0.52 0.00 4.11 -1.96 0.10 114.58 117.38 1gr2 h GLU 141 Ca 0.05 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1gr2 h GLU 141 Cb 0.76 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1gr2 h GLU 141 CO 0.06 0.47 -0.00 -0.44 0.07 0.00 0.00 179.01 179.17 1gr2 h ASP 142 N 0.74 0.90 -0.58 3.06 3.32 -1.88 -2.13 116.42 119.85 1gr2 h ASP 142 Ca 0.31 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1gr2 h ASP 142 Cb 0.27 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1gr2 h ASP 142 CO -0.10 0.99 0.15 -0.07 -1.72 0.00 0.00 179.24 178.48 1gr2 h LEU 143 N 0.79 0.87 0.18 1.55 3.38 -0.32 -3.08 115.31 118.68 1gr2 h LEU 143 Ca 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1gr2 h LEU 143 Cb 0.53 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1gr2 h LEU 143 CO 0.03 0.87 -0.09 0.77 0.09 0.00 0.00 178.44 180.11 1gr2 h SER 144 N 0.83 -0.21 0.00 -0.43 4.64 -0.74 -2.86 113.55 114.78 1gr2 h SER 144 Ca 0.18 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1gr2 h SER 144 Cb 0.34 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1gr2 h SER 144 CO 0.00 -0.04 0.00 2.29 -0.87 0.00 0.00 176.83 178.21 1gr2 n LYS 145 N -5.14 0.74 -4.27 4.77 0.00 -0.82 -4.77 118.16 108.67 1gr2 n LYS 145 Ca -0.09 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.95 1gr2 n LYS 145 Cb 0.16 -1.03 -0.06 0.00 -0.00 0.00 0.00 35.03 34.10 1gr2 n LYS 145 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1gr2 s GLN 146 N -1.93 2.20 0.00 -1.58 -1.52 -1.08 -5.07 119.66 110.68 1gr2 s GLN 146 Ca 0.00 -2.04 0.00 0.00 -1.95 0.00 0.00 55.36 51.37 1gr2 s GLN 146 Cb 0.00 -1.87 0.00 0.00 -0.22 0.00 0.00 33.01 30.92 1gr2 s GLN 146 CO 0.00 -0.27 0.00 2.41 -0.25 0.00 0.00 175.29 177.18 1gr2 n THR 147 N -1.33 0.00 0.07 -0.19 -1.04 -1.26 -4.91 114.28 105.61 1gr2 n THR 147 Ca -0.06 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.93 1gr2 n THR 147 Cb 0.65 0.77 -0.07 0.00 -1.82 0.00 0.00 70.33 69.86 1gr2 n THR 147 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1gr2 h GLU 148 N 0.00 0.00 -4.69 -2.82 5.08 -1.98 -3.43 114.58 106.74 1gr2 h GLU 148 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1gr2 h GLU 148 Cb 0.02 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.08 1gr2 h GLU 148 CO 0.00 0.59 -0.48 0.42 -1.00 0.00 0.00 179.01 178.54 1gr2 s ILE 149 N -2.83 5.27 0.58 3.13 1.01 -1.26 -4.88 121.20 122.21 1gr2 s ILE 149 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 1gr2 s ILE 149 Cb 0.09 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1gr2 s ILE 149 CO 0.79 -0.04 1.08 0.00 0.00 0.00 0.00 174.94 176.78 1gr2 s ALA 150 N 1.72 2.69 -0.03 9.38 0.00 -0.04 -4.85 121.76 130.61 1gr2 s ALA 150 Ca 0.06 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 1gr2 s ALA 150 Cb -0.18 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.69 1gr2 s ALA 150 CO 0.10 -0.82 0.43 1.52 0.00 0.00 0.00 175.76 176.99 1gr2 s TYR 151 N -2.17 -0.34 0.29 0.00 1.13 -1.26 -0.92 117.35 114.08 1gr2 s TYR 151 Ca 0.67 0.58 -0.13 0.00 -1.41 0.00 0.00 57.07 56.79 1gr2 s TYR 151 Cb -0.19 0.20 0.05 0.00 -1.10 0.00 0.00 41.96 40.91 1gr2 s TYR 151 CO 0.32 -0.45 0.66 0.41 -2.51 0.00 0.00 175.55 173.98 1gr2 n GLY 152 N 1.24 1.13 0.32 5.49 0.00 -1.11 -4.78 105.19 107.48 1gr2 n GLY 152 Ca -0.20 -1.19 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 1gr2 n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gr2 n THR 153 N -0.45 0.00 -2.09 2.61 -2.24 -1.25 -1.42 114.28 109.44 1gr2 n THR 153 Ca -0.06 -0.22 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1gr2 n THR 153 Cb 0.47 0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.78 1gr2 n THR 153 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1gr2 s LEU 154 N 0.00 3.52 0.00 3.22 1.43 -1.26 -1.77 118.68 123.82 1gr2 s LEU 154 Ca 0.01 1.80 0.16 0.00 -1.03 0.00 0.00 54.13 55.07 1gr2 s LEU 154 Cb 0.00 -4.53 0.77 0.00 0.03 0.00 0.00 46.19 42.46 1gr2 s LEU 154 CO 0.01 -1.10 1.46 -0.90 0.23 0.00 0.00 176.35 176.05 1gr2 n ASP 155 N -1.96 0.00 -3.49 2.29 5.75 0.39 -4.58 116.55 114.95 1gr2 n ASP 155 Ca 0.09 0.16 -0.12 0.00 -0.01 0.00 0.00 54.79 54.91 1gr2 n ASP 155 Cb 0.53 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1gr2 n ASP 155 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1gr2 s SER 156 N -2.67 -0.47 0.00 -1.12 1.04 -1.26 -5.07 113.70 104.15 1gr2 s SER 156 Ca 0.13 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1gr2 s SER 156 Cb 0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1gr2 s SER 156 CO 0.25 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1gr2 n GLY 157 N -0.28 1.47 0.28 7.32 0.00 -1.26 -4.68 105.19 108.03 1gr2 n GLY 157 Ca -0.17 -2.20 -0.02 0.00 0.00 0.00 0.00 46.02 43.63 1gr2 n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gr2 h SER 158 N 0.00 0.63 -0.29 1.61 4.64 -1.98 -1.16 113.55 117.00 1gr2 h SER 158 Ca 0.00 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1gr2 h SER 158 Cb 0.00 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1gr2 h SER 158 CO 0.00 0.69 -0.03 0.74 -0.87 0.00 0.00 176.83 177.37 1gr2 h THR 159 N 0.64 1.27 -0.63 2.95 2.02 -1.96 0.35 112.91 117.55 1gr2 h THR 159 Ca 0.13 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.25 1gr2 h THR 159 Cb 0.38 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1gr2 h THR 159 CO 0.01 0.32 0.17 0.50 0.37 0.00 0.00 175.52 176.89 1gr2 h LYS 160 N 0.31 1.00 -0.53 6.66 3.64 -1.75 -2.75 116.57 123.15 1gr2 h LYS 160 Ca 0.08 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1gr2 h LYS 160 Cb 0.48 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1gr2 h LYS 160 CO 0.02 0.90 0.10 0.93 -2.27 0.00 0.00 179.45 179.13 1gr2 h GLU 161 N 0.92 0.83 -0.29 1.90 4.39 -1.05 -0.34 114.58 120.94 1gr2 h GLU 161 Ca 0.20 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1gr2 h GLU 161 Cb 0.34 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1gr2 h GLU 161 CO -0.00 0.76 0.18 0.35 -1.16 0.00 0.00 179.01 179.14 1gr2 h PHE 162 N 0.79 0.34 -0.23 4.33 3.57 -0.64 -1.21 116.94 123.90 1gr2 h PHE 162 Ca 0.17 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 1gr2 h PHE 162 Cb 0.33 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1gr2 h PHE 162 CO 0.02 0.21 -0.11 0.74 -2.23 0.00 0.00 178.31 176.94 1gr2 h PHE 163 N 0.37 0.54 -0.87 0.41 0.04 -1.26 -2.09 116.94 114.09 1gr2 h PHE 163 Ca 0.11 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.79 1gr2 h PHE 163 Cb -0.02 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 1gr2 h PHE 163 CO -0.07 0.75 0.56 -0.09 -0.60 0.00 0.00 178.31 178.86 1gr2 h ARG 164 N 0.18 1.05 -0.02 1.51 2.43 -0.89 -3.02 114.38 115.62 1gr2 h ARG 164 Ca 0.05 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1gr2 h ARG 164 Cb 0.60 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1gr2 h ARG 164 CO 0.03 0.69 -0.07 -2.13 -1.51 0.00 0.00 179.97 176.99 1gr2 n ARG 165 N -4.55 1.92 -2.22 0.20 0.63 -0.47 -4.98 116.66 107.18 1gr2 n ARG 165 Ca 0.11 -1.45 -0.42 0.00 -0.92 0.00 0.00 57.85 55.17 1gr2 n ARG 165 Cb 0.10 -1.47 -0.03 0.00 0.45 0.00 0.00 32.46 31.51 1gr2 n ARG 165 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1gr2 s SER 166 N -2.08 6.88 0.00 6.15 0.15 -0.79 -4.92 113.70 119.09 1gr2 s SER 166 Ca 0.30 2.28 0.26 0.00 0.70 0.00 0.00 55.95 59.49 1gr2 s SER 166 Cb 0.20 -2.59 0.65 0.00 -1.71 0.00 0.00 66.02 62.57 1gr2 s SER 166 CO 0.35 -0.60 1.51 0.29 1.20 0.00 0.00 173.24 175.99 1gr2 n LYS 167 N 3.75 1.72 -2.67 5.44 4.01 -1.26 -4.42 118.16 124.73 1gr2 n LYS 167 Ca 0.10 -1.20 -0.43 0.00 -0.51 0.00 0.00 58.31 56.27 1gr2 n LYS 167 Cb 0.43 -1.48 -0.02 0.00 -0.51 0.00 0.00 35.03 33.45 1gr2 n LYS 167 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1gr2 s ILE 168 N -2.11 4.73 0.17 -0.18 1.01 -1.26 -4.94 121.20 118.62 1gr2 s ILE 168 Ca 0.31 2.02 -0.20 0.00 0.00 0.00 0.00 60.65 62.78 1gr2 s ILE 168 Cb 0.20 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.46 1gr2 s ILE 168 CO 0.37 -0.05 1.34 0.00 0.00 0.00 0.00 174.94 176.60 1gr2 n ALA 169 N 5.39 -0.31 -0.36 9.38 0.00 -1.26 -1.06 120.51 132.28 1gr2 n ALA 169 Ca 0.10 0.80 -0.01 0.00 0.00 0.00 0.00 53.44 54.33 1gr2 n ALA 169 Cb 0.48 -0.27 0.12 0.00 0.00 0.00 0.00 19.45 19.79 1gr2 n ALA 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gr2 h VAL 170 N 0.00 1.20 0.02 0.00 2.07 -1.98 -1.43 116.25 116.12 1gr2 h VAL 170 Ca 0.23 -0.44 -0.20 0.00 0.82 0.00 0.00 66.70 67.11 1gr2 h VAL 170 Cb 0.44 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1gr2 h VAL 170 CO -0.84 0.23 -0.93 -0.26 0.02 0.00 0.00 177.57 175.79 1gr2 h PHE 171 N 1.27 0.24 -0.36 1.57 0.04 -1.76 -2.30 116.94 115.63 1gr2 h PHE 171 Ca 0.38 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 1gr2 h PHE 171 Cb -0.06 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 1gr2 h PHE 171 CO -0.00 0.99 0.21 0.22 -0.60 0.00 0.00 178.31 179.13 1gr2 h ASP 172 N 0.07 0.44 -0.62 2.17 1.82 -0.80 -0.09 116.42 119.41 1gr2 h ASP 172 Ca -0.04 -0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.48 1gr2 h ASP 172 Cb 1.59 -0.11 -0.03 0.00 0.68 0.00 0.00 39.33 41.46 1gr2 h ASP 172 CO 0.14 0.37 0.20 0.50 -1.61 0.00 0.00 179.24 178.84 1gr2 h LYS 173 N 0.47 0.97 -0.68 0.28 3.64 -1.24 -1.12 116.57 118.88 1gr2 h LYS 173 Ca 0.13 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1gr2 h LYS 173 Cb 0.02 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1gr2 h LYS 173 CO -0.02 0.85 0.23 0.52 -2.27 0.00 0.00 179.45 178.76 1gr2 h MET 174 N 0.89 1.04 -0.24 1.90 2.86 -1.04 -1.78 114.93 118.56 1gr2 h MET 174 Ca 0.20 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1gr2 h MET 174 Cb 0.29 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1gr2 h MET 174 CO -0.01 0.89 0.04 2.35 1.06 0.00 0.00 176.91 181.24 1gr2 h TRP 175 N 0.98 0.43 -0.96 -0.22 -0.00 -0.78 0.19 115.95 115.58 1gr2 h TRP 175 Ca 0.22 -0.06 0.09 0.00 -0.00 0.00 0.00 58.89 59.14 1gr2 h TRP 175 Cb 0.27 -0.12 -0.07 0.00 -0.00 0.00 0.00 29.16 29.24 1gr2 h TRP 175 CO 0.02 0.53 0.62 1.15 -0.00 0.00 0.00 178.44 180.75 1gr2 h THR 176 N 0.21 1.00 -0.10 2.65 2.02 -1.08 -0.06 112.91 117.55 1gr2 h THR 176 Ca 0.07 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1gr2 h THR 176 Cb 0.33 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1gr2 h THR 176 CO 0.01 0.19 -0.13 0.22 0.37 0.00 0.00 175.52 176.18 1gr2 h TYR 177 N 1.02 0.32 -0.24 3.16 3.20 -0.93 -3.26 116.97 120.24 1gr2 h TYR 177 Ca 0.44 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 1gr2 h TYR 177 Cb 0.34 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1gr2 h TYR 177 CO -0.00 0.71 0.08 0.52 -1.64 0.00 0.00 178.16 177.83 1gr2 h MET 178 N -0.16 0.37 -0.35 1.82 2.86 -0.46 -2.61 114.93 116.40 1gr2 h MET 178 Ca 0.01 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1gr2 h MET 178 Cb 0.66 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1gr2 h MET 178 CO 0.03 0.44 0.24 0.07 1.06 0.00 0.00 176.91 178.75 1gr2 h ARG 179 N 0.23 0.26 -0.14 1.72 0.11 -1.13 -2.88 114.38 112.56 1gr2 h ARG 179 Ca 0.08 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.09 1gr2 h ARG 179 Cb 0.21 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 31.20 1gr2 h ARG 179 CO -0.00 0.17 -0.21 -1.13 0.10 0.00 0.00 179.97 178.90 1gr2 n SER 180 N -4.48 2.32 -4.72 0.08 3.41 -1.21 -5.02 113.62 104.00 1gr2 n SER 180 Ca 0.04 -3.60 -0.40 0.00 -0.26 0.00 0.00 58.87 54.65 1gr2 n SER 180 Cb 0.23 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 1gr2 n SER 180 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gr2 s ALA 181 N -3.12 3.33 -0.15 7.33 0.00 -0.99 -5.06 121.76 123.10 1gr2 s ALA 181 Ca 0.39 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1gr2 s ALA 181 Cb 0.36 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1gr2 s ALA 181 CO -0.01 -0.11 -0.20 -1.83 0.00 0.00 0.00 175.76 173.61 1gr2 s GLU 182 N 0.81 3.05 1.02 0.00 -1.05 -1.26 -3.10 118.70 118.16 1gr2 s GLU 182 Ca 0.38 -0.83 -0.14 0.00 -0.15 0.00 0.00 54.97 54.23 1gr2 s GLU 182 Cb -0.18 -2.50 0.20 0.00 -0.44 0.00 0.00 34.13 31.20 1gr2 s GLU 182 CO 0.19 -0.06 1.12 -1.25 0.95 0.00 0.00 175.26 176.21 1gr2 s PRO 183 N 0.94 0.29 0.26 -4.83 0.04 -1.26 -5.09 135.00 125.35 1gr2 s PRO 183 Ca -0.04 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 60.97 1gr2 s PRO 183 Cb -0.15 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.51 1gr2 s PRO 183 CO -0.04 -2.77 1.15 0.45 0.04 0.00 0.00 177.00 175.83 1gr2 n SER 184 N -4.16 1.76 -0.73 6.66 2.88 -1.18 -4.92 113.62 113.93 1gr2 n SER 184 Ca 0.08 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.89 1gr2 n SER 184 Cb 0.58 -1.32 0.05 0.00 -0.75 0.00 0.00 64.21 62.78 1gr2 n SER 184 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1gr2 n VAL 185 N 0.85 0.00 -2.85 2.46 0.24 -1.26 -4.96 118.33 112.80 1gr2 n VAL 185 Ca 0.11 -0.41 -0.28 0.00 -2.04 0.00 0.00 64.34 61.72 1gr2 n VAL 185 Cb 0.31 1.38 -0.01 0.00 -1.47 0.00 0.00 33.84 34.05 1gr2 n VAL 185 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1gr2 s PHE 186 N -2.09 3.52 0.19 6.34 0.08 -1.26 -3.64 117.98 121.12 1gr2 s PHE 186 Ca 0.23 0.80 0.02 0.00 0.12 0.00 0.00 56.93 58.10 1gr2 s PHE 186 Cb 0.18 -2.27 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 1gr2 s PHE 186 CO 0.39 -0.14 0.01 0.14 -0.10 0.00 0.00 175.22 175.52 1gr2 s VAL 187 N -2.53 0.78 -0.14 -0.44 -7.23 -0.73 -4.92 120.40 105.20 1gr2 s VAL 187 Ca 0.47 -2.00 0.18 0.00 -1.81 0.00 0.00 61.98 58.82 1gr2 s VAL 187 Cb -0.10 -2.22 -0.25 0.00 0.56 0.00 0.00 36.38 34.37 1gr2 s VAL 187 CO 0.39 -0.40 0.34 0.54 -0.31 0.00 0.00 175.10 175.66 1gr2 n ARG 188 N -0.31 0.67 -4.29 4.82 1.74 -1.26 -0.46 116.66 117.57 1gr2 n ARG 188 Ca -0.06 0.01 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 1gr2 n ARG 188 Cb 0.64 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1gr2 n ARG 188 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1gr2 s THR 189 N -2.82 0.38 0.09 0.55 -4.23 -1.26 -4.80 115.64 103.55 1gr2 s THR 189 Ca -0.08 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.25 1gr2 s THR 189 Cb 0.09 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 71.26 1gr2 s THR 189 CO 0.85 0.00 1.55 0.74 -0.54 0.00 0.00 174.62 177.21 1gr2 h THR 190 N 2.42 1.24 -0.96 3.99 2.02 -1.99 -2.26 112.91 117.36 1gr2 h THR 190 Ca -0.37 -0.83 0.13 0.00 0.77 0.00 0.00 66.41 66.11 1gr2 h THR 190 Cb 1.25 1.29 -0.08 0.00 -1.74 0.00 0.00 68.15 68.86 1gr2 h THR 190 CO 0.58 0.26 0.61 0.00 0.37 0.00 0.00 175.52 177.34 1gr2 h ALA 191 N 0.84 1.64 -0.36 6.16 0.00 -1.99 0.69 119.26 126.25 1gr2 h ALA 191 Ca 0.08 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1gr2 h ALA 191 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gr2 h ALA 191 CO 0.01 0.10 -0.40 1.49 0.00 0.00 0.00 179.25 180.45 1gr2 h GLU 192 N 0.87 0.91 -0.17 0.00 4.81 -1.88 -0.75 114.58 118.37 1gr2 h GLU 192 Ca 0.49 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1gr2 h GLU 192 Cb 0.60 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1gr2 h GLU 192 CO -0.25 1.15 0.04 0.78 -0.73 0.00 0.00 179.01 179.99 1gr2 h GLY 193 N 0.72 0.29 0.57 1.92 0.00 -0.70 -1.00 103.07 104.87 1gr2 h GLY 193 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.24 1gr2 h GLY 193 CO 0.10 0.17 -0.04 -2.08 0.00 0.00 0.00 176.54 174.69 1gr2 h VAL 194 N 0.08 0.79 -0.51 4.60 2.07 -0.87 -0.85 116.25 121.55 1gr2 h VAL 194 Ca 0.05 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1gr2 h VAL 194 Cb 0.27 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1gr2 h VAL 194 CO 0.00 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.91 1gr2 h ALA 195 N 1.22 0.66 -0.94 1.67 0.00 -1.11 -1.31 119.26 119.46 1gr2 h ALA 195 Ca 0.11 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1gr2 h ALA 195 Cb 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1gr2 h ALA 195 CO -0.22 0.02 0.59 -0.09 0.00 0.00 0.00 179.25 179.55 1gr2 h ARG 196 N 0.62 1.02 0.47 0.00 2.43 -0.40 -1.34 114.38 117.19 1gr2 h ARG 196 Ca 0.20 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1gr2 h ARG 196 Cb 0.01 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1gr2 h ARG 196 CO -0.09 0.68 -0.23 0.28 -1.51 0.00 0.00 179.97 179.10 1gr2 h VAL 197 N 1.05 0.52 -0.84 0.20 2.07 -0.45 -2.46 116.25 116.34 1gr2 h VAL 197 Ca 0.42 -0.20 0.14 0.00 0.82 0.00 0.00 66.70 67.88 1gr2 h VAL 197 Cb 0.22 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 1gr2 h VAL 197 CO -0.19 0.04 0.55 0.03 0.02 0.00 0.00 177.57 178.01 1gr2 h ARG 198 N -0.76 0.59 -0.02 1.57 3.08 -0.59 -1.98 114.38 116.27 1gr2 h ARG 198 Ca -0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1gr2 h ARG 198 Cb 0.54 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1gr2 h ARG 198 CO 0.11 0.39 -0.03 1.63 -1.07 0.00 0.00 179.97 180.99 1gr2 n LYS 199 N -4.53 2.00 -0.30 0.04 5.02 -0.57 -4.36 118.16 115.46 1gr2 n LYS 199 Ca 0.16 -1.51 0.08 0.00 -2.02 0.00 0.00 58.31 55.02 1gr2 n LYS 199 Cb 0.48 -1.47 0.23 0.00 -0.02 0.00 0.00 35.03 34.25 1gr2 n LYS 199 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1gr2 n SER 200 N 0.82 2.90 -4.36 4.39 7.64 -0.74 -4.96 113.62 119.30 1gr2 n SER 200 Ca 0.15 -2.07 -0.33 0.00 1.01 0.00 0.00 58.87 57.63 1gr2 n SER 200 Cb 0.50 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.24 1gr2 n SER 200 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1gr2 n LYS 201 N 0.94 -0.95 -0.88 1.43 4.01 -1.26 -0.15 118.16 121.29 1gr2 n LYS 201 Ca 0.17 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 1gr2 n LYS 201 Cb 0.48 -3.82 0.00 0.00 -0.51 0.00 0.00 35.03 31.18 1gr2 n LYS 201 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1gr2 n GLY 202 N -2.28 0.70 0.97 0.72 0.00 -1.26 -4.92 105.19 99.11 1gr2 n GLY 202 Ca -0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1gr2 n GLY 202 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gr2 n LYS 203 N -2.57 2.32 -3.72 1.61 4.76 0.79 -4.82 118.16 116.53 1gr2 n LYS 203 Ca 0.00 -2.12 -0.17 0.00 -2.87 0.00 0.00 58.31 53.15 1gr2 n LYS 203 Cb 0.00 -1.43 -0.16 0.00 -1.84 0.00 0.00 35.03 31.60 1gr2 n LYS 203 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1gr2 s TYR 204 N -1.26 -0.02 -0.15 2.13 5.04 -1.25 -0.86 117.35 120.97 1gr2 s TYR 204 Ca 0.33 0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 55.23 1gr2 s TYR 204 Cb 0.19 -0.30 -0.03 0.00 0.35 0.00 0.00 41.96 42.17 1gr2 s TYR 204 CO 0.26 -0.17 -0.05 0.00 -1.34 0.00 0.00 175.55 174.26 1gr2 s ALA 205 N 1.67 2.95 -0.25 3.97 0.00 -0.09 -4.62 121.76 125.39 1gr2 s ALA 205 Ca -0.02 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 1gr2 s ALA 205 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1gr2 s ALA 205 CO -0.04 0.23 0.13 -0.47 0.00 0.00 0.00 175.76 175.61 1gr2 s TYR 206 N 0.32 3.20 -0.33 0.00 5.04 -0.34 -2.76 117.35 122.49 1gr2 s TYR 206 Ca -0.05 -0.03 -0.20 0.00 -2.44 0.00 0.00 57.07 54.36 1gr2 s TYR 206 Cb -0.14 -2.27 -0.00 0.00 0.35 0.00 0.00 41.96 39.90 1gr2 s TYR 206 CO 0.03 -0.12 0.61 -0.51 -1.34 0.00 0.00 175.55 174.22 1gr2 s LEU 207 N 1.34 4.21 0.31 6.97 1.43 -0.51 -0.93 118.68 131.51 1gr2 s LEU 207 Ca 0.06 0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1gr2 s LEU 207 Cb -0.15 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.31 1gr2 s LEU 207 CO 0.06 -0.52 0.49 -1.48 0.23 0.00 0.00 176.35 175.13 1gr2 s LEU 208 N 2.61 0.71 0.21 1.79 2.34 -0.81 -4.53 118.68 121.01 1gr2 s LEU 208 Ca 0.24 -1.28 -0.30 0.00 0.06 0.00 0.00 54.13 52.84 1gr2 s LEU 208 Cb -0.15 1.65 -0.09 0.00 -0.56 0.00 0.00 46.19 47.04 1gr2 s LEU 208 CO 0.13 -1.27 1.32 -1.61 -1.06 0.00 0.00 176.35 173.86 1gr2 s GLU 209 N -3.31 4.38 0.50 1.48 2.02 -1.26 0.19 118.70 122.70 1gr2 s GLU 209 Ca 0.27 2.08 0.27 0.00 0.02 0.00 0.00 54.97 57.60 1gr2 s GLU 209 Cb -0.01 -3.18 1.36 0.00 0.10 0.00 0.00 34.13 32.40 1gr2 s GLU 209 CO 0.16 -0.26 1.90 0.66 0.02 0.00 0.00 175.26 177.74 1gr2 h SER 210 N 5.23 0.11 0.05 -0.19 4.64 -1.00 -0.90 113.55 121.50 1gr2 h SER 210 Ca -0.45 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1gr2 h SER 210 Cb 1.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1gr2 h SER 210 CO 0.77 0.04 -0.03 0.71 -0.87 0.00 0.00 176.83 177.45 1gr2 h THR 211 N 0.11 0.96 -0.32 2.95 1.35 -1.87 0.23 112.91 116.31 1gr2 h THR 211 Ca 0.41 -0.02 -0.12 0.00 -0.55 0.00 0.00 66.41 66.13 1gr2 h THR 211 Cb 1.46 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1gr2 h THR 211 CO -0.05 0.01 -0.30 0.24 -0.25 0.00 0.00 175.52 175.16 1gr2 h MET 212 N -0.08 0.69 -0.30 4.72 2.86 -1.66 -2.12 114.93 119.04 1gr2 h MET 212 Ca -0.01 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1gr2 h MET 212 Cb 0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1gr2 h MET 212 CO 0.01 0.91 0.18 -0.97 1.06 0.00 0.00 176.91 178.10 1gr2 h ASN 213 N 0.59 0.30 -0.84 1.22 -0.73 -0.81 -0.15 115.58 115.16 1gr2 h ASN 213 Ca 0.07 -0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 1gr2 h ASN 213 Cb 0.81 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 39.30 1gr2 h ASN 213 CO 0.07 0.22 0.41 -0.33 -0.37 0.00 0.00 177.43 177.42 1gr2 h GLU 214 N 0.37 1.21 -0.07 6.67 5.08 -0.48 -2.36 114.58 125.00 1gr2 h GLU 214 Ca 0.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1gr2 h GLU 214 Cb -0.01 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1gr2 h GLU 214 CO -0.05 0.93 0.02 -0.92 -1.00 0.00 0.00 179.01 177.99 1gr2 h TYR 215 N 1.19 0.11 -0.05 4.33 3.20 -0.93 -3.06 116.97 121.76 1gr2 h TYR 215 Ca 0.29 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1gr2 h TYR 215 Cb 0.12 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1gr2 h TYR 215 CO 0.01 0.28 -0.13 0.82 -1.64 0.00 0.00 178.16 177.50 1gr2 h ILE 216 N -0.09 1.13 0.00 1.81 1.08 -0.92 -1.60 117.51 118.92 1gr2 h ILE 216 Ca 0.02 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1gr2 h ILE 216 Cb 0.22 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1gr2 h ILE 216 CO -0.00 0.17 -0.09 -0.08 -0.69 0.00 0.00 178.15 177.46 1gr2 h GLU 217 N 0.08 0.00 -0.65 2.37 4.81 -1.32 -1.68 114.58 118.19 1gr2 h GLU 217 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1gr2 h GLU 217 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1gr2 h GLU 217 CO 0.02 0.09 0.00 1.04 -0.73 0.00 0.00 179.01 179.43 1gr2 n GLN 218 N -4.00 3.60 -4.72 1.92 1.13 -0.60 -4.75 117.38 109.95 1gr2 n GLN 218 Ca -0.02 -2.63 -0.33 0.00 -1.94 0.00 0.00 57.00 52.07 1gr2 n GLN 218 Cb 0.18 -1.88 -0.12 0.00 0.11 0.00 0.00 30.24 28.52 1gr2 n GLN 218 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1gr2 s ARG 219 N -1.90 2.87 0.54 -1.09 1.81 -0.63 0.28 118.95 120.83 1gr2 s ARG 219 Ca 0.47 -0.62 -0.21 0.00 -1.72 0.00 0.00 55.73 53.65 1gr2 s ARG 219 Cb 0.31 -2.56 -0.06 0.00 -0.45 0.00 0.00 34.95 32.19 1gr2 s ARG 219 CO 0.22 0.53 1.21 1.63 -0.68 0.00 0.00 175.30 178.21 1gr2 n LYS 220 N 2.60 1.45 0.00 3.54 5.02 -1.26 -0.22 118.16 129.29 1gr2 n LYS 220 Ca -0.18 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1gr2 n LYS 220 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 1gr2 n LYS 220 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1gr2 n PRO 221 N -0.82 0.94 -3.87 1.97 -0.04 -1.26 -4.95 135.00 126.97 1gr2 n PRO 221 Ca 0.11 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.30 1gr2 n PRO 221 Cb 0.44 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1gr2 n PRO 221 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gr2 n ASP 223 N -2.93 2.55 -4.56 0.00 5.75 -1.26 -5.02 116.55 111.08 1gr2 n ASP 223 Ca -0.14 -2.42 -0.25 0.00 -0.01 0.00 0.00 54.79 51.96 1gr2 n ASP 223 Cb 0.61 -0.23 -0.09 0.00 -1.03 0.00 0.00 41.12 40.37 1gr2 n ASP 223 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1gr2 s THR 224 N -1.74 3.05 -0.07 2.12 -4.23 -1.26 -4.47 115.64 109.03 1gr2 s THR 224 Ca 0.19 -1.89 -0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1gr2 s THR 224 Cb 0.14 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1gr2 s THR 224 CO 0.05 -0.23 0.37 -0.32 -0.54 0.00 0.00 174.62 173.95 1gr2 s MET 225 N -3.14 0.60 -0.09 3.99 1.75 0.52 -4.65 119.30 118.27 1gr2 s MET 225 Ca 0.27 0.15 -0.17 0.00 -1.25 0.00 0.00 55.69 54.69 1gr2 s MET 225 Cb -0.07 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.82 1gr2 s MET 225 CO 0.16 -0.14 0.46 0.21 -0.65 0.00 0.00 175.02 175.06 1gr2 s LYS 226 N -0.65 4.26 -0.03 4.11 2.20 -1.26 -0.58 119.74 127.79 1gr2 s LYS 226 Ca -0.07 0.43 0.07 0.00 -0.36 0.00 0.00 55.97 56.04 1gr2 s LYS 226 Cb -0.04 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1gr2 s LYS 226 CO 0.03 0.27 -0.24 0.14 -0.36 0.00 0.00 175.35 175.19 1gr2 s VAL 227 N 0.25 1.93 0.07 4.02 -7.23 -0.43 -4.98 120.40 114.04 1gr2 s VAL 227 Ca 0.25 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1gr2 s VAL 227 Cb -0.15 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.17 1gr2 s VAL 227 CO 0.11 0.54 0.00 0.61 -0.31 0.00 0.00 175.10 176.05 1gr2 n GLY 228 N 2.65 -1.69 3.91 2.32 0.00 -1.26 -4.11 105.19 107.01 1gr2 n GLY 228 Ca -0.16 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 1gr2 n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gr2 s GLY 229 N -4.03 1.64 0.48 -0.02 0.00 -1.26 -4.88 107.32 99.25 1gr2 s GLY 229 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 43.72 1gr2 s GLY 229 CO 0.00 -0.24 1.00 -1.31 0.00 0.00 0.00 173.10 172.55 1gr2 s ASN 230 N -4.66 6.53 0.28 1.64 0.01 -1.26 -4.76 114.94 112.72 1gr2 s ASN 230 Ca 0.65 1.78 0.15 0.00 -0.71 0.00 0.00 52.86 54.73 1gr2 s ASN 230 Cb -0.09 -2.54 0.24 0.00 0.41 0.00 0.00 41.25 39.27 1gr2 s ASN 230 CO 0.50 -0.65 1.52 -0.07 -1.51 0.00 0.00 177.10 176.89 1gr2 h LEU 231 N 1.46 0.00 0.00 0.60 4.07 -0.78 -3.48 115.31 117.19 1gr2 h LEU 231 Ca -0.49 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.42 1gr2 h LEU 231 Cb 1.20 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.93 1gr2 h LEU 231 CO 0.60 0.55 -0.02 -0.90 -1.08 0.00 0.00 178.44 177.59 1gr2 n ASP 232 N -3.38 -0.28 -3.70 -0.43 5.75 -1.26 -4.95 116.55 108.30 1gr2 n ASP 232 Ca 0.01 -1.37 -0.13 0.00 -0.01 0.00 0.00 54.79 53.29 1gr2 n ASP 232 Cb 0.69 0.51 -0.13 0.00 -1.03 0.00 0.00 41.12 41.16 1gr2 n ASP 232 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1gr2 s SER 233 N -1.43 0.02 0.00 -1.12 0.15 -1.26 -4.25 113.70 105.82 1gr2 s SER 233 Ca 0.06 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.22 1gr2 s SER 233 Cb -0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1gr2 s SER 233 CO 0.04 -0.19 0.00 2.29 1.20 0.00 0.00 173.24 176.58 1gr2 n LYS 234 N 4.67 0.00 -3.87 5.44 2.85 -0.33 -5.03 118.16 121.89 1gr2 n LYS 234 Ca -0.18 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.98 1gr2 n LYS 234 Cb 0.52 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.91 1gr2 n LYS 234 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1gr2 s GLY 235 N -0.10 0.67 -0.12 2.58 0.00 -1.26 -1.49 107.32 107.60 1gr2 s GLY 235 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 1gr2 s GLY 235 CO 0.00 -0.48 0.04 -0.19 0.00 0.00 0.00 173.10 172.46 1gr2 s TYR 236 N -2.38 3.25 0.17 1.90 2.02 0.21 -1.82 117.35 120.71 1gr2 s TYR 236 Ca 0.19 0.18 0.06 0.00 -0.37 0.00 0.00 57.07 57.14 1gr2 s TYR 236 Cb -0.04 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1gr2 s TYR 236 CO 0.14 0.39 -0.13 0.20 -1.57 0.00 0.00 175.55 174.58 1gr2 s GLY 237 N -0.47 1.25 0.01 0.71 0.00 -1.08 -0.51 107.32 107.24 1gr2 s GLY 237 Ca 0.09 -1.55 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 1gr2 s GLY 237 CO 0.02 -1.64 1.00 -0.42 0.00 0.00 0.00 173.10 172.05 1gr2 s ILE 238 N -2.98 4.78 -0.06 0.90 -1.09 -1.26 -4.66 121.20 116.83 1gr2 s ILE 238 Ca 0.19 2.01 0.03 0.00 -2.23 0.00 0.00 60.65 60.65 1gr2 s ILE 238 Cb -0.00 -4.29 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1gr2 s ILE 238 CO 0.04 0.16 -0.13 0.00 -1.23 0.00 0.00 174.94 173.78 1gr2 s ALA 239 N 0.97 2.71 0.18 9.38 0.00 -0.55 -1.17 121.76 133.27 1gr2 s ALA 239 Ca 0.52 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1gr2 s ALA 239 Cb -0.22 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1gr2 s ALA 239 CO 0.28 0.54 -0.03 0.95 0.00 0.00 0.00 175.76 177.50 1gr2 s THR 240 N -0.66 0.88 0.39 0.00 -4.23 -0.49 -0.58 115.64 110.95 1gr2 s THR 240 Ca 0.10 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.34 1gr2 s THR 240 Cb -0.11 -2.08 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 1gr2 s THR 240 CO 0.01 -0.53 1.20 -2.84 -0.54 0.00 0.00 174.62 171.92 1gr2 s PRO 241 N -3.86 4.10 0.19 3.99 0.02 -1.26 -1.41 135.00 136.78 1gr2 s PRO 241 Ca 0.22 1.93 -0.32 0.00 0.02 0.00 0.00 61.00 62.85 1gr2 s PRO 241 Cb 0.05 -2.76 -0.15 0.00 0.02 0.00 0.00 34.50 31.66 1gr2 s PRO 241 CO 0.04 -0.31 1.26 1.63 -0.33 0.00 0.00 177.00 179.29 1gr2 n LYS 242 N 0.22 1.48 -0.96 5.54 4.76 -1.26 -0.39 118.16 127.55 1gr2 n LYS 242 Ca 0.03 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 1gr2 n LYS 242 Cb 0.45 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1gr2 n LYS 242 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gr2 n GLY 243 N 2.11 0.67 3.76 0.72 0.00 -1.26 -5.00 105.19 106.19 1gr2 n GLY 243 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1gr2 n GLY 243 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gr2 s SER 244 N -2.47 5.68 0.43 1.61 0.15 0.48 -4.93 113.70 114.65 1gr2 s SER 244 Ca 0.00 2.59 0.23 0.00 0.70 0.00 0.00 55.95 59.47 1gr2 s SER 244 Cb 0.00 -2.62 0.59 0.00 -1.71 0.00 0.00 66.02 62.28 1gr2 s SER 244 CO 0.00 -1.28 1.69 -1.28 1.20 0.00 0.00 173.24 173.57 1gr2 h SER 245 N 1.77 0.00 1.19 5.45 0.87 -1.95 -3.14 113.55 117.74 1gr2 h SER 245 Ca -0.50 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 59.98 1gr2 h SER 245 Cb 1.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1gr2 h SER 245 CO 0.59 0.16 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.60 1gr2 h LEU 246 N 0.00 0.00 -0.32 2.23 4.07 -1.95 -3.38 115.31 115.96 1gr2 h LEU 246 Ca -0.00 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1gr2 h LEU 246 Cb 0.94 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.63 1gr2 h LEU 246 CO 0.02 0.38 -0.37 1.23 -1.08 0.00 0.00 178.44 178.62 1gr2 h GLY 247 N 2.76 -1.35 -0.06 0.83 0.00 -1.91 -1.23 103.07 102.13 1gr2 h GLY 247 Ca -0.00 0.78 0.08 0.00 0.00 0.00 0.00 47.33 48.19 1gr2 h GLY 247 CO 0.05 -0.33 -0.24 -0.57 0.00 0.00 0.00 176.54 175.45 1gr2 h ASN 248 N -0.23 -0.82 -0.65 0.19 -1.24 -1.81 -1.39 115.58 109.63 1gr2 h ASN 248 Ca 0.05 0.17 0.02 0.00 0.71 0.00 0.00 56.30 57.25 1gr2 h ASN 248 Cb 0.38 0.42 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 1gr2 h ASN 248 CO -0.42 -0.27 0.42 0.00 -1.29 0.00 0.00 177.43 175.87 1gr2 h ALA 249 N 1.01 0.83 -0.04 1.57 0.00 -1.74 -1.57 119.26 119.32 1gr2 h ALA 249 Ca 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1gr2 h ALA 249 Cb 0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gr2 h ALA 249 CO -0.50 0.21 -0.45 -0.39 0.00 0.00 0.00 179.25 178.12 1gr2 h VAL 250 N 0.84 1.32 -0.27 0.00 -1.51 -0.76 -1.71 116.25 114.16 1gr2 h VAL 250 Ca 0.25 -1.56 -0.11 0.00 -1.23 0.00 0.00 66.70 64.04 1gr2 h VAL 250 Cb -0.04 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1gr2 h VAL 250 CO -0.08 0.45 -0.27 -1.13 -1.23 0.00 0.00 177.57 175.32 1gr2 h ASN 251 N 0.07 0.71 0.02 4.19 -1.24 -0.78 -1.80 115.58 116.74 1gr2 h ASN 251 Ca 0.00 -0.47 -0.08 0.00 0.71 0.00 0.00 56.30 56.46 1gr2 h ASN 251 Cb 0.82 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 1gr2 h ASN 251 CO 0.06 1.03 -0.22 -0.07 -1.29 0.00 0.00 177.43 176.94 1gr2 h LEU 252 N 0.39 0.35 -0.45 0.34 3.38 -1.16 -1.60 115.31 116.56 1gr2 h LEU 252 Ca 0.04 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1gr2 h LEU 252 Cb 0.84 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1gr2 h LEU 252 CO 0.07 0.58 -0.11 0.00 0.09 0.00 0.00 178.44 179.07 1gr2 h ALA 253 N 1.45 0.63 -0.50 1.53 0.00 -1.17 -1.11 119.26 120.07 1gr2 h ALA 253 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1gr2 h ALA 253 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1gr2 h ALA 253 CO 0.04 0.52 0.26 0.28 0.00 0.00 0.00 179.25 180.35 1gr2 h VAL 254 N 0.72 1.18 -0.62 0.00 2.07 -0.98 -0.34 116.25 118.27 1gr2 h VAL 254 Ca 0.11 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1gr2 h VAL 254 Cb 0.66 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1gr2 h VAL 254 CO 0.05 0.20 0.36 -0.07 0.02 0.00 0.00 177.57 178.13 1gr2 h LEU 255 N 0.67 0.77 -0.41 2.57 3.38 -1.14 -1.26 115.31 119.88 1gr2 h LEU 255 Ca 0.17 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1gr2 h LEU 255 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1gr2 h LEU 255 CO -0.02 0.62 -0.04 0.50 0.09 0.00 0.00 178.44 179.58 1gr2 h LYS 256 N 0.85 0.76 -0.44 1.13 3.64 -0.87 -0.98 116.57 120.66 1gr2 h LYS 256 Ca 0.22 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1gr2 h LYS 256 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1gr2 h LYS 256 CO -0.04 0.86 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.86 1gr2 h LEU 257 N 0.58 0.74 -0.26 5.20 3.38 -0.97 -1.08 115.31 122.89 1gr2 h LEU 257 Ca 0.11 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1gr2 h LEU 257 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1gr2 h LEU 257 CO 0.03 0.85 -0.06 -1.13 0.09 0.00 0.00 178.44 178.22 1gr2 h ASN 258 N 0.69 0.51 -0.71 -0.43 -1.24 -1.11 -0.78 115.58 112.51 1gr2 h ASN 258 Ca 0.12 -0.37 -0.02 0.00 0.71 0.00 0.00 56.30 56.75 1gr2 h ASN 258 Cb 0.53 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 1gr2 h ASN 258 CO 0.03 0.76 0.37 -0.08 -1.29 0.00 0.00 177.43 177.22 1gr2 h GLU 259 N 0.25 1.02 0.00 6.67 4.81 -0.94 -1.22 114.58 125.18 1gr2 h GLU 259 Ca 0.07 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1gr2 h GLU 259 Cb 0.53 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1gr2 h GLU 259 CO 0.03 0.77 0.00 1.04 -0.73 0.00 0.00 179.01 180.11 1gr2 n GLN 260 N -4.34 0.25 -0.93 1.92 6.02 -0.43 -4.88 117.38 114.99 1gr2 n GLN 260 Ca 0.07 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1gr2 n GLN 260 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 1gr2 n GLN 260 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gr2 n GLY 261 N 0.60 0.83 0.32 1.08 0.00 -0.46 -4.94 105.19 102.62 1gr2 n GLY 261 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 1gr2 n GLY 261 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gr2 h LEU 262 N 0.00 1.01 -1.00 0.99 6.46 -1.34 -1.82 115.31 119.60 1gr2 h LEU 262 Ca 0.00 -0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.52 1gr2 h LEU 262 Cb 0.00 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.66 1gr2 h LEU 262 CO 0.00 0.88 -0.31 -0.07 -0.62 0.00 0.00 178.44 178.32 1gr2 h LEU 263 N 1.08 0.35 -0.27 2.25 3.38 -1.82 -0.22 115.31 120.05 1gr2 h LEU 263 Ca 0.26 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1gr2 h LEU 263 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1gr2 h LEU 263 CO -0.03 0.65 -0.23 0.44 0.09 0.00 0.00 178.44 179.36 1gr2 h ASP 264 N 0.30 0.67 -0.72 -0.43 3.32 -1.80 -1.77 116.42 115.99 1gr2 h ASP 264 Ca 0.04 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.60 1gr2 h ASP 264 Cb 0.69 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1gr2 h ASP 264 CO 0.05 0.99 0.30 0.50 -1.72 0.00 0.00 179.24 179.36 1gr2 h LYS 265 N 0.37 1.07 -0.68 3.56 1.63 -1.06 -0.85 116.57 120.61 1gr2 h LYS 265 Ca 0.05 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.60 1gr2 h LYS 265 Cb 0.78 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.20 1gr2 h LYS 265 CO 0.06 0.87 0.15 1.25 -3.45 0.00 0.00 179.45 178.32 1gr2 h LEU 266 N 1.02 1.04 -0.43 5.20 5.85 -0.96 0.88 115.31 127.91 1gr2 h LEU 266 Ca 0.24 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1gr2 h LEU 266 Cb 0.19 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1gr2 h LEU 266 CO -0.02 1.01 -0.27 0.50 -0.34 0.00 0.00 178.44 179.32 1gr2 h LYS 267 N 1.02 0.94 -0.70 1.25 3.64 -1.06 -2.76 116.57 118.91 1gr2 h LYS 267 Ca 0.21 -0.44 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 1gr2 h LYS 267 Cb 0.39 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1gr2 h LYS 267 CO 0.01 1.10 0.34 -0.91 -2.27 0.00 0.00 179.45 177.72 1gr2 h ASN 268 N 0.78 0.90 0.38 4.20 2.35 -0.78 -0.36 115.58 123.04 1gr2 h ASN 268 Ca 0.09 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1gr2 h ASN 268 Cb 0.85 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1gr2 h ASN 268 CO 0.08 0.76 -0.20 0.50 -1.65 0.00 0.00 177.43 176.91 1gr2 h LYS 269 N 0.99 -0.51 0.00 0.81 3.64 -0.69 0.18 116.57 120.99 1gr2 h LYS 269 Ca 0.24 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1gr2 h LYS 269 Cb 0.09 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1gr2 h LYS 269 CO -0.03 -0.34 -0.33 -1.49 -2.27 0.00 0.00 179.45 174.99 1gr2 h TRP 270 N -0.53 0.00 0.01 1.91 4.06 -1.28 -0.95 115.95 119.17 1gr2 h TRP 270 Ca -0.05 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.54 1gr2 h TRP 270 Cb 0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.53 1gr2 h TRP 270 CO -0.06 0.33 -2.03 0.91 -3.56 0.00 0.00 178.44 174.03 1gr2 n TRP 271 N -3.26 0.47 -0.09 0.49 8.01 -0.16 -4.61 117.44 118.30 1gr2 n TRP 271 Ca 0.02 0.18 -0.16 0.00 -1.31 0.00 0.00 57.50 56.23 1gr2 n TRP 271 Cb 0.60 -1.05 -0.07 0.00 -2.01 0.00 0.00 31.31 28.78 1gr2 n TRP 271 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1gr2 n TYR 272 N -4.18 0.00 -0.08 -5.99 4.01 -0.27 -3.71 117.16 106.94 1gr2 n TYR 272 Ca -0.44 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.31 1gr2 n TYR 272 Cb 0.83 -0.66 0.31 0.00 -0.31 0.00 0.00 39.34 39.52 1gr2 n TYR 272 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1gr2 h ASP 273 N -0.37 0.64 -0.59 7.72 3.32 -0.64 -1.11 116.42 125.39 1gr2 h ASP 273 Ca -0.43 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1gr2 h ASP 273 Cb 1.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1gr2 h ASP 273 CO -0.18 0.53 0.00 0.29 -1.72 0.00 0.00 179.24 178.15 1gr2 n LYS 274 N -4.40 2.46 -0.67 3.56 5.02 -0.37 -4.98 118.16 118.80 1gr2 n LYS 274 Ca 0.04 -2.27 -0.30 0.00 -2.02 0.00 0.00 58.31 53.77 1gr2 n LYS 274 Cb 0.11 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.82 1gr2 n LYS 274 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gr2 s GLY 275 N -1.10 1.61 0.00 0.72 0.00 -0.42 -4.97 107.32 103.15 1gr2 s GLY 275 Ca 0.42 0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1gr2 s GLY 275 CO 0.30 0.76 0.70 1.18 0.00 0.00 0.00 173.10 176.04 1gr2 n GLU 276 N -4.54 1.05 0.00 2.90 1.02 0.14 -5.04 120.64 116.18 1gr2 n GLU 276 Ca 0.07 -0.94 0.03 0.00 -0.02 0.00 0.00 57.16 56.30 1gr2 n GLU 276 Cb 0.53 -0.92 0.02 0.00 -0.02 0.00 0.00 31.44 31.06 1gr2 n GLU 276 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31