#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpa s GLN 2 N 0.00 1.22 0.09 1.96 -0.21 0.11 -4.85 119.66 117.97 3gpa s GLN 2 Ca 0.00 -1.40 0.10 0.00 0.02 0.00 0.00 55.36 54.08 3gpa s GLN 2 Cb 0.00 0.33 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 3gpa s GLN 2 CO 0.00 -0.43 -0.27 1.03 -2.12 0.00 0.00 175.29 173.50 3gpa s ARG 3 N -4.06 1.59 0.08 2.91 0.52 -1.26 -1.53 118.95 117.20 3gpa s ARG 3 Ca 0.28 -1.23 -0.01 0.00 -0.52 0.00 0.00 55.73 54.25 3gpa s ARG 3 Cb 0.05 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 3gpa s ARG 3 CO 0.07 0.48 -0.01 -0.08 0.02 0.00 0.00 175.30 175.77 3gpa s THR 4 N -0.93 0.28 -0.20 0.02 -1.32 -0.17 -4.70 115.64 108.61 3gpa s THR 4 Ca 0.13 -1.86 -0.07 0.00 -1.21 0.00 0.00 61.69 58.68 3gpa s THR 4 Cb -0.10 -1.69 -0.04 0.00 -1.51 0.00 0.00 72.50 69.16 3gpa s THR 4 CO 0.04 -0.83 0.06 -0.22 -2.21 0.00 0.00 174.62 171.45 3gpa s LEU 5 N -2.98 3.69 -0.07 9.08 2.96 -1.26 -1.72 118.68 128.38 3gpa s LEU 5 Ca 0.12 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 3gpa s LEU 5 Cb 0.07 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3gpa s LEU 5 CO -0.06 0.12 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.22 3gpa s VAL 6 N 0.66 2.68 -0.10 1.68 1.01 0.25 -2.01 120.40 124.58 3gpa s VAL 6 Ca 0.03 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 3gpa s VAL 6 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3gpa s VAL 6 CO 0.02 0.57 -0.07 -0.76 0.00 0.00 0.00 175.10 174.85 3gpa s LEU 7 N -0.29 3.12 -0.30 3.92 1.43 -0.02 -0.37 118.68 126.17 3gpa s LEU 7 Ca 0.01 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 3gpa s LEU 7 Cb -0.13 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3gpa s LEU 7 CO 0.03 0.28 0.35 -0.63 0.23 0.00 0.00 176.35 176.61 3gpa s ILE 8 N -0.32 5.18 0.61 -0.59 -1.09 0.04 -0.74 121.20 124.30 3gpa s ILE 8 Ca 0.04 0.35 -0.09 0.00 -2.23 0.00 0.00 60.65 58.72 3gpa s ILE 8 Cb -0.13 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 3gpa s ILE 8 CO 0.02 0.08 0.97 -0.54 -1.23 0.00 0.00 174.94 174.24 3gpa s LYS 9 N 2.03 3.16 0.62 2.79 1.02 0.22 -2.53 119.74 127.05 3gpa s LYS 9 Ca 0.13 0.34 0.36 0.00 0.02 0.00 0.00 55.97 56.83 3gpa s LYS 9 Cb -0.16 -2.17 2.07 0.00 -0.52 0.00 0.00 37.83 37.06 3gpa s LYS 9 CO 0.11 -0.69 2.30 -1.35 -0.92 0.00 0.00 175.35 174.80 3gpa h PRO 10 N -0.29 0.00 0.00 -1.68 0.11 -1.84 -0.73 132.00 127.57 3gpa h PRO 10 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3gpa h PRO 10 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3gpa h PRO 10 CO 0.62 0.01 -0.31 0.38 -0.21 0.00 0.00 178.00 178.49 3gpa h ASP 11 N 0.00 0.00 -0.77 -2.05 2.03 -1.91 -1.86 116.42 111.86 3gpa h ASP 11 Ca -0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 3gpa h ASP 11 Cb 0.02 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.49 3gpa h ASP 11 CO 0.00 0.31 0.36 0.00 -1.03 0.00 0.00 179.24 178.88 3gpa h ALA 12 N 1.69 1.15 -0.31 4.15 0.00 -1.39 -0.12 119.26 124.44 3gpa h ALA 12 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3gpa h ALA 12 Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gpa h ALA 12 CO 0.04 0.63 -0.21 0.74 0.00 0.00 0.00 179.25 180.45 3gpa h PHE 13 N 1.12 0.81 -0.98 0.00 -1.00 -1.53 0.88 116.94 116.24 3gpa h PHE 13 Ca 0.27 -0.22 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3gpa h PHE 13 Cb 0.14 -0.18 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 3gpa h PHE 13 CO 0.02 0.94 0.65 1.49 -1.61 0.00 0.00 178.31 179.80 3gpa h GLU 14 N 0.45 1.29 -0.34 1.51 4.57 -1.08 -2.70 114.58 118.28 3gpa h GLU 14 Ca 0.06 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3gpa h GLU 14 Cb 0.76 -0.29 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3gpa h GLU 14 CO 0.06 0.85 0.00 0.54 -1.18 0.00 0.00 179.01 179.28 3gpa n ARG 15 N -4.39 2.34 -3.54 1.92 1.74 -0.08 -4.97 116.66 109.68 3gpa n ARG 15 Ca 0.12 -2.03 -0.20 0.00 -0.77 0.00 0.00 57.85 54.97 3gpa n ARG 15 Cb 0.02 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.05 3gpa n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3gpa n SER 16 N 1.24 -3.37 -0.26 0.55 7.64 -0.56 -4.93 113.62 113.93 3gpa n SER 16 Ca 0.19 -0.63 0.03 0.00 1.01 0.00 0.00 58.87 59.46 3gpa n SER 16 Cb 0.55 -4.90 0.07 0.00 -1.01 0.00 0.00 64.21 58.91 3gpa n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3gpa n LEU 17 N -4.44 2.40 0.05 -3.43 4.77 0.20 -4.76 117.00 111.79 3gpa n LEU 17 Ca -0.18 -2.09 -0.11 0.00 -0.03 0.00 0.00 56.01 53.60 3gpa n LEU 17 Cb 0.63 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3gpa n LEU 17 CO 0.64 0.60 0.70 0.58 -1.33 0.00 0.00 177.39 178.58 3gpa h VAL 18 N 0.76 0.45 -0.40 4.08 2.07 -1.92 -1.41 116.25 119.87 3gpa h VAL 18 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3gpa h VAL 18 Cb 0.64 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3gpa h VAL 18 CO 0.01 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.46 3gpa h ALA 19 N 0.51 1.00 -0.23 1.67 0.00 -1.94 -1.29 119.26 118.97 3gpa h ALA 19 Ca 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3gpa h ALA 19 Cb 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3gpa h ALA 19 CO -0.23 0.60 -0.00 1.49 0.00 0.00 0.00 179.25 181.10 3gpa h GLU 20 N 0.66 0.07 0.02 0.00 4.57 -1.81 0.31 114.58 118.41 3gpa h GLU 20 Ca 0.11 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3gpa h GLU 20 Cb 0.61 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3gpa h GLU 20 CO 0.04 0.05 -0.01 0.82 -1.18 0.00 0.00 179.01 178.73 3gpa h ILE 21 N 0.07 1.15 -0.54 2.32 2.04 -1.06 -2.30 117.51 119.19 3gpa h ILE 21 Ca 0.11 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3gpa h ILE 21 Cb 0.14 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3gpa h ILE 21 CO -0.19 0.14 0.28 0.24 0.00 0.00 0.00 178.15 178.62 3gpa h MET 22 N -0.26 0.74 -0.15 2.37 2.86 -1.11 -2.56 114.93 116.82 3gpa h MET 22 Ca -0.00 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 3gpa h MET 22 Cb 0.25 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3gpa h MET 22 CO 0.01 0.56 -0.36 0.78 1.06 0.00 0.00 176.91 178.96 3gpa h GLY 23 N 0.83 0.33 1.34 8.32 0.00 -0.26 -0.63 103.07 113.01 3gpa h GLY 23 Ca 0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3gpa h GLY 23 CO -0.03 0.27 -0.07 3.21 0.00 0.00 0.00 176.54 179.92 3gpa h ARG 24 N 0.26 0.79 -0.23 4.80 3.08 -0.99 -0.68 114.38 121.41 3gpa h ARG 24 Ca 0.03 -0.25 -0.14 0.00 0.07 0.00 0.00 59.98 59.70 3gpa h ARG 24 Cb 0.76 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 3gpa h ARG 24 CO 0.06 0.84 -0.40 0.82 -1.07 0.00 0.00 179.97 180.23 3gpa h ILE 25 N 0.73 1.31 -0.77 2.04 2.04 -1.38 -3.18 117.51 118.30 3gpa h ILE 25 Ca 0.13 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 3gpa h ILE 25 Cb 0.54 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 3gpa h ILE 25 CO 0.03 0.50 0.43 -0.08 0.00 0.00 0.00 178.15 179.04 3gpa h GLU 26 N 0.38 1.06 0.00 2.37 4.81 -0.90 -2.33 114.58 119.96 3gpa h GLU 26 Ca 0.02 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3gpa h GLU 26 Cb 0.99 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3gpa h GLU 26 CO 0.09 0.77 0.00 0.87 -0.73 0.00 0.00 179.01 180.01 3gpa h LYS 27 N 1.07 0.00 -0.39 1.92 1.57 -1.16 -1.26 116.57 118.32 3gpa h LYS 27 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3gpa h LYS 27 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3gpa h LYS 27 CO -0.05 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.00 3gpa n LYS 28 N -2.49 1.98 -1.42 3.15 4.81 -0.89 -4.93 118.16 118.37 3gpa n LYS 28 Ca 0.03 -1.52 -0.01 0.00 -0.87 0.00 0.00 58.31 55.95 3gpa n LYS 28 Cb 0.35 -1.35 -0.00 0.00 0.02 0.00 0.00 35.03 34.04 3gpa n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3gpa n ASN 29 N 0.73 -2.34 -4.82 3.14 4.05 -0.48 -5.04 115.26 110.50 3gpa n ASN 29 Ca 0.15 0.01 -0.36 0.00 0.45 0.00 0.00 54.58 54.83 3gpa n ASN 29 Cb 0.37 -0.69 -0.06 0.00 1.23 0.00 0.00 39.78 40.64 3gpa n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3gpa s PHE 30 N -2.04 3.66 0.01 1.20 0.40 -1.16 -4.90 117.98 115.14 3gpa s PHE 30 Ca 0.00 1.31 0.04 0.00 -0.60 0.00 0.00 56.93 57.68 3gpa s PHE 30 Cb 0.00 -2.55 -0.03 0.00 0.51 0.00 0.00 43.02 40.94 3gpa s PHE 30 CO 0.00 0.38 -0.08 0.15 0.70 0.00 0.00 175.22 176.37 3gpa s LYS 31 N -1.90 2.49 -0.11 0.44 -0.14 -0.57 -4.47 119.74 115.48 3gpa s LYS 31 Ca 0.41 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.96 3gpa s LYS 31 Cb -0.17 -2.46 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 3gpa s LYS 31 CO 0.21 0.59 1.14 0.42 -0.76 0.00 0.00 175.35 176.95 3gpa s ILE 32 N -0.99 4.46 -0.22 2.17 1.01 -1.26 -0.59 121.20 125.78 3gpa s ILE 32 Ca 0.17 1.76 -0.06 0.00 0.00 0.00 0.00 60.65 62.52 3gpa s ILE 32 Cb -0.11 -4.13 -0.19 0.00 0.01 0.00 0.00 42.46 38.04 3gpa s ILE 32 CO 0.07 -0.04 -0.02 0.52 0.00 0.00 0.00 174.94 175.47 3gpa n VAL 33 N 4.79 1.59 -3.78 2.92 0.31 0.19 -4.93 118.33 119.42 3gpa n VAL 33 Ca 0.11 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.84 3gpa n VAL 33 Cb 0.47 -1.66 -0.05 0.00 -0.91 0.00 0.00 33.84 31.69 3gpa n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gpa s SER 34 N -6.88 -0.18 -0.27 4.52 1.04 -1.15 -4.98 113.70 105.79 3gpa s SER 34 Ca -0.31 -0.55 -0.17 0.00 0.48 0.00 0.00 55.95 55.40 3gpa s SER 34 Cb 0.09 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.81 3gpa s SER 34 CO 0.63 -0.98 0.68 -0.32 0.98 0.00 0.00 173.24 174.23 3gpa s MET 35 N -3.88 0.71 0.03 4.02 0.00 -1.26 -0.05 119.30 118.87 3gpa s MET 35 Ca 0.10 1.16 0.07 0.00 0.00 0.00 0.00 55.69 57.02 3gpa s MET 35 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 34.83 34.99 3gpa s MET 35 CO -0.04 -0.14 -0.19 0.15 0.00 0.00 0.00 175.02 174.80 3gpa s LYS 36 N 1.41 1.33 -0.18 4.11 1.02 -0.16 -5.00 119.74 122.27 3gpa s LYS 36 Ca -0.08 -0.86 -0.06 0.00 0.02 0.00 0.00 55.97 54.99 3gpa s LYS 36 Cb -0.05 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 3gpa s LYS 36 CO -0.16 0.36 0.03 0.12 -0.92 0.00 0.00 175.35 174.78 3gpa s PHE 37 N -0.74 3.15 -0.26 3.18 5.36 -1.26 -1.25 117.98 126.17 3gpa s PHE 37 Ca 0.06 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 3gpa s PHE 37 Cb -0.08 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.58 3gpa s PHE 37 CO 0.01 0.02 -0.07 -1.58 -1.46 0.00 0.00 175.22 172.15 3gpa s TRP 38 N 0.53 3.12 0.49 10.12 0.52 0.16 -4.97 118.94 128.91 3gpa s TRP 38 Ca 0.01 -1.77 0.19 0.00 0.02 0.00 0.00 56.10 54.55 3gpa s TRP 38 Cb -0.13 -2.03 1.28 0.00 -1.15 0.00 0.00 33.47 31.44 3gpa s TRP 38 CO 0.02 -0.78 2.10 0.66 0.02 0.00 0.00 176.95 178.96 3gpa h SER 39 N 7.96 0.00 -1.15 2.95 4.64 -1.92 -0.41 113.55 125.62 3gpa h SER 39 Ca -0.29 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.11 3gpa h SER 39 Cb 1.09 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.96 3gpa h SER 39 CO 0.55 0.08 -0.27 -0.75 -0.87 0.00 0.00 176.83 175.57 3gpa s LYS 40 N -4.73 0.55 0.24 4.77 2.20 -1.26 -3.19 119.74 118.32 3gpa s LYS 40 Ca -0.04 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 3gpa s LYS 40 Cb 0.16 0.51 -0.10 0.00 -1.51 0.00 0.00 37.83 36.89 3gpa s LYS 40 CO 0.65 -0.59 1.48 0.00 -0.36 0.00 0.00 175.35 176.53 3gpa s ALA 41 N 2.84 3.67 0.19 3.13 0.00 -1.26 -4.94 121.76 125.39 3gpa s ALA 41 Ca 0.18 1.36 -0.32 0.00 0.00 0.00 0.00 51.96 53.18 3gpa s ALA 41 Cb -0.15 -3.58 -0.15 0.00 0.00 0.00 0.00 23.12 19.24 3gpa s ALA 41 CO -0.20 -0.77 1.24 -2.30 0.00 0.00 0.00 175.76 173.72 3gpa n PRO 42 N 2.65 1.42 -0.18 0.00 -0.02 -1.26 -4.86 135.00 132.74 3gpa n PRO 42 Ca 0.08 0.51 -0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3gpa n PRO 42 Cb 0.40 -2.05 0.24 0.00 -0.02 0.00 0.00 33.50 32.07 3gpa n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gpa h ARG 43 N 3.63 0.92 -0.84 -0.52 2.43 -1.98 -2.56 114.38 115.47 3gpa h ARG 43 Ca -0.44 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3gpa h ARG 43 Cb 1.32 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 3gpa h ARG 43 CO 0.72 0.66 0.52 -2.95 -1.51 0.00 0.00 179.97 177.41 3gpa h ASN 44 N 0.94 1.00 -0.66 -3.80 -1.07 -1.99 0.10 115.58 110.10 3gpa h ASN 44 Ca 0.24 -0.06 0.06 0.00 0.07 0.00 0.00 56.30 56.62 3gpa h ASN 44 Cb -0.01 -0.25 -0.06 0.00 -2.07 0.00 0.00 38.32 35.93 3gpa h ASN 44 CO -0.04 0.76 0.36 -0.07 0.07 0.00 0.00 177.43 178.51 3gpa h LEU 45 N 1.15 0.53 -0.30 6.14 4.07 -1.84 0.24 115.31 125.30 3gpa h LEU 45 Ca 0.30 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.24 3gpa h LEU 45 Cb -0.07 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3gpa h LEU 45 CO -0.06 0.34 -0.01 0.40 -1.08 0.00 0.00 178.44 178.03 3gpa h ILE 46 N 0.67 1.26 -0.59 1.22 1.08 -1.18 0.86 117.51 120.83 3gpa h ILE 46 Ca 0.30 -0.97 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 3gpa h ILE 46 Cb 0.19 1.30 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 3gpa h ILE 46 CO -0.19 0.31 0.30 -0.33 -0.69 0.00 0.00 178.15 177.56 3gpa h GLU 47 N 0.33 0.83 0.18 2.37 5.08 -0.58 -0.99 114.58 121.78 3gpa h GLU 47 Ca 0.08 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3gpa h GLU 47 Cb 0.46 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gpa h GLU 47 CO 0.02 0.66 -0.08 1.96 -1.00 0.00 0.00 179.01 180.56 3gpa h GLN 48 N 0.79 -0.23 -0.98 2.33 4.20 -0.90 -1.49 115.11 118.84 3gpa h GLN 48 Ca 0.20 0.02 0.23 0.00 0.06 0.00 0.00 58.65 59.16 3gpa h GLN 48 Cb 0.08 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.80 3gpa h GLN 48 CO -0.03 -0.11 0.56 1.25 -0.67 0.00 0.00 178.83 179.83 3gpa h HIS 49 N -0.28 0.96 -0.68 2.96 2.76 -0.46 0.10 115.15 120.51 3gpa h HIS 49 Ca -0.02 0.04 -0.28 0.00 -2.20 0.00 0.00 60.37 57.90 3gpa h HIS 49 Cb 0.22 -0.27 -0.17 0.00 1.55 0.00 0.00 27.41 28.74 3gpa h HIS 49 CO -0.05 0.08 0.28 0.66 -1.30 0.00 0.00 177.93 177.60 3gpa n TYR 50 N -4.89 2.16 -0.32 5.26 0.53 -0.41 -4.68 117.16 114.81 3gpa n TYR 50 Ca 0.25 -1.49 0.16 0.00 -1.02 0.00 0.00 57.90 55.80 3gpa n TYR 50 Cb 0.69 -0.69 0.35 0.00 -1.03 0.00 0.00 39.34 38.66 3gpa n TYR 50 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 3gpa h LYS 51 N 1.61 0.42 -0.23 -0.72 2.10 0.12 0.31 116.57 120.17 3gpa h LYS 51 Ca 0.35 -0.02 0.07 0.00 -2.00 0.00 0.00 60.65 59.04 3gpa h LYS 51 Cb 2.25 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 33.48 3gpa h LYS 51 CO 0.72 0.27 0.27 1.49 -2.00 0.00 0.00 179.45 180.20 3gpa h GLU 52 N 0.43 0.00 -0.45 0.07 4.57 -1.83 -1.70 114.58 115.66 3gpa h GLU 52 Ca 0.61 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.79 3gpa h GLU 52 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3gpa h GLU 52 CO -0.53 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.02 3gpa n HIS 53 N -3.75 0.59 0.32 0.92 8.25 0.11 -4.67 115.22 116.99 3gpa n HIS 53 Ca 0.03 -0.36 0.19 0.00 -0.26 0.00 0.00 57.72 57.33 3gpa n HIS 53 Cb 0.40 -0.01 1.03 0.00 1.12 0.00 0.00 29.99 32.53 3gpa n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gpa h SER 54 N 3.72 0.00 -0.12 0.41 4.64 -1.30 -0.19 113.55 120.71 3gpa h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpa h SER 54 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3gpa h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3gpa n GLU 55 N -3.12 2.12 -2.51 4.77 1.02 -1.26 -4.91 120.64 116.74 3gpa n GLU 55 Ca -0.02 -1.90 -0.31 0.00 -0.02 0.00 0.00 57.16 54.91 3gpa n GLU 55 Cb 0.21 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 3gpa n GLU 55 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3gpa s GLN 56 N -1.70 3.77 0.47 3.49 -1.52 -0.08 -4.96 119.66 119.12 3gpa s GLN 56 Ca 0.28 0.63 0.18 0.00 -1.95 0.00 0.00 55.36 54.50 3gpa s GLN 56 Cb 0.19 -2.26 1.14 0.00 -0.22 0.00 0.00 33.01 31.86 3gpa s GLN 56 CO 0.28 -0.22 2.03 0.66 -0.25 0.00 0.00 175.29 177.78 3gpa h SER 57 N 0.74 0.00 -0.06 5.90 4.64 -1.93 -2.76 113.55 120.07 3gpa h SER 57 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3gpa h SER 57 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gpa h SER 57 CO 0.62 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 3gpa n TYR 58 N -4.17 0.05 0.05 4.77 0.18 -1.26 -4.58 117.16 112.20 3gpa n TYR 58 Ca -0.02 -0.03 -0.11 0.00 1.88 0.00 0.00 57.90 59.62 3gpa n TYR 58 Cb 0.23 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.15 3gpa n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3gpa h PHE 59 N 3.32 -0.68 -0.75 -3.48 3.04 -1.72 0.28 116.94 116.96 3gpa h PHE 59 Ca 0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 3gpa h PHE 59 Cb 0.71 0.31 -0.03 0.00 2.56 0.00 0.00 35.95 39.49 3gpa h PHE 59 CO 0.03 -0.34 0.23 -0.91 -2.02 0.00 0.00 178.31 175.30 3gpa h ASN 60 N -0.38 1.09 -0.50 0.41 2.35 -1.83 -0.74 115.58 115.99 3gpa h ASN 60 Ca 0.07 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3gpa h ASN 60 Cb 0.47 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3gpa h ASN 60 CO -0.24 1.01 0.06 0.44 -1.65 0.00 0.00 177.43 177.05 3gpa h ASP 61 N 1.12 0.85 -0.13 5.81 3.32 -1.74 0.11 116.42 125.75 3gpa h ASP 61 Ca 0.24 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3gpa h ASP 61 Cb 0.31 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3gpa h ASP 61 CO -0.01 0.88 0.07 0.25 -1.72 0.00 0.00 179.24 178.71 3gpa h LEU 62 N 0.84 0.17 -0.80 1.55 5.85 0.09 -1.09 115.31 121.92 3gpa h LEU 62 Ca 0.17 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 3gpa h LEU 62 Cb 0.42 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3gpa h LEU 62 CO 0.01 0.24 -0.06 0.00 -0.34 0.00 0.00 178.44 178.29 3gpa h ASP 64 N 0.77 0.47 -0.48 0.00 3.32 -0.84 -2.12 116.42 117.54 3gpa h ASP 64 Ca 0.14 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3gpa h ASP 64 Cb 0.55 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3gpa h ASP 64 CO 0.03 0.33 0.25 0.15 -1.72 0.00 0.00 179.24 178.28 3gpa h PHE 65 N 0.58 0.45 0.00 4.55 -0.00 -0.78 -2.46 116.94 119.28 3gpa h PHE 65 Ca 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.18 3gpa h PHE 65 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 35.95 35.82 3gpa h PHE 65 CO -0.06 0.23 0.00 -1.33 -0.00 0.00 0.00 178.31 177.15 3gpa n MET 66 N -4.88 0.12 -0.03 1.11 2.81 -0.52 -1.14 117.12 114.59 3gpa n MET 66 Ca 0.04 0.35 0.07 0.00 -1.81 0.00 0.00 57.70 56.34 3gpa n MET 66 Cb 0.12 -1.73 0.08 0.00 -0.71 0.00 0.00 33.22 30.98 3gpa n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3gpa n VAL 67 N -1.95 0.13 1.62 2.03 0.31 -0.85 -4.54 118.33 115.08 3gpa n VAL 67 Ca 0.03 -0.57 0.15 0.00 -0.01 0.00 0.00 64.34 63.94 3gpa n VAL 67 Cb 0.21 1.20 0.79 0.00 -0.91 0.00 0.00 33.84 35.13 3gpa n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gpa n SER 68 N 0.82 0.13 -2.86 4.52 3.41 -0.29 -4.84 113.62 114.51 3gpa n SER 68 Ca 0.09 -0.56 -0.01 0.00 -0.26 0.00 0.00 58.87 58.14 3gpa n SER 68 Cb 0.38 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 3gpa n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpa n GLY 69 N 1.18 0.63 3.73 5.00 0.00 -1.26 -5.08 105.19 109.39 3gpa n GLY 69 Ca 0.18 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 3gpa n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gpa s PRO 70 N -2.03 1.82 0.10 1.61 0.02 -1.19 -4.59 135.00 130.73 3gpa s PRO 70 Ca 0.19 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.63 3gpa s PRO 70 Cb -0.02 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 3gpa s PRO 70 CO 0.03 -2.01 -0.07 0.96 -0.33 0.00 0.00 177.00 175.58 3gpa s ILE 71 N -2.65 0.76 -0.09 2.83 -4.36 -0.16 -3.36 121.20 114.16 3gpa s ILE 71 Ca 0.65 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 59.17 3gpa s ILE 71 Cb -0.21 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 3gpa s ILE 71 CO 0.54 -0.83 -0.20 -0.63 0.24 0.00 0.00 174.94 174.06 3gpa s ILE 72 N -3.45 2.44 -0.17 8.37 1.01 -1.05 -0.67 121.20 127.69 3gpa s ILE 72 Ca 0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 3gpa s ILE 72 Cb 0.04 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 3gpa s ILE 72 CO -0.04 0.56 0.01 -0.94 0.00 0.00 0.00 174.94 174.53 3gpa s SER 73 N 0.11 5.23 -0.02 3.58 1.04 -0.38 -0.78 113.70 122.49 3gpa s SER 73 Ca -0.10 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.35 3gpa s SER 73 Cb -0.16 -1.86 -0.00 0.00 0.10 0.00 0.00 66.02 64.10 3gpa s SER 73 CO 0.06 0.18 -0.11 -0.63 0.98 0.00 0.00 173.24 173.72 3gpa s ILE 74 N 0.30 0.88 -0.30 -1.02 1.01 0.50 -0.99 121.20 121.59 3gpa s ILE 74 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.11 3gpa s ILE 74 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3gpa s ILE 74 CO 0.01 0.26 0.14 -0.69 0.00 0.00 0.00 174.94 174.67 3gpa s VAL 75 N -0.08 4.64 -0.01 2.92 1.01 0.93 -0.58 120.40 129.23 3gpa s VAL 75 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3gpa s VAL 75 Cb -0.06 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3gpa s VAL 75 CO 0.00 0.14 0.12 -0.31 0.00 0.00 0.00 175.10 175.05 3gpa s TYR 76 N 1.63 3.39 -0.02 5.22 1.51 -0.70 0.54 117.35 128.92 3gpa s TYR 76 Ca 0.05 0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.43 3gpa s TYR 76 Cb -0.17 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 3gpa s TYR 76 CO 0.06 0.59 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.94 3gpa s GLU 77 N -1.75 1.30 0.00 -0.62 2.12 0.25 -1.00 118.70 119.00 3gpa s GLU 77 Ca 0.24 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3gpa s GLU 77 Cb -0.12 -1.23 0.00 0.00 0.26 0.00 0.00 34.13 33.04 3gpa s GLU 77 CO 0.15 0.30 0.00 0.41 -0.54 0.00 0.00 175.26 175.58 3gpa n GLY 78 N 2.80 -0.49 3.68 -1.50 0.00 -0.58 -1.52 105.19 107.59 3gpa n GLY 78 Ca -0.15 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3gpa n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpa s THR 79 N -2.00 2.98 -1.59 2.61 2.01 -1.26 -0.72 115.64 117.67 3gpa s THR 79 Ca 0.00 0.37 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 3gpa s THR 79 Cb 0.00 -3.24 0.01 0.00 0.01 0.00 0.00 72.50 69.28 3gpa s THR 79 CO 0.00 -0.01 0.34 -0.67 -0.69 0.00 0.00 174.62 173.60 3gpa n ASP 80 N 5.91 -5.74 -0.13 3.53 4.64 -1.26 -4.86 116.55 118.63 3gpa n ASP 80 Ca 0.17 -0.17 -0.05 0.00 -1.38 0.00 0.00 54.79 53.36 3gpa n ASP 80 Cb 0.40 -4.71 0.03 0.00 -1.04 0.00 0.00 41.12 35.81 3gpa n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3gpa h ALA 81 N 1.00 0.50 0.42 -1.67 0.00 -1.75 -1.18 119.26 116.59 3gpa h ALA 81 Ca -0.50 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3gpa h ALA 81 Cb 1.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3gpa h ALA 81 CO 0.56 -0.23 -0.52 0.82 0.00 0.00 0.00 179.25 179.88 3gpa h ILE 82 N 0.32 0.00 -0.50 0.00 2.04 -1.88 -0.15 117.51 117.34 3gpa h ILE 82 Ca 0.19 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.00 3gpa h ILE 82 Cb 0.18 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 3gpa h ILE 82 CO -0.19 0.00 0.11 -1.28 0.00 0.00 0.00 178.15 176.79 3gpa h SER 83 N -0.96 0.77 -0.63 1.72 0.87 -1.85 -1.94 113.55 111.53 3gpa h SER 83 Ca -0.05 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 3gpa h SER 83 Cb 0.86 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.59 3gpa h SER 83 CO -0.12 0.81 0.15 0.11 -0.53 0.00 0.00 176.83 177.25 3gpa h LYS 84 N 0.70 1.04 0.05 2.24 1.79 -1.03 -0.46 116.57 120.89 3gpa h LYS 84 Ca 0.16 -0.24 -0.24 0.00 -2.18 0.00 0.00 60.65 58.14 3gpa h LYS 84 Cb 0.34 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3gpa h LYS 84 CO 0.00 0.93 -1.05 0.82 -1.08 0.00 0.00 179.45 179.08 3gpa h ILE 85 N 0.99 1.43 -0.73 1.86 2.04 -0.99 -0.57 117.51 121.54 3gpa h ILE 85 Ca 0.21 -2.65 0.12 0.00 1.00 0.00 0.00 64.86 63.54 3gpa h ILE 85 Cb 0.36 2.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.96 3gpa h ILE 85 CO 0.00 0.79 0.30 0.03 0.00 0.00 0.00 178.15 179.27 3gpa h ARG 86 N 0.17 0.46 -0.35 2.37 2.47 -1.14 0.31 114.38 118.67 3gpa h ARG 86 Ca -0.10 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 3gpa h ARG 86 Cb 1.71 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.92 3gpa h ARG 86 CO 0.18 0.30 -0.05 0.00 0.56 0.00 0.00 179.97 180.96 3gpa h ARG 87 N 0.47 0.66 -0.56 0.04 3.08 -0.75 -1.04 114.38 116.28 3gpa h ARG 87 Ca 0.39 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 60.27 3gpa h ARG 87 Cb 0.54 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3gpa h ARG 87 CO -0.36 0.80 0.24 -0.07 -1.07 0.00 0.00 179.97 179.51 3gpa h LEU 88 N 0.46 0.30 -0.28 3.04 4.07 -0.73 -2.50 115.31 119.66 3gpa h LEU 88 Ca 0.09 0.05 0.04 0.00 0.08 0.00 0.00 57.88 58.15 3gpa h LEU 88 Cb 0.54 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.25 3gpa h LEU 88 CO 0.03 0.19 0.02 -0.61 -1.08 0.00 0.00 178.44 176.99 3gpa h GLN 89 N 0.46 0.11 0.00 1.13 4.15 -0.08 0.50 115.11 121.37 3gpa h GLN 89 Ca 0.27 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3gpa h GLN 89 Cb 0.26 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3gpa h GLN 89 CO -0.23 0.07 0.00 0.41 -1.93 0.00 0.00 178.83 177.15 3gpa n GLY 90 N -1.21 1.82 3.43 2.39 0.00 -0.42 -1.73 105.19 109.47 3gpa n GLY 90 Ca -0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3gpa n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpa s ASN 91 N -4.00 -0.10 0.38 1.61 2.20 -1.26 -4.81 114.94 108.96 3gpa s ASN 91 Ca 0.00 -0.69 0.22 0.00 -0.94 0.00 0.00 52.86 51.45 3gpa s ASN 91 Cb 0.00 0.51 1.22 0.00 -2.00 0.00 0.00 41.25 40.98 3gpa s ASN 91 CO 0.00 -0.98 1.66 0.40 -2.94 0.00 0.00 177.10 175.24 3gpa h ILE 92 N 2.37 0.00 0.00 0.54 1.08 -1.86 -1.72 117.51 117.92 3gpa h ILE 92 Ca -0.30 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 3gpa h ILE 92 Cb 1.24 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 3gpa h ILE 92 CO 0.43 0.00 -0.96 0.18 -0.69 0.00 0.00 178.15 177.11 3gpa n LEU 93 N -2.33 0.66 -4.12 1.44 4.77 -1.26 -4.64 117.00 111.51 3gpa n LEU 93 Ca -0.01 -0.14 -0.37 0.00 -0.03 0.00 0.00 56.01 55.45 3gpa n LEU 93 Cb 0.13 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 3gpa n LEU 93 CO 0.10 0.11 -0.09 -0.89 -1.33 0.00 0.00 177.39 175.29 3gpa s THR 94 N -3.12 3.52 0.72 -5.08 2.01 -0.70 -5.03 115.64 107.96 3gpa s THR 94 Ca 0.06 -2.27 -0.16 0.00 0.31 0.00 0.00 61.69 59.63 3gpa s THR 94 Cb 0.15 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.32 3gpa s THR 94 CO 0.80 -0.75 1.25 -2.65 -0.69 0.00 0.00 174.62 172.58 3gpa n PRO 95 N 4.33 0.72 0.00 4.92 -0.02 -1.26 -2.89 135.00 140.80 3gpa n PRO 95 Ca -0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3gpa n PRO 95 Cb 0.40 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3gpa n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpa n GLY 96 N 0.77 2.86 4.00 -1.23 0.00 -1.26 -4.91 105.19 105.41 3gpa n GLY 96 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3gpa n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gpa s THR 97 N -2.78 3.41 0.09 2.61 -4.23 -1.14 -4.92 115.64 108.68 3gpa s THR 97 Ca 0.00 -0.94 -0.32 0.00 -1.18 0.00 0.00 61.69 59.25 3gpa s THR 97 Cb 0.00 -3.17 -0.14 0.00 1.34 0.00 0.00 72.50 70.53 3gpa s THR 97 CO 0.00 -0.07 1.60 0.40 -0.54 0.00 0.00 174.62 176.01 3gpa h ILE 98 N 0.67 0.22 -0.18 2.99 2.04 -0.94 0.56 117.51 122.86 3gpa h ILE 98 Ca -0.43 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 3gpa h ILE 98 Cb 1.27 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3gpa h ILE 98 CO 0.49 0.00 -0.27 0.03 0.00 0.00 0.00 178.15 178.40 3gpa h ARG 99 N -0.79 0.34 -0.48 2.37 3.08 -1.56 -0.88 114.38 116.46 3gpa h ARG 99 Ca -0.03 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 3gpa h ARG 99 Cb 0.71 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3gpa h ARG 99 CO -0.07 0.59 -0.09 0.78 -1.07 0.00 0.00 179.97 180.12 3gpa h GLY 100 N 1.03 0.98 1.82 0.04 0.00 -1.17 -1.55 103.07 104.22 3gpa h GLY 100 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 47.33 46.35 3gpa h GLY 100 CO 0.05 0.72 -1.12 -0.55 0.00 0.00 0.00 176.54 175.64 3gpa h ASP 101 N 0.75 0.18 0.00 0.19 3.32 -0.79 -3.41 116.42 116.66 3gpa h ASP 101 Ca 0.13 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gpa h ASP 101 Cb 0.63 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3gpa h ASP 101 CO 0.04 1.15 -0.36 0.18 -1.72 0.00 0.00 179.24 178.53 3gpa n LEU 102 N -3.42 0.03 -4.33 1.55 4.77 -0.34 -5.06 117.00 110.20 3gpa n LEU 102 Ca -0.04 -0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 55.39 3gpa n LEU 102 Cb 0.98 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.96 3gpa n LEU 102 CO 0.50 0.01 -0.48 0.00 -1.33 0.00 0.00 177.39 176.09 3gpa s ALA 103 N -1.39 1.96 -0.21 -1.18 0.00 -0.59 -5.02 121.76 115.34 3gpa s ALA 103 Ca 0.00 -1.48 0.18 0.00 0.00 0.00 0.00 51.96 50.66 3gpa s ALA 103 Cb 0.01 -0.17 0.40 0.00 0.00 0.00 0.00 23.12 23.36 3gpa s ALA 103 CO 0.04 0.21 1.23 -1.71 0.00 0.00 0.00 175.76 175.54 3gpa n ASN 104 N 0.28 0.27 -3.87 0.00 5.15 -1.26 -4.70 115.26 111.13 3gpa n ASN 104 Ca -0.13 -2.07 -0.11 0.00 -0.60 0.00 0.00 54.58 51.67 3gpa n ASN 104 Cb 0.57 -0.01 -0.09 0.00 -0.53 0.00 0.00 39.78 39.71 3gpa n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3gpa s ASP 105 N -2.37 0.03 0.28 1.20 -1.08 -1.26 -5.05 116.67 108.42 3gpa s ASP 105 Ca 0.20 -0.25 0.24 0.00 -0.52 0.00 0.00 52.55 52.21 3gpa s ASP 105 Cb 0.33 0.23 0.38 0.00 -1.46 0.00 0.00 42.92 42.40 3gpa s ASP 105 CO -0.08 -0.42 1.48 0.16 0.52 0.00 0.00 175.17 176.83 3gpa h ILE 106 N 4.05 0.00 0.00 4.11 -2.65 -2.02 -3.38 117.51 117.62 3gpa h ILE 106 Ca -0.31 -0.78 -0.15 0.00 1.03 0.00 0.00 64.86 64.65 3gpa h ILE 106 Cb 1.19 1.60 -0.02 0.00 -2.05 0.00 0.00 36.82 37.54 3gpa h ILE 106 CO 0.43 0.00 -1.35 -1.14 0.03 0.00 0.00 178.15 176.12 3gpa n ARG 107 N -2.63 0.54 -2.86 0.16 0.63 -1.26 -4.82 116.66 106.41 3gpa n ARG 107 Ca 0.03 0.31 -0.43 0.00 -0.92 0.00 0.00 57.85 56.84 3gpa n ARG 107 Cb 0.49 -1.52 -0.02 0.00 0.45 0.00 0.00 32.46 31.86 3gpa n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3gpa s GLU 108 N -2.64 3.70 -0.12 -0.14 2.02 -1.26 -4.74 118.70 115.52 3gpa s GLU 108 Ca -0.29 -1.83 0.15 0.00 0.02 0.00 0.00 54.97 53.02 3gpa s GLU 108 Cb 0.07 -5.03 0.32 0.00 0.10 0.00 0.00 34.13 29.59 3gpa s GLU 108 CO 0.42 -1.86 1.16 0.27 0.02 0.00 0.00 175.26 175.28 3gpa n ASN 109 N 6.80 1.54 0.00 -0.19 0.23 -1.26 -4.03 115.26 118.35 3gpa n ASN 109 Ca 0.29 -3.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.27 3gpa n ASN 109 Cb 0.48 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3gpa n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3gpa n LEU 110 N -0.78 0.00 -3.85 -4.53 4.77 -1.26 -4.80 117.00 106.55 3gpa n LEU 110 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3gpa n LEU 110 Cb 0.76 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.72 3gpa n LEU 110 CO -0.02 0.00 -0.25 -0.51 -1.33 0.00 0.00 177.39 175.29 3gpa s ILE 111 N 0.00 0.02 -0.08 -0.08 2.07 -1.26 -0.61 121.20 121.26 3gpa s ILE 111 Ca 0.00 -0.14 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3gpa s ILE 111 Cb 0.00 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 3gpa s ILE 111 CO 0.00 -0.08 -0.14 -2.28 -1.91 0.00 0.00 174.94 170.53 3gpa s HIS 112 N -0.21 2.73 -0.01 3.50 5.65 0.08 -4.96 115.29 122.07 3gpa s HIS 112 Ca -0.03 -0.33 0.02 0.00 0.25 0.00 0.00 55.06 54.98 3gpa s HIS 112 Cb -0.02 -1.70 -0.00 0.00 -1.18 0.00 0.00 32.58 29.68 3gpa s HIS 112 CO 0.00 0.05 -0.08 0.00 -0.65 0.00 0.00 174.74 174.07 3gpa s ALA 113 N -0.37 0.66 0.46 1.58 0.00 -1.26 -0.84 121.76 121.99 3gpa s ALA 113 Ca 0.04 -0.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3gpa s ALA 113 Cb -0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3gpa s ALA 113 CO 0.02 0.14 1.06 0.43 0.00 0.00 0.00 175.76 177.42 3gpa n SER 114 N 3.00 1.45 -0.62 0.00 7.64 -0.85 -4.90 113.62 119.34 3gpa n SER 114 Ca -0.14 1.00 0.07 0.00 1.01 0.00 0.00 58.87 60.80 3gpa n SER 114 Cb 0.57 -1.40 0.09 0.00 -1.01 0.00 0.00 64.21 62.46 3gpa n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gpa n ASP 115 N 0.15 2.41 -3.61 6.43 5.75 -1.26 -4.66 116.55 121.76 3gpa n ASP 115 Ca 0.10 -1.68 -0.08 0.00 -0.01 0.00 0.00 54.79 53.11 3gpa n ASP 115 Cb 0.41 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3gpa n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gpa s SER 116 N -1.13 -0.36 0.21 -1.12 1.04 -1.26 -4.98 113.70 106.10 3gpa s SER 116 Ca 0.19 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.32 3gpa s SER 116 Cb 0.13 0.54 0.23 0.00 0.10 0.00 0.00 66.02 67.02 3gpa s SER 116 CO 0.18 -0.94 1.81 -0.33 0.98 0.00 0.00 173.24 174.95 3gpa h GLU 117 N 2.00 0.69 0.03 4.02 5.08 -1.96 0.14 114.58 124.56 3gpa h GLU 117 Ca -0.25 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3gpa h GLU 117 Cb 1.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gpa h GLU 117 CO 0.30 0.45 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.31 3gpa h ASP 118 N 0.71 -0.03 -0.51 1.42 3.32 -2.00 -1.61 116.42 117.72 3gpa h ASP 118 Ca 0.30 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 3gpa h ASP 118 Cb 0.16 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3gpa h ASP 118 CO -0.17 0.05 -0.12 0.77 -1.72 0.00 0.00 179.24 178.05 3gpa h SER 119 N -0.11 0.98 -0.35 6.45 4.64 -1.88 -2.21 113.55 121.08 3gpa h SER 119 Ca -0.00 -0.36 0.08 0.00 -0.47 0.00 0.00 61.79 61.03 3gpa h SER 119 Cb 0.10 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 61.84 3gpa h SER 119 CO 0.01 1.12 -0.18 0.00 -0.87 0.00 0.00 176.83 176.90 3gpa h ALA 120 N 0.90 0.08 -0.30 5.18 0.00 -0.58 0.56 119.26 125.11 3gpa h ALA 120 Ca 0.13 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3gpa h ALA 120 Cb 0.69 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3gpa h ALA 120 CO 0.05 -0.56 0.15 0.28 0.00 0.00 0.00 179.25 179.17 3gpa h VAL 121 N -0.12 1.15 -0.37 0.00 2.07 -1.17 0.13 116.25 117.94 3gpa h VAL 121 Ca 0.18 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 3gpa h VAL 121 Cb 0.39 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3gpa h VAL 121 CO -0.43 0.15 0.22 -0.78 0.02 0.00 0.00 177.57 176.76 3gpa h ASP 122 N 0.36 0.45 -0.23 0.57 3.58 -0.81 -2.10 116.42 118.23 3gpa h ASP 122 Ca 0.10 -0.07 -0.18 0.00 0.42 0.00 0.00 57.03 57.31 3gpa h ASP 122 Cb 0.11 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 3gpa h ASP 122 CO -0.01 0.39 -0.53 -0.33 -2.88 0.00 0.00 179.24 175.88 3gpa h GLU 123 N 0.48 0.82 -0.86 0.28 5.08 0.37 -1.83 114.58 118.92 3gpa h GLU 123 Ca 0.13 -0.51 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3gpa h GLU 123 Cb 0.02 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3gpa h GLU 123 CO -0.02 1.14 0.55 0.82 -1.00 0.00 0.00 179.01 180.50 3gpa h ILE 124 N 0.63 1.13 0.00 3.13 2.04 -0.95 -2.05 117.51 121.44 3gpa h ILE 124 Ca 0.02 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 3gpa h ILE 124 Cb 1.12 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3gpa h ILE 124 CO 0.11 0.19 -0.36 0.77 0.00 0.00 0.00 178.15 178.87 3gpa h SER 125 N 1.07 0.00 0.06 1.72 4.64 -1.06 0.38 113.55 120.37 3gpa h SER 125 Ca 0.34 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3gpa h SER 125 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3gpa h SER 125 CO -0.12 0.36 -0.03 0.40 -0.87 0.00 0.00 176.83 176.57 3gpa h ILE 126 N 0.00 1.18 0.00 0.95 2.04 -0.80 -2.90 117.51 117.99 3gpa h ILE 126 Ca -0.00 -0.86 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 3gpa h ILE 126 Cb 0.78 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 3gpa h ILE 126 CO 0.05 0.21 -1.00 -0.50 0.00 0.00 0.00 178.15 176.91 3gpa h TRP 127 N -0.47 0.00 -2.08 1.37 4.06 -1.26 -3.38 115.95 114.19 3gpa h TRP 127 Ca -0.01 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.38 3gpa h TRP 127 Cb 0.41 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.17 3gpa h TRP 127 CO 0.05 0.49 -0.95 1.19 -3.56 0.00 0.00 178.44 175.67 3gpa n PHE 128 N -3.00 1.23 0.13 0.49 3.72 0.13 -4.96 117.46 115.20 3gpa n PHE 128 Ca -0.04 -3.81 0.20 0.00 -0.05 0.00 0.00 57.45 53.75 3gpa n PHE 128 Cb 0.77 -0.43 0.75 0.00 -0.94 0.00 0.00 39.48 39.63 3gpa n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3gpa h PRO 129 N 3.73 0.00 -0.01 -1.08 0.13 -1.66 -3.40 132.00 129.70 3gpa h PRO 129 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gpa h PRO 129 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3gpa h PRO 129 CO 0.60 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.76