#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g35 n LYS 2 N 0.00 0.13 -1.01 3.23 4.01 -1.26 -2.48 118.16 120.78 2g35 n LYS 2 Ca 0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 2g35 n LYS 2 Cb 0.00 -1.32 0.10 0.00 -0.51 0.00 0.00 35.03 33.30 2g35 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2g35 n THR 3 N -0.82 2.92 -0.43 -0.18 -1.04 -1.26 -4.94 114.28 108.53 2g35 n THR 3 Ca 0.02 -1.84 -0.18 0.00 -2.04 0.00 0.00 64.05 60.01 2g35 n THR 3 Cb 0.01 -0.91 0.17 0.00 -1.82 0.00 0.00 70.33 67.78 2g35 n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2g35 n TYR 4 N -0.52 -2.73 -1.53 -1.42 4.02 -1.03 -4.42 117.16 109.52 2g35 n TYR 4 Ca 0.46 -0.20 -0.17 0.00 -0.01 0.00 0.00 57.90 57.98 2g35 n TYR 4 Cb 1.02 -1.27 -0.14 0.00 -0.02 0.00 0.00 39.34 38.92 2g35 n TYR 4 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2g35 n GLY 5 N -2.16 -0.31 3.12 2.72 0.00 -1.26 -4.85 105.19 102.46 2g35 n GLY 5 Ca 0.08 0.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 2g35 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2g35 s VAL 6 N 8.11 1.22 -0.73 1.61 1.01 -1.26 -5.03 120.40 125.33 2g35 s VAL 6 Ca 1.10 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 2g35 s VAL 6 Cb -0.45 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 34.95 2g35 s VAL 6 CO 0.30 0.35 1.17 -0.44 0.00 0.00 0.00 175.10 176.48 2g35 s SER 7 N -0.27 6.19 0.18 3.32 0.01 -1.25 -4.88 113.70 116.99 2g35 s SER 7 Ca 0.04 -0.73 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 2g35 s SER 7 Cb -0.07 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2g35 s SER 7 CO -0.00 -1.66 0.67 0.72 0.41 0.00 0.00 173.24 173.38 2g35 s PHE 8 N 5.02 3.70 -0.04 2.43 -0.12 -1.26 -1.82 117.98 125.88 2g35 s PHE 8 Ca 0.31 1.34 0.04 0.00 -0.05 0.00 0.00 56.93 58.57 2g35 s PHE 8 Cb -0.11 -2.57 -0.00 0.00 -0.63 0.00 0.00 43.02 39.71 2g35 s PHE 8 CO 0.11 0.41 -0.17 -0.06 -0.05 0.00 0.00 175.22 175.47 2g35 s PHE 9 N -1.40 1.71 -0.55 3.49 0.40 -0.42 -4.79 117.98 116.41 2g35 s PHE 9 Ca 0.39 -0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 55.95 2g35 s PHE 9 Cb -0.18 -1.15 0.02 0.00 0.51 0.00 0.00 43.02 42.22 2g35 s PHE 9 CO 0.21 -0.17 1.30 -1.17 0.70 0.00 0.00 175.22 176.10 2g35 s LEU 10 N 0.04 3.45 0.05 -0.37 2.96 -1.26 -1.29 118.68 122.26 2g35 s LEU 10 Ca -0.04 0.26 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2g35 s LEU 10 Cb -0.11 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.38 2g35 s LEU 10 CO 0.02 -1.57 -0.23 0.68 -1.32 0.00 0.00 176.35 173.94 2g35 s VAL 11 N 5.45 2.44 -0.09 1.68 -7.23 0.56 -4.74 120.40 118.47 2g35 s VAL 11 Ca 0.49 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.30 2g35 s VAL 11 Cb -0.09 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2g35 s VAL 11 CO 0.26 0.33 0.00 -0.54 -0.31 0.00 0.00 175.10 174.84 2g35 s LYS 12 N -1.41 3.07 0.26 4.82 1.02 -0.63 0.65 119.74 127.53 2g35 s LYS 12 Ca 0.13 -0.41 0.06 0.00 0.02 0.00 0.00 55.97 55.77 2g35 s LYS 12 Cb -0.10 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2g35 s LYS 12 CO 0.04 0.65 0.26 -1.21 -0.92 0.00 0.00 175.35 174.17 2g35 s GLU 13 N -0.73 3.08 -0.27 1.68 2.02 0.26 0.41 118.70 125.14 2g35 s GLU 13 Ca 0.11 -0.98 -0.10 0.00 0.02 0.00 0.00 54.97 54.03 2g35 s GLU 13 Cb -0.12 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 2g35 s GLU 13 CO 0.02 0.38 0.15 0.15 0.02 0.00 0.00 175.26 175.98 2g35 s LYS 14 N -3.91 3.86 0.62 1.61 -0.14 -1.26 0.70 119.74 121.22 2g35 s LYS 14 Ca 0.34 -0.37 -0.17 0.00 -1.36 0.00 0.00 55.97 54.42 2g35 s LYS 14 Cb -0.08 -3.56 -0.02 0.00 -1.68 0.00 0.00 37.83 32.49 2g35 s LYS 14 CO 0.27 -0.18 1.13 -1.64 -0.76 0.00 0.00 175.35 174.16 2g35 s MET 15 N 1.72 2.96 0.00 1.68 -1.94 -1.26 -4.89 119.30 117.57 2g35 s MET 15 Ca 0.07 1.53 0.00 0.00 -1.71 0.00 0.00 55.69 55.58 2g35 s MET 15 Cb -0.16 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.72 2g35 s MET 15 CO 0.09 -1.15 0.00 1.63 -0.01 0.00 0.00 175.02 175.58 2g35 n LYS 16 N -1.99 0.00 0.00 2.03 4.01 -1.26 -3.47 118.16 117.49 2g35 n LYS 16 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2g35 n LYS 16 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 2g35 n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2g35 n GLY 17 N -0.91 0.91 3.68 0.72 0.00 -1.26 -5.05 105.19 103.28 2g35 n GLY 17 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2g35 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g35 n LYS 18 N -0.27 2.34 0.00 1.61 4.76 -1.23 -4.72 118.16 120.66 2g35 n LYS 18 Ca 0.00 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 2g35 n LYS 18 Cb 0.00 -2.68 0.00 0.00 -1.84 0.00 0.00 35.03 30.51 2g35 n LYS 18 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2g35 n ASN 19 N 5.22 0.00 -3.11 4.39 6.94 -1.26 -4.36 115.26 123.08 2g35 n ASN 19 Ca 0.19 0.36 -0.17 0.00 -0.02 0.00 0.00 54.58 54.94 2g35 n ASN 19 Cb 0.31 -0.36 0.15 0.00 -2.36 0.00 0.00 39.78 37.52 2g35 n ASN 19 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 2g35 n LYS 20 N -1.36 -2.51 -4.09 -3.83 3.00 -1.26 -5.02 118.16 103.10 2g35 n LYS 20 Ca 0.00 -0.96 -0.08 0.00 -0.00 0.00 0.00 58.31 57.27 2g35 n LYS 20 Cb 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 35.03 33.97 2g35 n LYS 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2g35 s LEU 21 N 0.00 2.46 -0.22 3.14 1.43 -1.26 -4.18 118.68 120.05 2g35 s LEU 21 Ca 0.40 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 2g35 s LEU 21 Cb -0.04 0.16 0.05 0.00 0.03 0.00 0.00 46.19 46.38 2g35 s LEU 21 CO 0.31 -0.55 -0.11 -0.69 0.23 0.00 0.00 176.35 175.54 2g35 s VAL 22 N -3.59 1.85 0.58 -1.59 1.01 0.22 -4.87 120.40 114.01 2g35 s VAL 22 Ca 0.05 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 2g35 s VAL 22 Cb 0.06 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 2g35 s VAL 22 CO -0.08 0.13 1.21 -2.65 0.00 0.00 0.00 175.10 173.71 2g35 n PRO 23 N 4.60 1.29 -3.64 2.72 -0.02 -1.26 0.89 135.00 139.57 2g35 n PRO 23 Ca -0.15 0.49 -0.15 0.00 -2.02 0.00 0.00 63.50 61.66 2g35 n PRO 23 Cb 0.45 -2.41 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 2g35 n PRO 23 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2g35 s ARG 24 N -2.92 0.82 -0.08 -0.52 6.06 0.21 -4.21 118.95 118.31 2g35 s ARG 24 Ca 0.75 0.21 -0.03 0.00 -2.50 0.00 0.00 55.73 54.16 2g35 s ARG 24 Cb -0.42 0.38 -0.04 0.00 0.06 0.00 0.00 34.95 34.94 2g35 s ARG 24 CO 0.47 -0.22 0.06 -0.51 -2.50 0.00 0.00 175.30 172.59 2g35 s LEU 25 N -0.91 3.87 -0.25 -0.88 1.43 0.60 -0.32 118.68 122.21 2g35 s LEU 25 Ca -0.09 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2g35 s LEU 25 Cb -0.03 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.28 2g35 s LEU 25 CO 0.06 0.37 -0.04 -0.22 0.23 0.00 0.00 176.35 176.74 2g35 s LEU 26 N -1.10 2.91 -0.08 1.79 2.96 -0.41 -0.34 118.68 124.40 2g35 s LEU 26 Ca 0.16 -1.35 -0.24 0.00 -0.22 0.00 0.00 54.13 52.48 2g35 s LEU 26 Cb -0.12 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2g35 s LEU 26 CO 0.05 -0.26 0.72 -0.83 -1.32 0.00 0.00 176.35 174.71 2g35 s GLY 27 N 1.32 2.54 -0.30 7.98 0.00 -0.92 -1.30 107.32 116.64 2g35 s GLY 27 Ca -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 2g35 s GLY 27 CO -0.08 1.25 0.03 -0.42 0.00 0.00 0.00 173.10 173.89 2g35 s ILE 28 N 1.01 3.39 0.75 0.90 -1.09 -0.76 -0.50 121.20 124.90 2g35 s ILE 28 Ca 0.37 -1.08 -0.03 0.00 -2.23 0.00 0.00 60.65 57.69 2g35 s ILE 28 Cb -0.18 -2.85 0.15 0.00 -1.58 0.00 0.00 42.46 38.01 2g35 s ILE 28 CO 0.17 -0.01 1.02 0.41 -1.23 0.00 0.00 174.94 175.30 2g35 n THR 29 N 4.74 0.00 0.97 2.92 -1.04 0.38 -3.91 114.28 118.34 2g35 n THR 29 Ca -0.14 -1.43 0.14 0.00 -2.04 0.00 0.00 64.05 60.58 2g35 n THR 29 Cb 0.46 -1.01 0.59 0.00 -1.82 0.00 0.00 70.33 68.55 2g35 n THR 29 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2g35 n LYS 30 N -2.95 0.02 -0.04 -2.82 2.85 -1.26 -3.92 118.16 110.05 2g35 n LYS 30 Ca 0.16 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 2g35 n LYS 30 Cb 0.57 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 2g35 n LYS 30 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2g35 n GLU 31 N -1.56 0.00 -3.50 -1.58 1.02 -1.26 -4.81 120.64 108.96 2g35 n GLU 31 Ca 0.07 -0.38 -0.09 0.00 -0.02 0.00 0.00 57.16 56.74 2g35 n GLU 31 Cb 0.35 -0.35 -0.02 0.00 -0.02 0.00 0.00 31.44 31.39 2g35 n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2g35 s VAL 33 N -3.35 2.03 0.08 0.00 1.01 0.26 0.14 120.40 120.57 2g35 s VAL 33 Ca 0.04 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.77 2g35 s VAL 33 Cb -0.01 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2g35 s VAL 33 CO -0.09 0.39 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 2g35 s MET 34 N -1.07 0.75 -0.08 2.72 0.23 0.35 0.28 119.30 122.48 2g35 s MET 34 Ca 0.11 -1.01 -0.18 0.00 -1.03 0.00 0.00 55.69 53.57 2g35 s MET 34 Cb -0.10 -0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.64 2g35 s MET 34 CO 0.01 0.09 0.48 1.03 -2.03 0.00 0.00 175.02 174.60 2g35 s ARG 35 N -2.28 4.26 -0.06 3.16 0.52 0.94 -2.17 118.95 123.32 2g35 s ARG 35 Ca -0.00 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 2g35 s ARG 35 Cb -0.06 -3.38 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2g35 s ARG 35 CO 0.00 0.28 -0.04 0.08 0.02 0.00 0.00 175.30 175.65 2g35 s VAL 36 N 0.20 0.57 0.46 3.52 1.01 0.54 0.19 120.40 126.89 2g35 s VAL 36 Ca 0.26 -0.08 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 2g35 s VAL 36 Cb -0.16 -0.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 2g35 s VAL 36 CO 0.12 0.26 1.09 -0.62 0.00 0.00 0.00 175.10 175.95 2g35 s ASP 37 N 1.32 6.30 0.13 3.32 -1.08 -0.48 0.22 116.67 126.40 2g35 s ASP 37 Ca -0.05 2.11 0.20 0.00 -0.52 0.00 0.00 52.55 54.29 2g35 s ASP 37 Cb -0.14 -2.58 -0.07 0.00 -1.46 0.00 0.00 42.92 38.67 2g35 s ASP 37 CO -0.02 -0.82 0.93 1.21 0.52 0.00 0.00 175.17 176.99 2g35 n GLU 38 N -0.65 0.61 0.00 4.34 0.00 -1.26 -0.71 120.64 122.98 2g35 n GLU 38 Ca 0.08 0.17 -0.13 0.00 0.00 0.00 0.00 57.16 57.28 2g35 n GLU 38 Cb 0.50 -1.81 -0.10 0.00 0.00 0.00 0.00 31.44 30.03 2g35 n GLU 38 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2g35 h LYS 39 N 0.00 -0.07 -0.02 5.31 3.64 -1.92 -3.33 116.57 120.19 2g35 h LYS 39 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2g35 h LYS 39 Cb 1.29 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2g35 h LYS 39 CO 0.02 0.47 -0.29 0.25 -2.27 0.00 0.00 179.45 177.63 2g35 n THR 40 N -4.85 0.00 -1.74 1.00 -2.24 -1.26 -4.94 114.28 100.25 2g35 n THR 40 Ca -0.09 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 2g35 n THR 40 Cb 0.29 1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 2g35 n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2g35 n LYS 41 N 0.29 -1.61 -3.54 -0.78 5.02 0.12 -4.91 118.16 112.75 2g35 n LYS 41 Ca 0.09 0.69 -0.20 0.00 -2.02 0.00 0.00 58.31 56.87 2g35 n LYS 41 Cb 0.44 -5.05 -0.01 0.00 -0.02 0.00 0.00 35.03 30.39 2g35 n LYS 41 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2g35 s GLU 42 N -3.75 3.21 -0.19 1.97 2.56 -1.24 -4.83 118.70 116.43 2g35 s GLU 42 Ca 0.00 -0.85 -0.22 0.00 0.00 0.00 0.00 54.97 53.90 2g35 s GLU 42 Cb 0.00 -2.80 -0.02 0.00 2.00 0.00 0.00 34.13 33.31 2g35 s GLU 42 CO 0.00 0.12 0.68 0.08 -0.56 0.00 0.00 175.26 175.58 2g35 s VAL 43 N -2.18 4.99 -0.13 3.70 1.01 -1.26 -1.38 120.40 125.16 2g35 s VAL 43 Ca 0.42 1.29 0.17 0.00 0.00 0.00 0.00 61.98 63.87 2g35 s VAL 43 Cb -0.09 -3.99 -0.23 0.00 0.00 0.00 0.00 36.38 32.07 2g35 s VAL 43 CO 0.32 0.10 0.45 -0.38 0.00 0.00 0.00 175.10 175.58 2g35 n ILE 44 N 4.68 1.18 -3.68 2.22 2.08 0.51 -4.95 119.36 121.40 2g35 n ILE 44 Ca -0.00 -0.75 -0.09 0.00 0.56 0.00 0.00 62.75 62.47 2g35 n ILE 44 Cb 0.50 -0.58 -0.02 0.00 -0.75 0.00 0.00 39.64 38.78 2g35 n ILE 44 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 2g35 s GLN 45 N -2.78 1.56 0.01 0.38 0.74 -1.04 -4.87 119.66 113.66 2g35 s GLN 45 Ca -0.07 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 54.60 2g35 s GLN 45 Cb 0.08 0.59 -0.01 0.00 1.10 0.00 0.00 33.01 34.77 2g35 s GLN 45 CO 0.83 -0.70 -0.12 -1.21 -0.55 0.00 0.00 175.29 173.54 2g35 s GLU 46 N -3.85 0.90 0.03 1.67 2.02 -1.26 -0.04 118.70 118.17 2g35 s GLU 46 Ca 0.07 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.51 2g35 s GLU 46 Cb -0.04 -0.88 -0.03 0.00 0.10 0.00 0.00 34.13 33.29 2g35 s GLU 46 CO -0.01 0.23 -0.03 -1.58 0.02 0.00 0.00 175.26 173.89 2g35 s TRP 47 N -0.53 0.38 0.38 1.61 0.52 0.80 -4.92 118.94 117.17 2g35 s TRP 47 Ca 0.03 -0.77 -0.09 0.00 0.02 0.00 0.00 56.10 55.28 2g35 s TRP 47 Cb -0.06 -0.28 -0.06 0.00 -1.15 0.00 0.00 33.47 31.92 2g35 s TRP 47 CO 0.00 -0.28 0.72 -1.54 0.02 0.00 0.00 176.95 175.88 2g35 s SER 48 N -2.12 6.52 0.30 2.95 1.04 -1.26 0.92 113.70 122.03 2g35 s SER 48 Ca -0.06 1.05 0.24 0.00 0.48 0.00 0.00 55.95 57.67 2g35 s SER 48 Cb -0.02 -2.29 0.47 0.00 0.10 0.00 0.00 66.02 64.29 2g35 s SER 48 CO -0.05 -0.35 1.58 -0.07 0.98 0.00 0.00 173.24 175.33 2g35 h LEU 49 N 1.39 0.00 -0.15 2.42 3.38 -1.62 -3.16 115.31 117.58 2g35 h LEU 49 Ca -0.47 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2g35 h LEU 49 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2g35 h LEU 49 CO 0.64 0.01 -0.33 0.35 0.09 0.00 0.00 178.44 179.21 2g35 n THR 50 N -2.64 0.00 0.14 0.22 -2.24 -1.26 -3.69 114.28 104.81 2g35 n THR 50 Ca 0.04 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 2g35 n THR 50 Cb 0.49 0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 2g35 n THR 50 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2g35 h ASN 51 N 0.37 0.00 -2.88 3.42 -0.00 -1.94 -3.45 115.58 111.10 2g35 h ASN 51 Ca 0.00 -0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.77 2g35 h ASN 51 Cb 0.48 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.83 2g35 h ASN 51 CO 0.00 0.00 0.84 -0.63 -0.00 0.00 0.00 177.43 177.64 2g35 s ILE 52 N -3.32 3.12 -0.22 6.14 1.01 -1.24 -4.53 121.20 122.16 2g35 s ILE 52 Ca 0.02 0.73 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 2g35 s ILE 52 Cb 0.08 -3.47 -0.15 0.00 0.01 0.00 0.00 42.46 38.93 2g35 s ILE 52 CO 0.76 0.04 0.01 1.17 0.00 0.00 0.00 174.94 176.91 2g35 n LYS 53 N 4.48 0.56 -3.96 2.79 4.81 0.18 -4.99 118.16 122.03 2g35 n LYS 53 Ca 0.13 0.48 -0.12 0.00 -0.87 0.00 0.00 58.31 57.94 2g35 n LYS 53 Cb 0.41 -1.67 -0.01 0.00 0.02 0.00 0.00 35.03 33.78 2g35 n LYS 53 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2g35 s ARG 54 N -2.41 2.02 0.29 1.64 1.70 -1.24 -4.99 118.95 115.96 2g35 s ARG 54 Ca -0.30 -1.56 -0.18 0.00 -0.47 0.00 0.00 55.73 53.22 2g35 s ARG 54 Cb 0.08 0.53 0.02 0.00 -0.57 0.00 0.00 34.95 35.01 2g35 s ARG 54 CO 0.52 -0.89 0.69 1.67 -1.08 0.00 0.00 175.30 176.21 2g35 s TRP 55 N -2.84 -0.02 -0.17 5.89 -2.14 -1.26 -1.25 118.94 117.14 2g35 s TRP 55 Ca 0.23 -0.46 -0.04 0.00 2.66 0.00 0.00 56.10 58.49 2g35 s TRP 55 Cb -0.03 0.63 0.09 0.00 -3.10 0.00 0.00 33.47 31.06 2g35 s TRP 55 CO 0.15 -1.25 0.26 0.00 -2.66 0.00 0.00 176.95 173.46 2g35 s ALA 56 N -3.66 -0.53 -0.31 2.67 0.00 -0.28 -4.96 121.76 114.70 2g35 s ALA 56 Ca 0.14 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.65 2g35 s ALA 56 Cb -0.05 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2g35 s ALA 56 CO 0.08 -0.95 0.26 0.00 0.00 0.00 0.00 175.76 175.15 2g35 s ALA 57 N 2.40 3.52 0.27 0.00 0.00 -1.26 -1.53 121.76 125.17 2g35 s ALA 57 Ca 0.05 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.90 2g35 s ALA 57 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 2g35 s ALA 57 CO -0.11 -0.79 0.40 -1.12 0.00 0.00 0.00 175.76 174.14 2g35 s SER 58 N 1.73 6.21 0.00 0.00 0.01 0.13 -4.90 113.70 116.88 2g35 s SER 58 Ca 0.09 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2g35 s SER 58 Cb -0.16 -1.67 0.00 0.00 0.21 0.00 0.00 66.02 64.39 2g35 s SER 58 CO 0.11 -0.19 0.32 -0.81 0.41 0.00 0.00 173.24 173.08 2g35 n PRO 59 N -1.49 0.00 0.00 12.44 -0.04 -1.26 -2.95 135.00 141.69 2g35 n PRO 59 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2g35 n PRO 59 Cb 0.57 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2g35 n PRO 59 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2g35 n LYS 60 N -0.81 1.14 -4.52 0.54 2.85 -1.25 -4.81 118.16 111.29 2g35 n LYS 60 Ca 0.00 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.02 2g35 n LYS 60 Cb 0.00 -0.26 -0.10 0.00 -0.65 0.00 0.00 35.03 34.02 2g35 n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2g35 s SER 61 N -0.64 2.88 -0.02 -5.58 1.04 -1.15 0.29 113.70 110.52 2g35 s SER 61 Ca 0.00 -1.45 -0.03 0.00 0.48 0.00 0.00 55.95 54.96 2g35 s SER 61 Cb 0.00 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2g35 s SER 61 CO 0.00 -0.65 0.08 0.12 0.98 0.00 0.00 173.24 173.77 2g35 s PHE 62 N -3.13 -0.06 0.02 5.02 5.36 -0.86 0.20 117.98 124.53 2g35 s PHE 62 Ca 0.32 0.14 0.03 0.00 -0.96 0.00 0.00 56.93 56.45 2g35 s PHE 62 Cb 0.07 0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.75 2g35 s PHE 62 CO 0.15 -0.07 -0.09 0.99 -1.46 0.00 0.00 175.22 174.74 2g35 s THR 63 N -0.15 0.65 0.07 0.12 2.01 -0.58 -2.19 115.64 115.58 2g35 s THR 63 Ca -0.02 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.24 2g35 s THR 63 Cb -0.02 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2g35 s THR 63 CO 0.00 -0.10 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.28 2g35 s LEU 64 N -0.95 2.41 -0.07 4.42 0.05 -0.81 -1.12 118.68 122.62 2g35 s LEU 64 Ca -0.03 -0.83 0.02 0.00 0.05 0.00 0.00 54.13 53.34 2g35 s LEU 64 Cb -0.07 -0.09 0.02 0.00 -2.05 0.00 0.00 46.19 44.00 2g35 s LEU 64 CO 0.00 -0.38 -0.10 -1.81 -0.55 0.00 0.00 176.35 173.51 2g35 s ASP 65 N -2.49 1.67 0.00 1.48 1.11 -0.38 -2.11 116.67 115.95 2g35 s ASP 65 Ca 0.03 -0.27 0.26 0.00 0.18 0.00 0.00 52.55 52.75 2g35 s ASP 65 Cb -0.00 -0.76 0.62 0.00 1.07 0.00 0.00 42.92 43.84 2g35 s ASP 65 CO -0.03 0.00 1.48 0.49 1.18 0.00 0.00 175.17 178.29 2g35 n PHE 66 N 3.97 0.00 -0.52 4.23 3.72 -1.26 0.49 117.46 128.09 2g35 n PHE 66 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2g35 n PHE 66 Cb 0.51 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 2g35 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2g35 n GLY 67 N 1.35 1.90 3.50 1.37 0.00 -1.26 -4.67 105.19 107.39 2g35 n GLY 67 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2g35 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g35 s ASP 68 N -3.45 6.53 0.32 1.61 1.01 -1.26 -4.86 116.67 116.57 2g35 s ASP 68 Ca 0.00 -1.65 0.08 0.00 0.71 0.00 0.00 52.55 51.69 2g35 s ASP 68 Cb 0.00 -2.48 0.91 0.00 1.01 0.00 0.00 42.92 42.35 2g35 s ASP 68 CO 0.00 -1.32 1.62 0.22 0.21 0.00 0.00 175.17 175.90 2g35 h TYR 69 N 9.36 0.46 0.15 4.23 3.20 -1.92 0.16 116.97 132.61 2g35 h TYR 69 Ca 0.13 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2g35 h TYR 69 Cb 1.02 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2g35 h TYR 69 CO 1.21 -0.30 -0.15 -0.56 -1.64 0.00 0.00 178.16 176.71 2g35 h GLN 70 N 0.15 -0.32 -0.55 1.82 3.07 -2.03 -2.67 115.11 114.58 2g35 h GLN 70 Ca 0.65 0.02 -0.09 0.00 0.09 0.00 0.00 58.65 59.33 2g35 h GLN 70 Cb 1.45 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 29.06 2g35 h GLN 70 CO -0.73 -0.21 0.00 0.22 0.09 0.00 0.00 178.83 178.20 2g35 h ASP 71 N -0.33 0.92 -4.25 0.06 3.58 -1.22 -3.49 116.42 111.69 2g35 h ASP 71 Ca 0.00 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2g35 h ASP 71 Cb 0.31 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2g35 h ASP 71 CO -0.04 0.98 0.00 0.61 -2.88 0.00 0.00 179.24 177.91 2g35 n GLY 72 N -0.52 -2.41 3.91 -0.78 0.00 0.28 -4.94 105.19 100.73 2g35 n GLY 72 Ca 0.03 -1.64 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 2g35 n GLY 72 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2g35 s TYR 73 N -0.51 3.13 -0.22 1.61 2.02 -1.26 -4.56 117.35 117.57 2g35 s TYR 73 Ca 0.00 0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 57.40 2g35 s TYR 73 Cb 0.00 -3.08 0.06 0.00 -0.40 0.00 0.00 41.96 38.55 2g35 s TYR 73 CO 0.00 -1.24 0.02 -0.47 -1.57 0.00 0.00 175.55 172.29 2g35 s TYR 74 N -3.26 1.48 0.06 2.71 5.04 -0.90 -5.01 117.35 117.48 2g35 s TYR 74 Ca 0.58 -1.21 0.07 0.00 -2.44 0.00 0.00 57.07 54.07 2g35 s TYR 74 Cb -0.11 -1.26 -0.03 0.00 0.35 0.00 0.00 41.96 40.91 2g35 s TYR 74 CO 0.47 -0.69 -0.19 0.45 -1.34 0.00 0.00 175.55 174.26 2g35 s SER 75 N 1.70 2.27 0.24 4.32 0.15 -1.26 -1.92 113.70 119.20 2g35 s SER 75 Ca -0.01 -0.57 -0.09 0.00 0.70 0.00 0.00 55.95 55.98 2g35 s SER 75 Cb -0.18 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 2g35 s SER 75 CO -0.10 0.09 0.40 0.68 1.20 0.00 0.00 173.24 175.51 2g35 s VAL 76 N -0.96 0.00 0.16 4.45 -7.23 -0.93 -4.89 120.40 111.01 2g35 s VAL 76 Ca 0.05 -1.57 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 2g35 s VAL 76 Cb -0.09 -2.32 -0.07 0.00 0.56 0.00 0.00 36.38 34.46 2g35 s VAL 76 CO 0.02 0.00 0.97 -1.10 -0.31 0.00 0.00 175.10 174.69 2g35 s GLN 77 N -3.96 4.73 -0.22 4.82 -1.52 0.17 -2.03 119.66 121.64 2g35 s GLN 77 Ca 0.27 1.50 -0.04 0.00 -1.95 0.00 0.00 55.36 55.15 2g35 s GLN 77 Cb 0.01 -3.33 0.12 0.00 -0.22 0.00 0.00 33.01 29.58 2g35 s GLN 77 CO 0.11 0.29 0.36 0.95 -0.25 0.00 0.00 175.29 176.74 2g35 s THR 78 N -0.40 -0.57 0.37 -0.19 -4.23 0.84 -1.60 115.64 109.86 2g35 s THR 78 Ca 0.45 -0.00 0.30 0.00 -1.18 0.00 0.00 61.69 61.26 2g35 s THR 78 Cb -0.25 -0.74 0.32 0.00 1.34 0.00 0.00 72.50 73.16 2g35 s THR 78 CO 0.31 -0.08 2.07 0.74 -0.54 0.00 0.00 174.62 177.12 2g35 h THR 79 N 6.20 0.43 -0.37 3.99 2.02 -1.84 -2.20 112.91 121.15 2g35 h THR 79 Ca -0.18 -0.53 -0.22 0.00 0.77 0.00 0.00 66.41 66.24 2g35 h THR 79 Cb 1.14 1.37 -0.14 0.00 -1.74 0.00 0.00 68.15 68.78 2g35 h THR 79 CO 0.23 0.10 -0.24 -0.62 0.37 0.00 0.00 175.52 175.36 2g35 n GLU 80 N -3.48 2.09 0.23 6.66 4.71 -1.26 -4.69 120.64 124.89 2g35 n GLU 80 Ca -0.01 -3.38 0.07 0.00 -0.01 0.00 0.00 57.16 53.83 2g35 n GLU 80 Cb 0.25 -1.87 0.39 0.00 -1.01 0.00 0.00 31.44 29.20 2g35 n GLU 80 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2g35 h GLY 81 N 1.23 0.00 0.16 0.62 0.00 -1.61 0.09 103.07 103.55 2g35 h GLY 81 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2g35 h GLY 81 CO 0.42 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 174.81 2g35 h GLU 82 N 0.00 -0.16 -0.55 4.80 4.81 -1.85 -2.53 114.58 119.10 2g35 h GLU 82 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2g35 h GLU 82 Cb 0.88 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.22 2g35 h GLU 82 CO 0.00 0.07 0.10 1.96 -0.73 0.00 0.00 179.01 180.41 2g35 h GLN 83 N -1.01 0.22 -0.48 1.92 4.20 -1.39 1.58 115.11 120.15 2g35 h GLN 83 Ca -0.02 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.81 2g35 h GLN 83 Cb 0.31 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2g35 h GLN 83 CO 0.03 0.15 0.34 0.82 -0.67 0.00 0.00 178.83 179.49 2g35 h ILE 84 N 0.23 0.79 0.00 2.54 2.04 -1.50 2.20 117.51 123.81 2g35 h ILE 84 Ca 0.28 -0.02 -0.24 0.00 1.00 0.00 0.00 64.86 65.89 2g35 h ILE 84 Cb 0.41 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2g35 h ILE 84 CO -0.38 0.01 -1.26 0.00 0.00 0.00 0.00 178.15 176.52 2g35 h ALA 85 N 1.76 0.53 0.21 1.87 0.00 0.19 -1.83 119.26 122.00 2g35 h ALA 85 Ca 0.23 -1.10 -0.32 0.00 0.00 0.00 0.00 54.91 53.72 2g35 h ALA 85 Cb 0.81 0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.74 2g35 h ALA 85 CO -0.02 1.34 -1.44 0.37 0.00 0.00 0.00 179.25 179.51 2g35 h GLN 86 N 0.00 0.45 -0.45 0.00 4.15 0.55 0.17 115.11 119.98 2g35 h GLN 86 Ca -0.12 -0.78 -0.13 0.00 0.77 0.00 0.00 58.65 58.40 2g35 h GLN 86 Cb 1.84 0.29 -0.01 0.00 0.21 0.00 0.00 27.48 29.81 2g35 h GLN 86 CO 0.11 1.37 -0.21 1.25 -1.93 0.00 0.00 178.83 179.41 2g35 h LEU 87 N 0.12 0.96 0.63 -2.39 5.85 0.33 0.14 115.31 120.96 2g35 h LEU 87 Ca -0.23 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 2g35 h LEU 87 Cb 2.11 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 42.88 2g35 h LEU 87 CO 0.25 1.15 -0.30 0.40 -0.34 0.00 0.00 178.44 179.60 2g35 h ILE 88 N 0.77 0.04 0.00 4.05 1.08 -1.36 -0.65 117.51 121.45 2g35 h ILE 88 Ca 0.10 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2g35 h ILE 88 Cb 0.79 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2g35 h ILE 88 CO 0.06 0.01 0.23 0.00 -0.69 0.00 0.00 178.15 177.76 2g35 h ALA 89 N -1.18 1.19 0.19 1.87 0.00 -0.66 0.68 119.26 121.36 2g35 h ALA 89 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 2g35 h ALA 89 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2g35 h ALA 89 CO 0.14 -0.19 -1.68 0.78 0.00 0.00 0.00 179.25 178.30 2g35 h GLY 90 N 0.00 0.47 1.69 0.00 0.00 -0.06 -3.24 103.07 101.93 2g35 h GLY 90 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 47.33 45.93 2g35 h GLY 90 CO 0.00 1.05 -0.85 -0.97 0.00 0.00 0.00 176.54 175.78 2g35 h TYR 91 N 0.11 0.41 0.00 5.60 0.05 0.63 -3.01 116.97 120.76 2g35 h TYR 91 Ca -0.32 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.22 2g35 h TYR 91 Cb 2.11 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.79 2g35 h TYR 91 CO 0.10 1.00 -0.16 0.82 -1.05 0.00 0.00 178.16 178.88 2g35 h ILE 92 N 0.17 0.76 0.00 -2.88 2.04 -1.44 -1.86 117.51 114.30 2g35 h ILE 92 Ca -0.05 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2g35 h ILE 92 Cb 1.46 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2g35 h ILE 92 CO 0.14 0.16 -0.57 0.44 0.00 0.00 0.00 178.15 178.31 2g35 h ASP 93 N 0.00 0.00 1.03 1.72 5.19 -1.56 -3.14 116.42 119.65 2g35 h ASP 93 Ca -0.00 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.28 2g35 h ASP 93 Cb 0.37 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2g35 h ASP 93 CO 0.02 0.12 -1.04 0.40 -3.12 0.00 0.00 179.24 175.62 2g35 h ILE 94 N 0.00 0.58 0.03 0.35 2.04 -1.23 -3.13 117.51 116.14 2g35 h ILE 94 Ca -0.02 -1.97 -0.26 0.00 1.00 0.00 0.00 64.86 63.62 2g35 h ILE 94 Cb 1.10 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2g35 h ILE 94 CO 0.01 0.33 -1.33 0.16 0.00 0.00 0.00 178.15 177.32 2g35 h ILE 95 N 0.00 1.33 0.00 -0.67 3.07 -1.49 -3.20 117.51 116.55 2g35 h ILE 95 Ca -0.09 -3.07 -0.17 0.00 1.55 0.00 0.00 64.86 63.08 2g35 h ILE 95 Cb 1.45 2.70 -0.02 0.00 -0.27 0.00 0.00 36.82 40.68 2g35 h ILE 95 CO 0.05 0.79 -0.81 -0.07 -1.05 0.00 0.00 178.15 177.06 2g35 h LEU 96 N 0.02 0.01 -0.18 0.16 3.38 -1.65 -3.17 115.31 113.87 2g35 h LEU 96 Ca -0.14 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.63 2g35 h LEU 96 Cb 1.90 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2g35 h LEU 96 CO 0.12 0.82 -0.89 0.07 0.09 0.00 0.00 178.44 178.65 2g35 h LYS 97 N 0.00 0.00 0.20 1.13 5.09 -1.64 0.20 116.57 121.55 2g35 h LYS 97 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 2g35 h LYS 97 Cb 1.44 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.77 2g35 h LYS 97 CO 0.11 0.89 -0.10 0.87 -2.09 0.00 0.00 179.45 179.13 2g35 h LYS 98 N 0.00 -0.26 0.00 0.07 1.57 -1.57 -3.15 116.57 113.23 2g35 h LYS 98 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2g35 h LYS 98 Cb 1.60 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2g35 h LYS 98 CO 0.12 0.10 -0.30 0.36 -0.57 0.00 0.00 179.45 179.15 2g35 n LYS 99 N -5.04 0.18 -0.19 3.15 2.85 -1.20 -5.14 118.16 112.77 2g35 n LYS 99 Ca -0.09 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2g35 n LYS 99 Cb 0.25 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.97 2g35 n LYS 99 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52