#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s h SER 2 N 0.00 0.00 -5.25 2.55 4.64 -2.05 -3.47 113.55 109.97 3g4s h SER 2 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3g4s h SER 2 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 3g4s h SER 2 CO 0.00 0.88 -0.68 -0.94 -0.87 0.00 0.00 176.83 175.22 3g4s s SER 3 N -6.37 0.48 -0.18 4.97 1.04 -1.26 -5.08 113.70 107.31 3g4s s SER 3 Ca -0.01 -1.02 0.17 0.00 0.48 0.00 0.00 55.95 55.57 3g4s s SER 3 Cb 0.09 0.21 0.46 0.00 0.10 0.00 0.00 66.02 66.88 3g4s s SER 3 CO 0.81 -0.61 1.35 -3.20 0.98 0.00 0.00 173.24 172.57 3g4s n ASN 4 N 0.09 3.30 -4.73 7.02 2.85 -1.26 -4.97 115.26 117.56 3g4s n ASN 4 Ca -0.13 -3.12 -0.29 0.00 -0.11 0.00 0.00 54.58 50.93 3g4s n ASN 4 Cb 0.61 -0.52 0.15 0.00 1.24 0.00 0.00 39.78 41.26 3g4s n ASN 4 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3g4s s GLY 5 N -2.28 1.59 0.23 8.20 0.00 -1.26 -4.98 107.32 108.81 3g4s s GLY 5 Ca 0.40 -0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.74 3g4s s GLY 5 CO 0.06 0.23 1.77 -2.55 0.00 0.00 0.00 173.10 172.61 3g4s h PRO 6 N -1.61 1.10 -1.16 2.90 0.11 -2.04 -3.18 132.00 128.12 3g4s h PRO 6 Ca -0.51 -0.23 -0.44 0.00 0.11 0.00 0.00 66.00 64.93 3g4s h PRO 6 Cb 1.31 -0.16 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 3g4s h PRO 6 CO 0.58 0.93 0.56 1.28 -0.21 0.00 0.00 178.00 181.14 3g4s n LEU 7 N -4.26 6.45 -4.68 2.35 4.77 -1.26 -4.60 117.00 115.77 3g4s n LEU 7 Ca 0.06 -3.43 -0.40 0.00 -0.03 0.00 0.00 56.01 52.21 3g4s n LEU 7 Cb 0.22 -0.90 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 3g4s n LEU 7 CO 0.41 1.14 0.43 -0.70 -1.33 0.00 0.00 177.39 177.35 3g4s s GLU 8 N -2.58 4.31 -1.23 3.23 -6.30 -1.20 -3.84 118.70 111.10 3g4s s GLU 8 Ca 0.44 0.79 -0.07 0.00 -2.50 0.00 0.00 54.97 53.63 3g4s s GLU 8 Cb 0.36 -3.53 0.01 0.00 0.00 0.00 0.00 34.13 30.97 3g4s s GLU 8 CO 0.03 -0.14 0.88 0.41 0.02 0.00 0.00 175.26 176.46 3g4s n GLY 9 N 3.46 -0.35 2.18 -1.50 0.00 -1.26 -4.94 105.19 102.78 3g4s n GLY 9 Ca -0.00 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 3g4s n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g4s n THR 10 N -4.58 2.27 -0.03 2.61 -2.24 -1.25 -4.79 114.28 106.28 3g4s n THR 10 Ca -0.02 -3.95 -0.14 0.00 -2.27 0.00 0.00 64.05 57.66 3g4s n THR 10 Cb 0.57 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 68.05 3g4s n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3g4s h ARG 11 N 2.26 0.13 -0.29 -0.78 2.43 -1.90 -3.08 114.38 113.16 3g4s h ARG 11 Ca 0.26 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3g4s h ARG 11 Cb 1.48 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.05 3g4s h ARG 11 CO 0.64 0.79 -0.08 0.78 -1.51 0.00 0.00 179.97 180.58 3g4s h GLY 12 N -0.49 0.62 2.00 2.80 0.00 -1.92 -3.29 103.07 102.79 3g4s h GLY 12 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 3g4s h GLY 12 CO 0.03 0.47 -0.44 0.07 0.00 0.00 0.00 176.54 176.67 3g4s h LYS 13 N 0.33 0.00 -2.20 4.80 2.10 -1.91 -3.35 116.57 116.34 3g4s h LYS 13 Ca 0.07 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 58.04 3g4s h LYS 13 Cb 0.57 0.00 -0.35 0.00 -0.90 0.00 0.00 32.23 31.55 3g4s h LYS 13 CO 0.03 0.44 0.09 1.28 -2.00 0.00 0.00 179.45 179.29 3g4s n LEU 14 N -3.23 5.78 -3.64 7.07 4.77 -1.16 -4.90 117.00 121.69 3g4s n LEU 14 Ca 0.02 -5.49 -0.06 0.00 -0.03 0.00 0.00 56.01 50.45 3g4s n LEU 14 Cb 0.70 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 3g4s n LEU 14 CO 0.39 2.20 0.78 -0.75 -1.33 0.00 0.00 177.39 178.68 3g4s s LYS 15 N -3.85 0.40 0.38 3.23 2.20 -1.25 -4.88 119.74 115.97 3g4s s LYS 15 Ca 0.45 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.61 3g4s s LYS 15 Cb 0.26 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 3g4s s LYS 15 CO -0.16 -0.06 0.58 -0.80 -0.36 0.00 0.00 175.35 174.55 3g4s s ASN 16 N 0.60 6.12 0.22 1.43 0.02 -1.26 -4.95 114.94 117.12 3g4s s ASN 16 Ca -0.01 0.34 -0.30 0.00 -1.02 0.00 0.00 52.86 51.88 3g4s s ASN 16 Cb -0.04 -1.81 -0.08 0.00 0.02 0.00 0.00 41.25 39.34 3g4s s ASN 16 CO -0.10 -0.43 1.04 -0.54 0.02 0.00 0.00 177.10 177.09 3g4s s LYS 17 N -4.38 4.69 0.29 -0.60 3.01 -1.26 -4.91 119.74 116.58 3g4s s LYS 17 Ca 0.43 1.65 0.25 0.00 -1.01 0.00 0.00 55.97 57.29 3g4s s LYS 17 Cb -0.10 -3.26 0.94 0.00 -1.01 0.00 0.00 37.83 34.40 3g4s s LYS 17 CO 0.36 0.25 0.90 -2.30 0.51 0.00 0.00 175.35 175.07 3g4s n PRO 18 N 1.85 -0.01 0.13 -1.68 -0.02 -1.26 0.04 135.00 134.05 3g4s n PRO 18 Ca 0.00 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3g4s n PRO 18 Cb 0.46 -1.43 0.06 0.00 -0.02 0.00 0.00 33.50 32.57 3g4s n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g4s h ARG 19 N 0.00 0.00 -0.80 -0.52 3.08 -2.05 -3.21 114.38 110.88 3g4s h ARG 19 Ca 0.53 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.39 3g4s h ARG 19 Cb 1.95 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.89 3g4s h ARG 19 CO -0.12 0.62 0.24 -0.25 -1.07 0.00 0.00 179.97 179.39 3g4s n ASP 20 N -3.36 4.43 -2.82 7.04 8.00 0.11 -4.96 116.55 124.99 3g4s n ASP 20 Ca 0.01 -3.04 -0.12 0.00 0.71 0.00 0.00 54.79 52.35 3g4s n ASP 20 Cb 0.74 -0.71 0.09 0.00 -0.02 0.00 0.00 41.12 41.21 3g4s n ASP 20 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3g4s n ARG 21 N -0.08 -0.81 0.00 -1.24 0.63 -1.21 -4.82 116.66 109.13 3g4s n ARG 21 Ca 0.35 -0.84 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 3g4s n ARG 21 Cb 1.25 -0.60 0.00 0.00 0.45 0.00 0.00 32.46 33.56 3g4s n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3g4s n GLY 22 N 0.99 -0.49 3.79 5.14 0.00 -1.26 -4.83 105.19 108.52 3g4s n GLY 22 Ca 0.07 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3g4s n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 23 N 0.00 4.35 0.34 2.61 2.01 -1.26 -4.73 115.64 118.96 3g4s s THR 23 Ca 0.00 1.63 -0.11 0.00 0.31 0.00 0.00 61.69 63.52 3g4s s THR 23 Cb 0.00 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 3g4s s THR 23 CO 0.00 0.25 0.69 -0.44 -0.69 0.00 0.00 174.62 174.43 3g4s s SER 24 N -1.53 6.59 0.17 3.53 0.01 -1.26 -5.05 113.70 116.15 3g4s s SER 24 Ca 0.45 1.07 -0.32 0.00 1.31 0.00 0.00 55.95 58.46 3g4s s SER 24 Cb -0.19 -2.29 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 3g4s s SER 24 CO 0.24 -0.26 1.60 -2.84 0.41 0.00 0.00 173.24 172.38 3g4s s PRO 25 N -3.41 4.20 0.41 12.44 0.02 -1.26 -4.94 135.00 142.46 3g4s s PRO 25 Ca 0.50 2.40 0.29 0.00 0.02 0.00 0.00 61.00 64.21 3g4s s PRO 25 Cb -0.10 -3.18 1.38 0.00 0.02 0.00 0.00 34.50 32.62 3g4s s PRO 25 CO 0.26 -0.64 1.87 -1.35 -0.33 0.00 0.00 177.00 176.81 3g4s h PRO 26 N 6.92 0.00 -0.29 5.54 0.11 -1.98 -3.27 132.00 139.02 3g4s h PRO 26 Ca -0.43 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.72 3g4s h PRO 26 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3g4s h PRO 26 CO 0.92 0.00 0.08 0.37 -0.21 0.00 0.00 178.00 179.17 3g4s h GLN 27 N 0.00 0.20 0.00 1.05 5.75 -1.98 -2.30 115.11 117.83 3g4s h GLN 27 Ca 0.00 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.36 3g4s h GLN 27 Cb 0.23 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 3g4s h GLN 27 CO 0.00 0.13 -0.60 0.07 -2.65 0.00 0.00 178.83 175.78 3g4s h ARG 28 N 0.20 0.00 0.00 1.69 0.11 -1.95 -2.99 114.38 111.45 3g4s h ARG 28 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 3g4s h ARG 28 Cb 0.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.20 3g4s h ARG 28 CO -0.15 0.60 0.00 0.00 0.10 0.00 0.00 179.97 180.52 3g4s h ALA 29 N 1.40 1.00 -0.12 0.08 0.00 -1.61 -2.96 119.26 117.06 3g4s h ALA 29 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3g4s h ALA 29 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3g4s h ALA 29 CO 0.08 0.00 0.00 0.28 0.00 0.00 0.00 179.25 179.61 3g4s n VAL 30 N -2.44 0.77 -1.72 0.00 0.31 -0.89 -4.33 118.33 110.02 3g4s n VAL 30 Ca 0.03 -0.88 -0.43 0.00 -0.01 0.00 0.00 64.34 63.05 3g4s n VAL 30 Cb 0.33 0.64 -0.02 0.00 -0.91 0.00 0.00 33.84 33.88 3g4s n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3g4s n GLU 31 N 0.02 2.41 -3.68 5.55 4.07 -1.12 -4.99 120.64 122.91 3g4s n GLU 31 Ca 0.05 0.86 -0.37 0.00 -0.06 0.00 0.00 57.16 57.63 3g4s n GLU 31 Cb 0.28 -2.56 -0.12 0.00 -0.06 0.00 0.00 31.44 28.98 3g4s n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3g4s s GLU 32 N -0.92 3.76 0.20 5.31 0.41 -1.26 -4.84 118.70 121.37 3g4s s GLU 32 Ca 0.62 -0.42 0.07 0.00 -0.41 0.00 0.00 54.97 54.83 3g4s s GLU 32 Cb -0.55 -3.47 -0.04 0.00 -1.78 0.00 0.00 34.13 28.29 3g4s s GLU 32 CO 0.53 -0.19 0.08 -0.06 -0.49 0.00 0.00 175.26 175.13 3g4s s PHE 33 N 1.67 2.97 0.51 1.61 0.40 -1.26 -5.14 117.98 118.74 3g4s s PHE 33 Ca 0.07 -0.11 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 3g4s s PHE 33 Cb -0.16 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.02 3g4s s PHE 33 CO 0.07 0.53 0.59 -0.51 0.70 0.00 0.00 175.22 176.60 3g4s s ASP 34 N -3.28 5.10 0.17 1.36 1.01 -1.26 -5.08 116.67 114.69 3g4s s ASP 34 Ca 0.30 -0.83 -0.30 0.00 0.71 0.00 0.00 52.55 52.43 3g4s s ASP 34 Cb -0.09 -0.03 -0.07 0.00 1.01 0.00 0.00 42.92 43.74 3g4s s ASP 34 CO 0.22 -1.05 0.98 -1.81 0.21 0.00 0.00 175.17 173.72 3g4s s ASP 35 N -4.42 7.51 0.00 0.27 1.11 -1.26 -3.38 116.67 116.50 3g4s s ASP 35 Ca 0.52 1.90 0.00 0.00 0.18 0.00 0.00 52.55 55.15 3g4s s ASP 35 Cb -0.05 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.34 3g4s s ASP 35 CO 0.32 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.26 3g4s n GLY 36 N 1.95 0.92 3.78 0.21 0.00 0.19 -4.99 105.19 107.25 3g4s n GLY 36 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3g4s n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 37 N -0.69 3.94 -0.10 1.61 2.02 -1.22 -4.65 118.70 119.61 3g4s s GLU 37 Ca 0.00 1.59 -0.16 0.00 0.02 0.00 0.00 54.97 56.42 3g4s s GLU 37 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 3g4s s GLU 37 CO 0.00 -0.36 0.40 0.15 0.02 0.00 0.00 175.26 175.47 3g4s s LYS 38 N -2.70 4.19 0.16 1.61 -0.14 -1.26 -0.57 119.74 121.04 3g4s s LYS 38 Ca 0.62 0.32 0.05 0.00 -1.36 0.00 0.00 55.97 55.60 3g4s s LYS 38 Cb -0.24 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.49 3g4s s LYS 38 CO 0.29 0.33 -0.11 0.14 -0.76 0.00 0.00 175.35 175.24 3g4s s VAL 39 N 0.12 1.29 -0.13 3.17 -7.23 -1.14 -2.63 120.40 113.85 3g4s s VAL 39 Ca 0.22 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.28 3g4s s VAL 39 Cb -0.15 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 3g4s s VAL 39 CO 0.09 -0.70 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.10 3g4s s HIS 40 N -3.25 2.92 -0.49 2.82 3.76 0.13 -1.45 115.29 119.72 3g4s s HIS 40 Ca 0.18 -0.38 -0.18 0.00 -0.15 0.00 0.00 55.06 54.54 3g4s s HIS 40 Cb 0.02 -1.87 0.06 0.00 1.11 0.00 0.00 32.58 31.90 3g4s s HIS 40 CO 0.02 -0.05 0.55 -0.51 -0.85 0.00 0.00 174.74 173.90 3g4s s LEU 41 N 0.17 5.14 -0.03 0.89 1.02 0.15 -1.79 118.68 124.22 3g4s s LEU 41 Ca -0.04 -1.01 -0.01 0.00 0.02 0.00 0.00 54.13 53.09 3g4s s LEU 41 Cb -0.14 -2.37 0.03 0.00 0.02 0.00 0.00 46.19 43.73 3g4s s LEU 41 CO 0.04 -0.80 0.04 -0.75 0.02 0.00 0.00 176.35 174.90 3g4s s LYS 42 N 2.31 -0.03 0.11 1.70 2.47 -1.10 0.28 119.74 125.48 3g4s s LYS 42 Ca 0.12 0.27 -0.30 0.00 -1.56 0.00 0.00 55.97 54.50 3g4s s LYS 42 Cb -0.20 -0.39 -0.06 0.00 -1.46 0.00 0.00 37.83 35.71 3g4s s LYS 42 CO 0.11 -0.24 1.00 0.42 0.16 0.00 0.00 175.35 176.79 3g4s s ILE 43 N 1.59 4.39 -0.33 5.43 1.01 -1.26 -4.22 121.20 127.81 3g4s s ILE 43 Ca -0.02 1.96 -0.19 0.00 0.00 0.00 0.00 60.65 62.39 3g4s s ILE 43 Cb -0.13 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.09 3g4s s ILE 43 CO -0.03 0.29 0.55 -0.62 0.00 0.00 0.00 174.94 175.13 3g4s s ASP 44 N 0.12 6.38 0.57 3.58 -1.08 -1.26 -4.96 116.67 120.01 3g4s s ASP 44 Ca 0.48 0.16 0.29 0.00 -0.52 0.00 0.00 52.55 52.96 3g4s s ASP 44 Cb -0.25 -2.29 1.74 0.00 -1.46 0.00 0.00 42.92 40.66 3g4s s ASP 44 CO 0.31 -0.47 2.21 -0.65 0.52 0.00 0.00 175.17 177.09 3g4s h PRO 45 N 8.35 0.00 -0.16 4.34 0.11 -1.92 -2.82 132.00 139.91 3g4s h PRO 45 Ca -0.28 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.66 3g4s h PRO 45 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 3g4s h PRO 45 CO 0.78 0.03 -0.57 0.77 -0.21 0.00 0.00 178.00 178.80 3g4s h SER 46 N 0.00 0.77 -3.34 -2.05 0.02 -1.93 -3.43 113.55 103.60 3g4s h SER 46 Ca -0.00 -0.61 -0.58 0.00 -0.84 0.00 0.00 61.79 59.76 3g4s h SER 46 Cb 0.09 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.34 3g4s h SER 46 CO 0.00 1.25 0.28 -0.69 -1.14 0.00 0.00 176.83 176.54 3g4s s VAL 47 N -3.82 4.94 -0.23 2.27 1.01 -1.06 -4.94 120.40 118.58 3g4s s VAL 47 Ca -0.12 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.19 3g4s s VAL 47 Cb 0.07 -4.08 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3g4s s VAL 47 CO 0.86 0.09 0.02 -2.65 0.00 0.00 0.00 175.10 173.41 3g4s n PRO 48 N 4.92 0.57 -2.71 2.72 -0.02 -1.26 -4.65 135.00 134.56 3g4s n PRO 48 Ca 0.02 0.48 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3g4s n PRO 48 Cb 0.49 -1.66 -0.06 0.00 -0.02 0.00 0.00 33.50 32.25 3g4s n PRO 48 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3g4s s ASN 49 N -6.99 7.18 0.00 2.55 0.01 -1.26 -4.16 114.94 112.27 3g4s s ASN 49 Ca -0.31 1.90 0.00 0.00 -0.71 0.00 0.00 52.86 53.73 3g4s s ASN 49 Cb 0.08 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.16 3g4s s ASN 49 CO 0.54 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.56 3g4s n GLY 50 N 0.48 0.82 3.98 0.66 0.00 -1.26 -4.91 105.19 104.96 3g4s n GLY 50 Ca 0.03 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 3g4s n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s s ARG 51 N -3.18 1.20 0.01 1.61 0.52 -1.26 -2.04 118.95 115.81 3g4s s ARG 51 Ca 0.00 -1.01 0.00 0.00 -0.52 0.00 0.00 55.73 54.20 3g4s s ARG 51 Cb 0.00 -2.18 -0.00 0.00 0.52 0.00 0.00 34.95 33.29 3g4s s ARG 51 CO 0.00 -1.85 0.00 1.97 0.02 0.00 0.00 175.30 175.44 3g4s n PHE 52 N -3.17 0.01 -2.78 -0.53 1.16 -1.26 -4.70 117.46 106.18 3g4s n PHE 52 Ca 0.16 -0.05 -0.42 0.00 -1.87 0.00 0.00 57.45 55.27 3g4s n PHE 52 Cb 0.60 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 3g4s n PHE 52 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 3g4s s HIS 53 N -1.48 3.58 0.65 2.97 5.65 -1.26 -4.92 115.29 120.49 3g4s s HIS 53 Ca 0.00 1.55 0.18 0.00 0.25 0.00 0.00 55.06 57.05 3g4s s HIS 53 Cb 0.00 -3.08 0.96 0.00 -1.18 0.00 0.00 32.58 29.29 3g4s s HIS 53 CO 0.00 -0.08 1.54 -1.35 -0.65 0.00 0.00 174.74 174.20 3g4s h PRO 54 N 6.93 0.00 0.00 2.88 0.11 -2.00 0.13 132.00 140.05 3g4s h PRO 54 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3g4s h PRO 54 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g4s h PRO 54 CO 0.79 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.45 3g4s n ARG 55 N -2.83 0.14 -0.10 1.05 0.63 -1.26 -2.62 116.66 111.67 3g4s n ARG 55 Ca 0.01 0.39 0.11 0.00 -0.92 0.00 0.00 57.85 57.44 3g4s n ARG 55 Cb 0.70 -1.77 0.16 0.00 0.45 0.00 0.00 32.46 32.00 3g4s n ARG 55 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3g4s n PHE 56 N -2.03 0.27 -1.75 -0.14 3.72 0.03 -4.96 117.46 112.60 3g4s n PHE 56 Ca 0.02 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.86 3g4s n PHE 56 Cb 0.20 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3g4s n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3g4s s ASP 57 N -1.61 6.43 0.00 4.37 1.11 -1.08 -2.34 116.67 123.55 3g4s s ASP 57 Ca 0.32 2.49 0.00 0.00 0.18 0.00 0.00 52.55 55.54 3g4s s ASP 57 Cb 0.20 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.66 3g4s s ASP 57 CO 0.29 -1.10 0.00 0.61 1.18 0.00 0.00 175.17 176.16 3g4s n GLY 58 N 4.54 0.74 3.82 0.21 0.00 0.14 -5.02 105.19 109.62 3g4s n GLY 58 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3g4s n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g4s s GLN 59 N -0.64 3.97 -0.31 1.61 -1.52 -0.99 -4.83 119.66 116.94 3g4s s GLN 59 Ca 0.00 1.14 0.03 0.00 -1.95 0.00 0.00 55.36 54.58 3g4s s GLN 59 Cb 0.00 -2.13 0.09 0.00 -0.22 0.00 0.00 33.01 30.74 3g4s s GLN 59 CO 0.00 -0.26 0.01 0.99 -0.25 0.00 0.00 175.29 175.78 3g4s s THR 60 N -2.27 2.08 0.00 -0.19 2.01 -1.26 -0.68 115.64 115.33 3g4s s THR 60 Ca 0.63 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.60 3g4s s THR 60 Cb -0.12 -2.44 0.00 0.00 0.01 0.00 0.00 72.50 69.95 3g4s s THR 60 CO 0.22 -0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 3g4s n GLY 61 N 4.37 1.84 2.76 4.40 0.00 -0.53 -4.92 105.19 113.12 3g4s n GLY 61 Ca -0.02 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 3g4s n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s THR 62 N 1.39 0.15 0.07 2.61 2.01 -1.06 -2.90 115.64 117.92 3g4s s THR 62 Ca 0.00 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 3g4s s THR 62 Cb 0.00 -0.31 -0.06 0.00 0.01 0.00 0.00 72.50 72.14 3g4s s THR 62 CO 0.00 0.19 1.29 -0.69 -0.69 0.00 0.00 174.62 174.71 3g4s s VAL 63 N 1.63 3.74 -0.15 3.82 1.01 0.26 -0.77 120.40 129.94 3g4s s VAL 63 Ca -0.01 1.24 0.15 0.00 0.00 0.00 0.00 61.98 63.35 3g4s s VAL 63 Cb -0.13 -3.79 0.34 0.00 0.00 0.00 0.00 36.38 32.80 3g4s s VAL 63 CO -0.03 0.09 1.17 -0.62 0.00 0.00 0.00 175.10 175.71 3g4s n GLU 64 N 4.06 1.27 0.00 2.72 -0.58 -0.49 0.57 120.64 128.19 3g4s n GLU 64 Ca 0.10 -2.79 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 3g4s n GLU 64 Cb 0.45 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 3g4s n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g4s n GLY 65 N -1.10 1.98 3.37 0.62 0.00 -1.25 -4.97 105.19 103.84 3g4s n GLY 65 Ca 0.16 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 3g4s n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g4s s LYS 66 N -1.60 1.39 -0.63 1.61 -2.85 -1.26 -1.14 119.74 115.27 3g4s s LYS 66 Ca 0.00 -1.61 0.05 0.00 -1.00 0.00 0.00 55.97 53.40 3g4s s LYS 66 Cb 0.00 -1.24 0.16 0.00 -2.06 0.00 0.00 37.83 34.68 3g4s s LYS 66 CO 0.00 0.21 0.41 -1.14 0.10 0.00 0.00 175.35 174.93 3g4s s GLN 67 N -3.58 2.20 1.74 1.78 0.74 -0.37 -4.90 119.66 117.27 3g4s s GLN 67 Ca 0.23 -3.02 0.00 0.00 0.05 0.00 0.00 55.36 52.62 3g4s s GLN 67 Cb -0.02 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.84 3g4s s GLN 67 CO 0.08 -1.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.00 3g4s n GLY 68 N 2.41 1.57 0.00 2.59 0.00 -1.26 -3.08 105.19 107.42 3g4s n GLY 68 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3g4s n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4s n ASP 69 N 4.46 3.25 -4.89 1.61 8.00 -1.26 -5.05 116.55 122.67 3g4s n ASP 69 Ca 0.00 -0.09 -0.29 0.00 0.71 0.00 0.00 54.79 55.12 3g4s n ASP 69 Cb 0.00 0.82 0.01 0.00 -0.02 0.00 0.00 41.12 41.94 3g4s n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g4s s ALA 70 N -1.47 3.18 0.09 2.24 0.00 -1.18 -4.68 121.76 119.95 3g4s s ALA 70 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3g4s s ALA 70 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3g4s s ALA 70 CO 0.00 -0.67 0.08 0.71 0.00 0.00 0.00 175.76 175.89 3g4s s TYR 71 N -3.06 3.17 -0.36 0.00 1.51 0.36 -1.23 117.35 117.74 3g4s s TYR 71 Ca 0.53 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.56 3g4s s TYR 71 Cb -0.11 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.18 3g4s s TYR 71 CO 0.50 0.52 0.16 0.15 -1.11 0.00 0.00 175.55 175.77 3g4s s LYS 72 N -2.49 2.71 -0.13 -0.62 1.02 -0.29 -0.28 119.74 119.67 3g4s s LYS 72 Ca 0.29 -1.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.12 3g4s s LYS 72 Cb -0.12 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 3g4s s LYS 72 CO 0.22 -0.69 -0.05 0.08 -0.92 0.00 0.00 175.35 173.99 3g4s s VAL 73 N 1.48 3.78 -0.35 3.17 1.01 0.15 -1.40 120.40 128.25 3g4s s VAL 73 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 3g4s s VAL 73 Cb -0.19 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 3g4s s VAL 73 CO 0.05 0.53 0.31 -1.81 0.00 0.00 0.00 175.10 174.17 3g4s s ASP 74 N 0.04 6.12 0.43 3.32 1.01 0.05 -0.59 116.67 127.05 3g4s s ASP 74 Ca -0.01 -0.38 0.06 0.00 0.71 0.00 0.00 52.55 52.93 3g4s s ASP 74 Cb -0.14 -2.17 -0.06 0.00 1.01 0.00 0.00 42.92 41.56 3g4s s ASP 74 CO 0.03 -0.31 0.02 0.27 0.21 0.00 0.00 175.17 175.39 3g4s s ILE 75 N 1.87 1.86 -0.42 0.77 -4.36 -0.68 -2.55 121.20 117.69 3g4s s ILE 75 Ca 0.09 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.54 3g4s s ILE 75 Cb -0.17 -2.84 0.12 0.00 1.25 0.00 0.00 42.46 40.82 3g4s s ILE 75 CO 0.11 0.00 0.16 -0.69 0.24 0.00 0.00 174.94 174.77 3g4s s VAL 76 N -2.73 2.13 -0.96 8.37 1.01 -1.26 -1.86 120.40 125.09 3g4s s VAL 76 Ca 0.30 -2.66 -0.24 0.00 0.00 0.00 0.00 61.98 59.38 3g4s s VAL 76 Cb 0.08 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3g4s s VAL 76 CO 0.16 -0.73 1.51 -0.62 0.00 0.00 0.00 175.10 175.42 3g4s s ASP 77 N 0.43 6.25 0.00 3.32 -1.08 0.13 -4.55 116.67 121.16 3g4s s ASP 77 Ca 0.14 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 3g4s s ASP 77 Cb -0.22 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 3g4s s ASP 77 CO -0.05 -1.74 0.00 0.61 0.52 0.00 0.00 175.17 174.51 3g4s n GLY 78 N 6.69 2.34 0.00 2.66 0.00 -1.26 -1.98 105.19 113.64 3g4s n GLY 78 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3g4s n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 79 N 0.00 0.70 3.73 -0.02 0.00 -1.26 -5.08 105.19 103.26 3g4s n GLY 79 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3g4s n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3g4s s LYS 80 N 0.00 4.32 0.31 1.61 2.20 -0.84 -5.04 119.74 122.30 3g4s s LYS 80 Ca 0.00 0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 55.83 3g4s s LYS 80 Cb 0.00 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.81 3g4s s LYS 80 CO 0.00 0.21 1.00 -1.21 -0.36 0.00 0.00 175.35 174.99 3g4s s GLU 81 N 0.44 4.58 -0.04 4.03 2.02 -1.26 0.17 118.70 128.65 3g4s s GLU 81 Ca 0.27 1.53 -0.03 0.00 0.02 0.00 0.00 54.97 56.75 3g4s s GLU 81 Cb -0.16 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.12 3g4s s GLU 81 CO 0.12 0.23 0.10 0.15 0.02 0.00 0.00 175.26 175.88 3g4s s LYS 82 N -1.78 0.11 -0.62 1.61 1.02 -0.78 -4.90 119.74 114.40 3g4s s LYS 82 Ca 0.48 0.15 -0.07 0.00 0.02 0.00 0.00 55.97 56.55 3g4s s LYS 82 Cb -0.24 0.04 0.16 0.00 -0.52 0.00 0.00 37.83 37.26 3g4s s LYS 82 CO 0.31 -0.03 0.48 0.99 -0.92 0.00 0.00 175.35 176.18 3g4s s THR 83 N 0.14 4.23 -0.11 2.17 2.01 -1.26 -1.69 115.64 121.13 3g4s s THR 83 Ca -0.01 -2.51 -0.29 0.00 0.31 0.00 0.00 61.69 59.19 3g4s s THR 83 Cb -0.02 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3g4s s THR 83 CO -0.00 -0.88 0.98 -0.63 -0.69 0.00 0.00 174.62 173.40 3g4s s ILE 84 N 0.40 4.80 -0.42 1.82 1.01 0.24 -4.78 121.20 124.28 3g4s s ILE 84 Ca 0.14 1.99 -0.22 0.00 0.00 0.00 0.00 60.65 62.55 3g4s s ILE 84 Cb -0.20 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.00 3g4s s ILE 84 CO -0.04 0.02 0.75 -0.63 0.00 0.00 0.00 174.94 175.04 3g4s s ILE 85 N 1.96 4.72 -0.02 2.92 -1.09 -1.25 -0.67 121.20 127.77 3g4s s ILE 85 Ca 0.47 0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 59.37 3g4s s ILE 85 Cb -0.18 -4.26 0.01 0.00 -1.58 0.00 0.00 42.46 36.45 3g4s s ILE 85 CO 0.18 -0.60 0.04 0.54 -1.23 0.00 0.00 174.94 173.86 3g4s s VAL 86 N 3.12 -0.01 0.51 2.92 0.11 0.62 -4.58 120.40 123.10 3g4s s VAL 86 Ca 0.28 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 3g4s s VAL 86 Cb -0.13 -0.07 -0.06 0.00 -1.53 0.00 0.00 36.38 34.60 3g4s s VAL 86 CO 0.20 0.01 0.91 0.42 -3.33 0.00 0.00 175.10 173.31 3g4s s THR 87 N 0.12 4.72 0.49 5.04 -4.23 -0.87 0.13 115.64 121.05 3g4s s THR 87 Ca -0.01 0.78 0.24 0.00 -1.18 0.00 0.00 61.69 61.52 3g4s s THR 87 Cb -0.01 -3.80 0.42 0.00 1.34 0.00 0.00 72.50 70.45 3g4s s THR 87 CO -0.00 -0.82 1.91 0.00 -0.54 0.00 0.00 174.62 175.16 3g4s h ALA 88 N 0.49 2.48 -0.11 3.99 0.00 -1.83 -1.57 119.26 122.71 3g4s h ALA 88 Ca -0.46 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3g4s h ALA 88 Cb 1.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3g4s h ALA 88 CO 0.62 -0.72 0.09 0.00 0.00 0.00 0.00 179.25 179.25 3g4s h ALA 89 N 1.63 1.90 -0.41 0.00 0.00 -1.75 -0.77 119.26 119.85 3g4s h ALA 89 Ca 0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3g4s h ALA 89 Cb 1.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3g4s h ALA 89 CO -0.07 -0.15 0.03 0.72 0.00 0.00 0.00 179.25 179.78 3g4s n HIS 90 N -4.18 1.44 -4.31 0.00 -0.00 -0.59 -4.56 115.22 103.01 3g4s n HIS 90 Ca -0.00 -0.93 -0.21 0.00 -0.00 0.00 0.00 57.72 56.57 3g4s n HIS 90 Cb 0.20 -0.43 -0.11 0.00 -0.00 0.00 0.00 29.99 29.65 3g4s n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3g4s s LEU 91 N -2.87 2.41 -0.05 2.41 1.43 -0.30 -2.72 118.68 118.99 3g4s s LEU 91 Ca 0.47 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.72 3g4s s LEU 91 Cb 0.38 -0.79 0.03 0.00 0.03 0.00 0.00 46.19 45.85 3g4s s LEU 91 CO 0.11 -0.04 0.12 -0.13 0.23 0.00 0.00 176.35 176.64 3g4s s ARG 92 N -2.64 0.07 0.20 1.70 1.81 -0.74 -4.93 118.95 114.41 3g4s s ARG 92 Ca 0.13 0.31 -0.31 0.00 -1.72 0.00 0.00 55.73 54.14 3g4s s ARG 92 Cb -0.06 -0.16 -0.10 0.00 -0.45 0.00 0.00 34.95 34.18 3g4s s ARG 92 CO 0.06 -0.15 1.51 0.50 -0.68 0.00 0.00 175.30 176.53 3g4s s ARG 93 N 1.02 4.24 0.44 3.54 3.52 -1.26 0.17 118.95 130.62 3g4s s ARG 93 Ca -0.08 2.32 -0.21 0.00 -0.13 0.00 0.00 55.73 57.63 3g4s s ARG 93 Cb -0.10 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 30.04 3g4s s ARG 93 CO -0.05 -0.52 0.97 -1.14 -0.81 0.00 0.00 175.30 173.75 3g4s s GLN 94 N 0.53 4.13 0.00 5.12 0.74 -1.08 -4.85 119.66 124.24 3g4s s GLN 94 Ca 0.65 1.20 0.00 0.00 0.05 0.00 0.00 55.36 57.26 3g4s s GLN 94 Cb -0.43 -2.18 0.00 0.00 1.10 0.00 0.00 33.01 31.50 3g4s s GLN 94 CO 0.36 -0.13 0.00 -1.91 -0.55 0.00 0.00 175.29 173.06