#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpf s GLN 2 N 0.00 0.40 -0.05 0.54 0.74 -1.26 -5.16 119.66 114.86 2hpf s GLN 2 Ca 0.00 0.17 -0.01 0.00 0.05 0.00 0.00 55.36 55.57 2hpf s GLN 2 Cb 0.00 0.19 0.03 0.00 1.10 0.00 0.00 33.01 34.33 2hpf s GLN 2 CO 0.00 -0.11 0.01 -0.06 -0.55 0.00 0.00 175.29 174.58 2hpf s PHE 3 N -0.79 0.50 0.20 1.67 0.40 -1.26 -5.14 117.98 113.56 2hpf s PHE 3 Ca 0.02 -0.07 0.10 0.00 -0.60 0.00 0.00 56.93 56.38 2hpf s PHE 3 Cb -0.02 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 2hpf s PHE 3 CO -0.03 -0.25 -0.10 -1.12 0.70 0.00 0.00 175.22 174.41 2hpf s SER 4 N 1.69 4.15 -0.33 1.36 0.01 -1.26 -5.05 113.70 114.28 2hpf s SER 4 Ca 0.00 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 56.67 2hpf s SER 4 Cb -0.13 -0.65 0.49 0.00 0.21 0.00 0.00 66.02 65.94 2hpf s SER 4 CO -0.04 0.08 1.47 0.18 0.41 0.00 0.00 173.24 175.35 2hpf n LEU 5 N -0.15 4.60 0.06 2.44 4.77 -1.26 -3.89 117.00 123.57 2hpf n LEU 5 Ca -0.10 -4.02 -0.05 0.00 -0.03 0.00 0.00 56.01 51.81 2hpf n LEU 5 Cb 0.56 -0.62 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 2hpf n LEU 5 CO 0.36 1.45 0.05 -0.50 -1.33 0.00 0.00 177.39 177.41 2hpf h TRP 6 N 1.30 0.00 -3.55 -1.77 4.06 -2.07 -3.42 115.95 110.50 2hpf h TRP 6 Ca 0.29 0.00 -0.67 0.00 2.06 0.00 0.00 58.89 60.57 2hpf h TRP 6 Cb 1.55 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.56 2hpf h TRP 6 CO 1.05 0.89 -0.72 0.15 -3.56 0.00 0.00 178.44 176.25 2hpf s LYS 7 N -2.74 2.25 0.40 0.49 -0.14 -1.25 -5.13 119.74 113.62 2hpf s LYS 7 Ca 0.00 -0.95 -0.25 0.00 -1.36 0.00 0.00 55.97 53.41 2hpf s LYS 7 Cb 0.09 -2.37 -0.08 0.00 -1.68 0.00 0.00 37.83 33.79 2hpf s LYS 7 CO 0.81 0.53 1.20 1.03 -0.76 0.00 0.00 175.35 178.16 2hpf s ARG 8 N -2.07 4.03 -1.41 1.68 0.52 -1.26 -4.76 118.95 115.67 2hpf s ARG 8 Ca 0.21 1.91 -0.13 0.00 -0.52 0.00 0.00 55.73 57.20 2hpf s ARG 8 Cb -0.11 -2.69 0.07 0.00 0.52 0.00 0.00 34.95 32.74 2hpf s ARG 8 CO 0.13 -0.36 2.11 -2.30 0.02 0.00 0.00 175.30 174.90 2hpf n PRO 9 N 0.08 3.03 -3.82 3.54 -0.02 -1.26 -4.90 135.00 131.65 2hpf n PRO 9 Ca 0.04 -2.84 -0.31 0.00 -2.02 0.00 0.00 63.50 58.37 2hpf n PRO 9 Cb 0.46 -3.24 -0.04 0.00 -0.02 0.00 0.00 33.50 30.66 2hpf n PRO 9 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hpf s VAL 10 N 2.75 5.30 0.08 -1.45 1.01 -1.25 -0.84 120.40 125.99 2hpf s VAL 10 Ca 0.46 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.96 2hpf s VAL 10 Cb 0.12 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.96 2hpf s VAL 10 CO -0.06 0.10 0.97 0.54 0.00 0.00 0.00 175.10 176.65 2hpf s VAL 11 N -1.57 0.00 -0.11 2.92 0.11 -0.75 -4.97 120.40 116.03 2hpf s VAL 11 Ca 0.37 -0.39 -0.17 0.00 -2.93 0.00 0.00 61.98 58.86 2hpf s VAL 11 Cb -0.13 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 2hpf s VAL 11 CO 0.26 0.00 0.45 -0.89 -3.33 0.00 0.00 175.10 171.59 2hpf s THR 12 N -3.14 5.18 0.31 5.04 2.01 -1.26 0.22 115.64 124.00 2hpf s THR 12 Ca 0.10 0.89 0.04 0.00 0.31 0.00 0.00 61.69 63.03 2hpf s THR 12 Cb -0.01 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 2hpf s THR 12 CO -0.02 0.36 0.06 0.00 -0.69 0.00 0.00 174.62 174.32 2hpf s ALA 13 N 0.43 2.27 -0.12 7.40 0.00 -1.00 -3.99 121.76 126.76 2hpf s ALA 13 Ca 0.25 -2.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.18 2hpf s ALA 13 Cb -0.15 0.68 0.03 0.00 0.00 0.00 0.00 23.12 23.68 2hpf s ALA 13 CO 0.10 -0.32 -0.08 0.71 0.00 0.00 0.00 175.76 176.17 2hpf s TYR 14 N -3.34 1.58 -0.68 0.00 1.51 0.45 -2.35 117.35 114.52 2hpf s TYR 14 Ca 0.36 -0.82 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 2hpf s TYR 14 Cb 0.08 -1.28 0.18 0.00 -0.11 0.00 0.00 41.96 40.83 2hpf s TYR 14 CO 0.15 -0.54 0.52 0.42 -1.11 0.00 0.00 175.55 174.99 2hpf s ILE 15 N 1.68 4.11 -0.90 2.71 1.01 0.25 -2.33 121.20 127.74 2hpf s ILE 15 Ca 0.05 -2.93 -0.06 0.00 0.00 0.00 0.00 60.65 57.71 2hpf s ILE 15 Cb -0.13 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2hpf s ILE 15 CO -0.09 -0.92 0.62 -0.62 0.00 0.00 0.00 174.94 173.94 2hpf n GLU 16 N 3.50 -1.31 0.00 2.79 4.71 -1.18 -2.57 120.64 126.58 2hpf n GLU 16 Ca 0.10 0.66 0.00 0.00 -0.01 0.00 0.00 57.16 57.91 2hpf n GLU 16 Cb 0.39 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 2hpf n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2hpf n GLY 17 N -1.73 2.88 3.59 0.62 0.00 -1.26 -4.98 105.19 104.31 2hpf n GLY 17 Ca -0.27 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 2hpf n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hpf s GLN 18 N 0.00 3.82 0.17 1.61 -0.21 -1.06 -5.00 119.66 118.99 2hpf s GLN 18 Ca 0.00 0.17 -0.22 0.00 0.02 0.00 0.00 55.36 55.32 2hpf s GLN 18 Cb 0.00 -3.75 -0.08 0.00 1.00 0.00 0.00 33.01 30.18 2hpf s GLN 18 CO 0.00 -0.60 0.72 -1.25 -2.12 0.00 0.00 175.29 172.04 2hpf s PRO 19 N 2.57 4.38 -0.14 2.91 0.04 -1.26 0.87 135.00 144.38 2hpf s PRO 19 Ca 0.24 0.98 -0.05 0.00 0.04 0.00 0.00 61.00 62.20 2hpf s PRO 19 Cb -0.15 -3.11 0.07 0.00 0.04 0.00 0.00 34.50 31.35 2hpf s PRO 19 CO 0.13 0.51 0.28 0.14 0.04 0.00 0.00 177.00 178.10 2hpf s VAL 20 N -1.29 -0.45 -0.20 -0.36 -7.23 -0.99 -4.96 120.40 104.92 2hpf s VAL 20 Ca 0.37 0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.51 2hpf s VAL 20 Cb -0.20 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.23 2hpf s VAL 20 CO 0.23 0.10 1.56 -0.70 -0.31 0.00 0.00 175.10 175.98 2hpf s GLU 21 N 2.44 3.89 0.31 4.82 2.12 -1.26 -2.37 118.70 128.66 2hpf s GLU 21 Ca 0.01 1.68 0.10 0.00 0.36 0.00 0.00 54.97 57.12 2hpf s GLU 21 Cb -0.12 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.23 2hpf s GLU 21 CO -0.09 -1.17 -0.05 0.14 -0.54 0.00 0.00 175.26 173.54 2hpf s VAL 22 N 4.84 2.69 -0.17 3.70 -7.23 0.60 -4.52 120.40 120.31 2hpf s VAL 22 Ca 0.69 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.73 2hpf s VAL 22 Cb -0.25 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 2hpf s VAL 22 CO 0.27 -0.28 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.52 2hpf s LEU 23 N -3.65 3.09 -0.53 1.32 2.96 0.18 -1.81 118.68 120.24 2hpf s LEU 23 Ca 0.33 -0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.74 2hpf s LEU 23 Cb -0.02 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.95 2hpf s LEU 23 CO 0.18 0.13 1.12 -0.76 -1.32 0.00 0.00 176.35 175.70 2hpf s LEU 24 N 0.61 3.64 -0.28 -0.68 1.43 -0.02 0.81 118.68 124.19 2hpf s LEU 24 Ca -0.03 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2hpf s LEU 24 Cb -0.15 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.88 2hpf s LEU 24 CO 0.03 -1.33 0.01 -0.62 0.23 0.00 0.00 176.35 174.67 2hpf s ASP 25 N 2.70 4.09 0.00 2.29 2.15 -0.62 -4.72 116.67 122.56 2hpf s ASP 25 Ca 0.43 -1.52 0.11 0.00 0.43 0.00 0.00 52.55 52.00 2hpf s ASP 25 Cb -0.08 -1.19 0.62 0.00 -0.30 0.00 0.00 42.92 41.98 2hpf s ASP 25 CO 0.27 -0.32 1.12 0.35 -0.17 0.00 0.00 175.17 176.43 2hpf n THR 26 N 4.63 0.18 -0.08 1.71 -2.24 -1.26 -2.56 114.28 114.65 2hpf n THR 26 Ca -0.06 0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 2hpf n THR 26 Cb 0.43 -0.87 -0.16 0.00 -2.10 0.00 0.00 70.33 67.63 2hpf n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hpf n GLY 27 N -0.33 -0.99 3.77 3.38 0.00 -1.26 -4.85 105.19 104.89 2hpf n GLY 27 Ca 0.07 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2hpf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpf s ALA 28 N -2.68 3.33 -0.07 4.61 0.00 -1.06 -4.98 121.76 120.91 2hpf s ALA 28 Ca -0.10 1.04 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 2hpf s ALA 28 Cb 0.07 -3.40 -0.29 0.00 0.00 0.00 0.00 23.12 19.51 2hpf s ALA 28 CO 0.84 -0.46 0.60 -0.44 0.00 0.00 0.00 175.76 176.29 2hpf h ASP 29 N 3.19 0.53 -2.85 0.00 3.32 -1.89 -0.97 116.42 117.76 2hpf h ASP 29 Ca -0.48 -0.92 -0.50 0.00 0.02 0.00 0.00 57.03 55.14 2hpf h ASP 29 Cb 1.23 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.46 2hpf h ASP 29 CO 0.65 1.76 -0.68 -1.81 -1.72 0.00 0.00 179.24 177.43 2hpf s ASP 30 N -7.20 2.85 -0.37 6.45 1.11 -1.26 -2.34 116.67 115.91 2hpf s ASP 30 Ca -0.18 -1.17 -0.09 0.00 0.18 0.00 0.00 52.55 51.29 2hpf s ASP 30 Cb 0.05 -0.18 0.05 0.00 1.07 0.00 0.00 42.92 43.91 2hpf s ASP 30 CO 0.82 -0.30 0.18 -0.44 1.18 0.00 0.00 175.17 176.61 2hpf s SER 31 N -3.45 5.54 -0.16 0.27 0.01 -1.26 -2.15 113.70 112.50 2hpf s SER 31 Ca 0.29 -1.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.30 2hpf s SER 31 Cb 0.03 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 2hpf s SER 31 CO 0.12 -0.41 -0.04 -0.63 0.41 0.00 0.00 173.24 172.69 2hpf s ILE 32 N 1.45 3.89 0.13 1.44 1.01 -0.13 0.17 121.20 129.16 2hpf s ILE 32 Ca 0.01 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2hpf s ILE 32 Cb -0.20 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 2hpf s ILE 32 CO 0.04 0.49 -0.03 0.68 0.00 0.00 0.00 174.94 176.11 2hpf s VAL 33 N 0.41 0.68 -0.04 2.92 -7.23 -0.74 -1.36 120.40 115.04 2hpf s VAL 33 Ca -0.04 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2hpf s VAL 33 Cb -0.14 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.92 2hpf s VAL 33 CO 0.03 -0.69 -0.10 0.00 -0.31 0.00 0.00 175.10 174.03 2hpf s ALA 34 N -3.65 0.99 0.00 1.32 0.00 -1.26 -1.09 121.76 118.08 2hpf s ALA 34 Ca 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2hpf s ALA 34 Cb 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2hpf s ALA 34 CO -0.01 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.29 2hpf n GLY 35 N 3.51 1.01 2.95 0.00 0.00 -1.26 -5.02 105.19 106.39 2hpf n GLY 35 Ca -0.20 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 2hpf n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hpf s ILE 36 N -2.00 1.68 -0.63 -0.61 -4.36 -1.26 -5.08 121.20 108.94 2hpf s ILE 36 Ca 0.00 -1.46 -0.28 0.00 -0.26 0.00 0.00 60.65 58.65 2hpf s ILE 36 Cb 0.00 -1.99 0.03 0.00 1.25 0.00 0.00 42.46 41.75 2hpf s ILE 36 CO 0.00 -0.21 1.24 -0.70 0.24 0.00 0.00 174.94 175.51 2hpf s GLU 37 N 1.30 3.40 0.00 0.37 2.12 -1.26 -4.81 118.70 119.81 2hpf s GLU 37 Ca -0.03 0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.42 2hpf s GLU 37 Cb -0.19 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.13 2hpf s GLU 37 CO -0.08 -1.85 0.00 1.28 -0.54 0.00 0.00 175.26 174.07 2hpf n LEU 38 N 8.82 0.00 0.00 2.70 4.77 -1.26 -5.11 117.00 126.92 2hpf n LEU 38 Ca 0.07 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.01 2hpf n LEU 38 Cb 0.49 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2hpf n LEU 38 CO 0.71 -0.48 0.23 0.61 -1.33 0.00 0.00 177.39 177.13 2hpf n GLY 39 N 1.59 1.64 0.60 -0.72 0.00 -1.26 -5.00 105.19 102.04 2hpf n GLY 39 Ca 0.00 -1.17 0.06 0.00 0.00 0.00 0.00 46.02 44.92 2hpf n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hpf n ASN 40 N -1.32 1.66 -3.81 1.61 2.85 -1.26 -4.83 115.26 110.16 2hpf n ASN 40 Ca -0.04 -3.35 -0.28 0.00 -0.11 0.00 0.00 54.58 50.80 2hpf n ASN 40 Cb 0.28 -0.46 -0.11 0.00 1.24 0.00 0.00 39.78 40.73 2hpf n ASN 40 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2hpf n ASN 41 N -0.91 2.83 -4.13 1.20 2.85 -1.26 -5.10 115.26 110.74 2hpf n ASN 41 Ca 0.15 -3.17 -0.10 0.00 -0.11 0.00 0.00 54.58 51.35 2hpf n ASN 41 Cb 0.74 -0.74 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 2hpf n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2hpf s TYR 42 N -1.46 0.87 -0.14 1.20 1.13 -1.26 -4.79 117.35 112.90 2hpf s TYR 42 Ca 0.27 -1.19 0.01 0.00 -1.41 0.00 0.00 57.07 54.75 2hpf s TYR 42 Cb -0.02 -0.40 0.02 0.00 -1.10 0.00 0.00 41.96 40.46 2hpf s TYR 42 CO -0.16 -0.62 -0.14 -1.12 -2.51 0.00 0.00 175.55 171.00 2hpf s SER 43 N -3.07 2.66 -0.30 -0.18 0.01 -0.02 -4.97 113.70 107.83 2hpf s SER 43 Ca 0.28 -0.48 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 2hpf s SER 43 Cb 0.06 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.07 2hpf s SER 43 CO 0.06 -0.04 2.21 -2.84 0.41 0.00 0.00 173.24 173.03 2hpf s PRO 44 N 1.41 2.92 0.29 12.44 0.02 -1.26 0.12 135.00 150.94 2hpf s PRO 44 Ca 0.03 1.80 0.01 0.00 0.02 0.00 0.00 61.00 62.87 2hpf s PRO 44 Cb -0.13 -4.40 -0.03 0.00 0.02 0.00 0.00 34.50 29.95 2hpf s PRO 44 CO -0.09 -2.35 0.47 0.15 -0.33 0.00 0.00 177.00 174.85 2hpf s LYS 45 N 6.70 3.49 -0.08 5.54 3.01 0.44 -4.86 119.74 133.98 2hpf s LYS 45 Ca 0.97 -0.43 0.05 0.00 -1.01 0.00 0.00 55.97 55.55 2hpf s LYS 45 Cb -0.28 -2.76 -0.00 0.00 -1.01 0.00 0.00 37.83 33.78 2hpf s LYS 45 CO 0.33 0.28 -0.22 -1.50 0.51 0.00 0.00 175.35 174.74 2hpf s ILE 46 N -2.12 1.90 0.02 2.17 2.07 -1.26 0.25 121.20 124.23 2hpf s ILE 46 Ca 0.38 -0.95 0.05 0.00 -1.41 0.00 0.00 60.65 58.72 2hpf s ILE 46 Cb -0.10 -1.64 -0.02 0.00 0.13 0.00 0.00 42.46 40.84 2hpf s ILE 46 CO 0.32 0.53 -0.15 0.68 -1.91 0.00 0.00 174.94 174.41 2hpf s VAL 47 N 0.17 1.20 0.28 4.00 -7.23 -0.46 -4.95 120.40 113.40 2hpf s VAL 47 Ca -0.12 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 2hpf s VAL 47 Cb -0.16 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 2hpf s VAL 47 CO 0.06 0.13 0.12 -0.83 -0.31 0.00 0.00 175.10 174.27 2hpf s GLY 48 N -0.90 1.61 0.00 2.32 0.00 -1.25 -1.31 107.32 107.78 2hpf s GLY 48 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2hpf s GLY 48 CO 0.01 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.11 2hpf n GLY 49 N -1.08 4.98 3.73 0.20 0.00 1.17 -4.93 105.19 109.26 2hpf n GLY 49 Ca -0.06 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 2hpf n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hpf s ILE 50 N 2.09 3.60 0.00 -0.61 -1.09 -1.26 -3.49 121.20 120.44 2hpf s ILE 50 Ca 0.00 1.27 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 2hpf s ILE 50 Cb 0.00 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2hpf s ILE 50 CO 0.00 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 2hpf n GLY 51 N 2.57 2.04 0.00 6.18 0.00 -1.26 -4.82 105.19 109.90 2hpf n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2hpf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpf n GLY 52 N -2.00 0.30 3.10 -0.02 0.00 -1.23 -5.00 105.19 100.34 2hpf n GLY 52 Ca 0.00 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 2hpf n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hpf s PHE 53 N 0.00 1.50 0.30 1.61 0.08 -1.26 0.37 117.98 120.58 2hpf s PHE 53 Ca 0.00 -0.42 0.09 0.00 0.12 0.00 0.00 56.93 56.72 2hpf s PHE 53 Cb 0.00 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.38 2hpf s PHE 53 CO 0.00 -0.15 0.02 0.96 -0.10 0.00 0.00 175.22 175.95 2hpf s ILE 54 N 0.09 3.11 -0.16 0.64 -4.36 -0.43 -4.99 121.20 115.10 2hpf s ILE 54 Ca -0.04 -1.91 -0.05 0.00 -0.26 0.00 0.00 60.65 58.39 2hpf s ILE 54 Cb -0.11 -2.83 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 2hpf s ILE 54 CO 0.02 -0.29 0.01 0.20 0.24 0.00 0.00 174.94 175.12 2hpf s ASN 55 N -3.71 5.24 0.39 4.36 0.02 -1.26 -1.35 114.94 118.62 2hpf s ASN 55 Ca 0.33 -0.01 0.08 0.00 -1.02 0.00 0.00 52.86 52.24 2hpf s ASN 55 Cb -0.04 -1.86 -0.07 0.00 0.02 0.00 0.00 41.25 39.31 2hpf s ASN 55 CO 0.20 0.18 0.03 0.42 0.02 0.00 0.00 177.10 177.96 2hpf s THR 56 N 0.29 2.20 -0.44 1.60 -4.23 0.69 -4.49 115.64 111.25 2hpf s THR 56 Ca 0.00 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.61 2hpf s THR 56 Cb -0.13 -2.92 0.42 0.00 1.34 0.00 0.00 72.50 71.21 2hpf s THR 56 CO 0.02 -0.06 1.09 0.18 -0.54 0.00 0.00 174.62 175.31 2hpf n LEU 57 N -1.00 4.54 -4.12 4.79 4.77 -0.75 0.17 117.00 125.39 2hpf n LEU 57 Ca -0.04 -5.18 -0.55 0.00 -0.03 0.00 0.00 56.01 50.20 2hpf n LEU 57 Cb 0.65 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.24 2hpf n LEU 57 CO 0.47 2.22 0.65 1.21 -1.33 0.00 0.00 177.39 180.61 2hpf n GLU 58 N -0.44 0.00 -5.17 3.23 2.13 0.33 -4.14 120.64 116.57 2hpf n GLU 58 Ca 0.37 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.88 2hpf n GLU 58 Cb 0.65 -1.35 -0.15 0.00 0.27 0.00 0.00 31.44 30.85 2hpf n GLU 58 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2hpf s TYR 59 N 0.71 2.46 -0.02 4.31 2.02 -1.03 -0.84 117.35 124.95 2hpf s TYR 59 Ca 0.85 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 57.23 2hpf s TYR 59 Cb -1.20 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 38.80 2hpf s TYR 59 CO 0.57 0.01 -0.19 0.15 -1.57 0.00 0.00 175.55 174.52 2hpf s LYS 60 N -0.60 1.69 -0.46 -0.62 1.02 -1.26 -1.94 119.74 117.57 2hpf s LYS 60 Ca 0.09 -0.69 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 2hpf s LYS 60 Cb -0.11 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 2hpf s LYS 60 CO -0.00 0.38 0.42 -1.71 -0.92 0.00 0.00 175.35 173.52 2hpf n ASN 61 N 2.75 -4.98 -3.67 2.83 5.15 -1.18 -4.91 115.26 111.25 2hpf n ASN 61 Ca -0.16 -0.15 -0.29 0.00 -0.60 0.00 0.00 54.58 53.37 2hpf n ASN 61 Cb 0.53 -3.28 -0.13 0.00 -0.53 0.00 0.00 39.78 36.37 2hpf n ASN 61 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2hpf s VAL 62 N -3.07 1.04 0.24 3.44 1.01 -0.47 -4.74 120.40 117.84 2hpf s VAL 62 Ca 0.08 -2.12 -0.31 0.00 0.00 0.00 0.00 61.98 59.63 2hpf s VAL 62 Cb -0.01 -1.74 -0.13 0.00 0.00 0.00 0.00 36.38 34.49 2hpf s VAL 62 CO 0.41 -0.86 1.38 -1.84 0.00 0.00 0.00 175.10 174.19 2hpf n GLU 63 N 3.95 1.97 -4.60 2.72 0.28 -1.25 0.11 120.64 123.81 2hpf n GLU 63 Ca 0.07 0.70 -0.22 0.00 -0.16 0.00 0.00 57.16 57.55 2hpf n GLU 63 Cb 0.37 -2.34 -0.15 0.00 1.43 0.00 0.00 31.44 30.75 2hpf n GLU 63 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2hpf s ILE 64 N -0.12 1.07 -0.28 3.84 1.01 0.59 -3.13 121.20 124.18 2hpf s ILE 64 Ca 0.68 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.76 2hpf s ILE 64 Cb -0.66 -0.90 0.07 0.00 0.01 0.00 0.00 42.46 40.98 2hpf s ILE 64 CO 0.50 0.28 -0.08 -0.70 0.00 0.00 0.00 174.94 174.95 2hpf s GLU 65 N -0.37 2.10 0.00 2.79 2.12 -0.98 -0.33 118.70 124.03 2hpf s GLU 65 Ca 0.05 -1.45 0.01 0.00 0.36 0.00 0.00 54.97 53.95 2hpf s GLU 65 Cb -0.05 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 2hpf s GLU 65 CO -0.00 -0.64 -0.05 0.14 -0.54 0.00 0.00 175.26 174.17 2hpf s VAL 66 N 1.07 0.34 -1.63 3.70 -7.23 -0.34 -0.41 120.40 115.90 2hpf s VAL 66 Ca -0.05 -0.32 -0.08 0.00 -1.81 0.00 0.00 61.98 59.72 2hpf s VAL 66 Cb -0.20 -0.32 0.08 0.00 0.56 0.00 0.00 36.38 36.50 2hpf s VAL 66 CO -0.05 0.01 0.32 0.18 -0.31 0.00 0.00 175.10 175.25 2hpf n LEU 67 N 2.74 -1.26 -1.20 1.32 4.77 -1.26 -0.19 117.00 121.92 2hpf n LEU 67 Ca -0.14 -1.19 -0.16 0.00 -0.03 0.00 0.00 56.01 54.49 2hpf n LEU 67 Cb 0.58 -1.77 -0.07 0.00 -2.33 0.00 0.00 43.42 39.83 2hpf n LEU 67 CO 0.25 0.35 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.31 2hpf n ASN 68 N -2.77 -5.14 -4.43 -1.43 5.15 -1.26 -4.97 115.26 100.41 2hpf n ASN 68 Ca -0.17 0.39 -0.32 0.00 -0.60 0.00 0.00 54.58 53.88 2hpf n ASN 68 Cb 0.61 -4.02 -0.14 0.00 -0.53 0.00 0.00 39.78 35.71 2hpf n ASN 68 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2hpf s LYS 69 N -3.29 2.56 -0.11 1.20 2.47 0.73 -5.11 119.74 118.19 2hpf s LYS 69 Ca 0.00 -0.74 0.03 0.00 -1.56 0.00 0.00 55.97 53.71 2hpf s LYS 69 Cb 0.00 -2.35 0.01 0.00 -1.46 0.00 0.00 37.83 34.02 2hpf s LYS 69 CO 0.00 0.55 -0.21 0.21 0.16 0.00 0.00 175.35 176.06 2hpf s LYS 70 N -0.55 2.76 0.09 4.03 2.20 -1.26 -1.19 119.74 125.82 2hpf s LYS 70 Ca 0.08 -0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2hpf s LYS 70 Cb -0.11 -2.17 -0.02 0.00 -1.51 0.00 0.00 37.83 34.02 2hpf s LYS 70 CO 0.01 0.07 0.12 0.14 -0.36 0.00 0.00 175.35 175.33 2hpf s VAL 71 N 0.60 0.15 -0.14 4.02 -7.23 0.55 -4.98 120.40 113.37 2hpf s VAL 71 Ca -0.13 -1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 2hpf s VAL 71 Cb -0.17 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2hpf s VAL 71 CO 0.04 -0.68 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.00 2hpf s ARG 72 N -3.92 3.55 0.21 4.82 0.52 -1.26 0.22 118.95 123.08 2hpf s ARG 72 Ca 0.10 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 2hpf s ARG 72 Cb 0.06 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 32.57 2hpf s ARG 72 CO -0.07 0.35 0.17 0.00 0.02 0.00 0.00 175.30 175.77 2hpf s ALA 73 N 0.07 1.03 -0.24 2.13 0.00 0.12 -4.55 121.76 120.32 2hpf s ALA 73 Ca 0.01 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 2hpf s ALA 73 Cb -0.13 1.36 -0.03 0.00 0.00 0.00 0.00 23.12 24.31 2hpf s ALA 73 CO 0.02 -0.62 0.48 0.99 0.00 0.00 0.00 175.76 176.64 2hpf s THR 74 N -4.14 5.11 0.04 0.00 2.01 -1.26 -1.37 115.64 116.03 2hpf s THR 74 Ca 0.37 0.83 0.02 0.00 0.31 0.00 0.00 61.69 63.22 2hpf s THR 74 Cb 0.06 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2hpf s THR 74 CO 0.12 0.14 -0.07 0.27 -0.69 0.00 0.00 174.62 174.39 2hpf s ILE 75 N 1.98 0.46 0.56 1.82 -4.36 -0.82 -4.25 121.20 116.59 2hpf s ILE 75 Ca 0.21 -1.18 0.02 0.00 -0.26 0.00 0.00 60.65 59.44 2hpf s ILE 75 Cb -0.15 -0.70 0.04 0.00 1.25 0.00 0.00 42.46 42.90 2hpf s ILE 75 CO 0.09 -0.49 0.78 -0.04 0.24 0.00 0.00 174.94 175.53 2hpf s MET 76 N -1.91 2.46 0.07 0.37 -1.94 0.13 -2.46 119.30 116.02 2hpf s MET 76 Ca -0.08 -0.89 0.06 0.00 -1.71 0.00 0.00 55.69 53.07 2hpf s MET 76 Cb -0.08 -2.50 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 2hpf s MET 76 CO -0.01 -0.76 -0.17 0.99 -0.01 0.00 0.00 175.02 175.06 2hpf s THR 77 N -2.76 1.35 -3.78 2.05 2.01 -1.25 -1.80 115.64 111.46 2hpf s THR 77 Ca 0.58 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 61.25 2hpf s THR 77 Cb -0.10 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2hpf s THR 77 CO 0.39 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 2hpf n GLY 78 N 1.35 -1.75 2.29 4.40 0.00 -0.25 -1.81 105.19 109.42 2hpf n GLY 78 Ca -0.20 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.37 2hpf n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hpf n ASP 79 N 2.27 7.09 -4.72 1.61 8.00 -1.26 -3.98 116.55 125.56 2hpf n ASP 79 Ca 0.00 -3.47 -0.42 0.00 0.71 0.00 0.00 54.79 51.61 2hpf n ASP 79 Cb 0.00 -1.06 -0.03 0.00 -0.02 0.00 0.00 41.12 40.01 2hpf n ASP 79 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2hpf s THR 80 N -3.62 2.80 0.05 -3.53 -1.32 -1.26 -4.92 115.64 103.84 2hpf s THR 80 Ca 0.51 0.57 -0.34 0.00 -1.21 0.00 0.00 61.69 61.22 2hpf s THR 80 Cb 0.39 -3.37 -0.19 0.00 -1.51 0.00 0.00 72.50 67.82 2hpf s THR 80 CO -0.10 0.04 1.48 -0.65 -2.21 0.00 0.00 174.62 173.19 2hpf h PRO 81 N 6.80 -1.10 -6.04 7.08 0.11 -1.97 -3.42 132.00 133.46 2hpf h PRO 81 Ca -0.42 0.08 -0.62 0.00 0.11 0.00 0.00 66.00 65.14 2hpf h PRO 81 Cb 1.21 0.25 -0.06 0.00 0.11 0.00 0.00 31.00 32.51 2hpf h PRO 81 CO 0.90 -0.73 -0.54 -1.50 -0.21 0.00 0.00 178.00 175.93 2hpf s ILE 82 N -5.69 5.03 -0.03 4.15 2.07 -1.26 -5.06 121.20 120.41 2hpf s ILE 82 Ca -0.18 -0.59 -0.30 0.00 -1.41 0.00 0.00 60.65 58.17 2hpf s ILE 82 Cb 0.02 -3.46 -0.04 0.00 0.13 0.00 0.00 42.46 39.11 2hpf s ILE 82 CO 0.57 0.10 1.28 0.20 -1.91 0.00 0.00 174.94 175.18 2hpf s ASN 83 N -2.57 6.97 -0.09 4.50 0.01 -1.26 -4.88 114.94 117.61 2hpf s ASN 83 Ca 0.33 1.94 0.03 0.00 -0.71 0.00 0.00 52.86 54.44 2hpf s ASN 83 Cb -0.12 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 2hpf s ASN 83 CO 0.26 -0.64 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.41 2hpf s ILE 84 N 2.25 2.75 -0.74 0.60 1.01 -0.46 0.48 121.20 127.08 2hpf s ILE 84 Ca 0.59 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 2hpf s ILE 84 Cb -0.28 -2.09 0.19 0.00 0.01 0.00 0.00 42.46 40.29 2hpf s ILE 84 CO 0.24 0.56 0.62 -0.36 0.00 0.00 0.00 174.94 175.99 2hpf s PHE 85 N -0.05 3.61 0.86 3.97 0.40 0.24 -0.96 117.98 126.05 2hpf s PHE 85 Ca -0.04 -2.47 -0.09 0.00 -0.60 0.00 0.00 56.93 53.72 2hpf s PHE 85 Cb -0.14 -3.46 0.14 0.00 0.51 0.00 0.00 43.02 40.07 2hpf s PHE 85 CO 0.04 -0.89 0.31 0.41 0.70 0.00 0.00 175.22 175.80 2hpf n GLY 86 N 3.53 -1.43 0.18 4.36 0.00 -0.92 -1.59 105.19 109.32 2hpf n GLY 86 Ca 0.12 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2hpf n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hpf h ARG 87 N 0.00 0.39 -0.70 1.61 3.08 -1.19 -3.03 114.38 114.54 2hpf h ARG 87 Ca -0.14 -0.31 0.08 0.00 0.07 0.00 0.00 59.98 59.67 2hpf h ARG 87 Cb 0.48 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.50 2hpf h ARG 87 CO 0.09 0.95 -0.36 0.27 -1.07 0.00 0.00 179.97 179.84 2hpf n ASN 88 N -3.84 -0.64 -1.10 7.04 6.94 -0.99 0.12 115.26 122.79 2hpf n ASN 88 Ca -0.04 1.23 0.07 0.00 -0.02 0.00 0.00 54.58 55.83 2hpf n ASN 88 Cb 0.70 -0.20 0.24 0.00 -2.36 0.00 0.00 39.78 38.16 2hpf n ASN 88 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2hpf n ILE 89 N -4.93 1.03 0.12 1.53 -5.35 -1.23 -3.68 119.36 106.85 2hpf n ILE 89 Ca 0.03 -0.77 0.06 0.00 -0.27 0.00 0.00 62.75 61.80 2hpf n ILE 89 Cb 0.22 0.16 0.02 0.00 -1.74 0.00 0.00 39.64 38.29 2hpf n ILE 89 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2hpf h LEU 90 N 2.96 0.00 -2.08 7.28 3.38 0.10 -3.31 115.31 123.64 2hpf h LEU 90 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hpf h LEU 90 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2hpf h LEU 90 CO 0.09 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.29 2hpf n THR 91 N -2.99 0.32 -0.08 0.22 -2.24 -0.13 0.19 114.28 109.58 2hpf n THR 91 Ca -0.01 -0.66 -0.23 0.00 -2.27 0.00 0.00 64.05 60.88 2hpf n THR 91 Cb 0.68 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.90 2hpf n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hpf n ALA 92 N 1.13 0.92 0.26 6.98 0.00 -1.25 -3.66 120.51 124.89 2hpf n ALA 92 Ca 0.14 -0.65 0.16 0.00 0.00 0.00 0.00 53.44 53.09 2hpf n ALA 92 Cb 0.50 -0.47 0.54 0.00 0.00 0.00 0.00 19.45 20.03 2hpf n ALA 92 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hpf h LEU 93 N -0.61 0.00 -2.60 0.00 3.38 -1.72 -3.48 115.31 110.28 2hpf h LEU 93 Ca -0.44 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 2hpf h LEU 93 Cb 1.61 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.45 2hpf h LEU 93 CO -0.15 0.01 -0.40 0.61 0.09 0.00 0.00 178.44 178.60 2hpf n GLY 94 N 0.32 -0.68 3.87 0.83 0.00 -1.05 -5.08 105.19 103.41 2hpf n GLY 94 Ca 0.01 0.31 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 2hpf n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hpf s MET 95 N -3.65 3.78 0.09 1.61 -1.94 0.49 -4.95 119.30 114.72 2hpf s MET 95 Ca 0.22 0.69 0.03 0.00 -1.71 0.00 0.00 55.69 54.91 2hpf s MET 95 Cb -0.03 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 2hpf s MET 95 CO 0.52 -0.26 -0.10 -1.54 -0.01 0.00 0.00 175.02 173.63 2hpf s SER 96 N -3.46 1.33 -0.31 3.03 1.04 -1.26 -4.77 113.70 109.30 2hpf s SER 96 Ca 0.55 -0.78 0.02 0.00 0.48 0.00 0.00 55.95 56.22 2hpf s SER 96 Cb -0.10 0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.13 2hpf s SER 96 CO 0.38 -0.26 0.04 -0.22 0.98 0.00 0.00 173.24 174.16 2hpf s LEU 97 N -2.32 3.68 -0.03 2.42 1.98 -1.26 -5.06 118.68 118.09 2hpf s LEU 97 Ca 0.03 -1.84 0.07 0.00 -2.89 0.00 0.00 54.13 49.50 2hpf s LEU 97 Cb -0.04 -1.35 -0.02 0.00 0.66 0.00 0.00 46.19 45.45 2hpf s LEU 97 CO -0.00 -0.36 -0.24 0.20 -1.89 0.00 0.00 176.35 174.06 2hpf s ASN 98 N 1.18 3.24 0.00 3.68 0.01 -1.26 -5.28 114.94 116.51 2hpf s ASN 98 Ca 0.07 -0.43 0.25 0.00 -0.71 0.00 0.00 52.86 52.05 2hpf s ASN 98 Cb -0.19 -0.53 1.50 0.00 0.41 0.00 0.00 41.25 42.45 2hpf s ASN 98 CO -0.13 0.31 1.86 -0.11 -1.51 0.00 0.00 177.10 177.53