#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9s n PHE 12 N 0.00 1.62 0.00 5.58 -0.00 -1.26 -4.87 117.46 118.53 2x9s n PHE 12 Ca 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 57.45 56.05 2x9s n PHE 12 Cb 0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 39.48 38.78 2x9s n PHE 12 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 2x9s n ARG 13 N -0.22 0.00 0.00 3.97 1.85 -1.26 -4.67 116.66 116.33 2x9s n ARG 13 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.17 2x9s n ARG 13 Cb 0.99 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.40 2x9s n ARG 13 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2x9s n VAL 14 N 0.00 0.00 -1.79 8.89 0.31 -1.26 -4.74 118.33 119.74 2x9s n VAL 14 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2x9s n VAL 14 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2x9s n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2x9s n ARG 15 N 0.00 -1.76 0.32 5.55 1.74 -1.26 -4.69 116.66 116.56 2x9s n ARG 15 Ca 0.00 0.45 0.15 0.00 -0.77 0.00 0.00 57.85 57.68 2x9s n ARG 15 Cb 0.00 -4.79 0.80 0.00 -1.02 0.00 0.00 32.46 27.45 2x9s n ARG 15 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 2x9s h ASN 16 N 0.00 0.00 0.16 0.55 7.08 -1.88 0.84 115.58 122.33 2x9s h ASN 16 Ca -0.18 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.04 2x9s h ASN 16 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 2x9s h ASN 16 CO 0.24 0.00 0.00 0.08 -2.08 0.00 0.00 177.43 175.67 2x9s h ARG 17 N 0.00 0.00 0.00 4.14 0.11 -1.90 0.30 114.38 117.02 2x9s h ARG 17 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 2x9s h ARG 17 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 2x9s h ARG 17 CO -0.00 0.00 0.00 0.82 0.10 0.00 0.00 179.97 180.89 2x9s h ILE 18 N 0.00 0.00 0.00 0.08 2.04 0.38 -1.92 117.51 118.09 2x9s h ILE 18 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2x9s h ILE 18 Cb 0.08 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2x9s h ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.32 2x9s n LYS 19 N -2.77 0.60 -2.88 2.37 4.81 0.10 -4.58 118.16 115.81 2x9s n LYS 19 Ca -0.02 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 2x9s n LYS 19 Cb 0.09 -1.20 0.01 0.00 0.02 0.00 0.00 35.03 33.95 2x9s n LYS 19 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2x9s n ARG 20 N 1.50 4.30 -3.62 1.64 5.12 -0.72 -4.95 116.66 119.92 2x9s n ARG 20 Ca 0.00 -4.36 -0.40 0.00 -1.93 0.00 0.00 57.85 51.16 2x9s n ARG 20 Cb 0.30 -2.59 -0.11 0.00 -1.16 0.00 0.00 32.46 28.90 2x9s n ARG 20 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2x9s s THR 21 N -2.15 4.30 0.00 0.55 2.01 -1.26 -4.79 115.64 114.30 2x9s s THR 21 Ca 0.33 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2x9s s THR 21 Cb 0.05 -3.51 0.00 0.00 0.01 0.00 0.00 72.50 69.05 2x9s s THR 21 CO 0.08 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 2x9s n GLY 22 N 4.93 -0.24 0.00 4.40 0.00 -1.26 -5.15 105.19 107.87 2x9s n GLY 22 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2x9s n GLY 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x9s n ARG 23 N 0.00 0.00 -2.38 1.61 0.63 -1.26 -5.11 116.66 110.14 2x9s n ARG 23 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2x9s n ARG 23 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 2x9s n ARG 23 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2x9s n LEU 24 N 0.00 -6.18 -4.64 6.15 7.99 -1.26 -4.26 117.00 114.80 2x9s n LEU 24 Ca 0.00 1.22 -0.38 0.00 -0.01 0.00 0.00 56.01 56.84 2x9s n LEU 24 Cb 0.00 -2.74 -0.09 0.00 -0.11 0.00 0.00 43.42 40.48 2x9s n LEU 24 CO 0.00 -2.54 -0.01 -0.60 -1.51 0.00 0.00 177.39 172.73 2x9s s ARG 25 N -1.11 4.08 -0.69 3.23 3.52 0.13 -0.22 118.95 127.88 2x9s s ARG 25 Ca -0.05 -0.03 -0.18 0.00 -0.13 0.00 0.00 55.73 55.35 2x9s s ARG 25 Cb 0.00 -3.58 0.13 0.00 -1.56 0.00 0.00 34.95 29.94 2x9s s ARG 25 CO 0.59 -0.10 0.78 -1.17 -0.81 0.00 0.00 175.30 174.59 2x9s s LEU 26 N 1.51 5.61 -0.15 -0.88 1.98 0.97 0.83 118.68 128.55 2x9s s LEU 26 Ca 0.13 -1.78 -0.18 0.00 -2.89 0.00 0.00 54.13 49.42 2x9s s LEU 26 Cb -0.15 -2.30 -0.04 0.00 0.66 0.00 0.00 46.19 44.36 2x9s s LEU 26 CO 0.08 -1.00 0.47 -0.55 -1.89 0.00 0.00 176.35 173.45 2x9s s SER 27 N 3.36 6.62 0.20 3.68 0.15 -0.26 -0.20 113.70 127.26 2x9s s SER 27 Ca 0.16 0.74 0.06 0.00 0.70 0.00 0.00 55.95 57.61 2x9s s SER 27 Cb -0.19 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 2x9s s SER 27 CO 0.01 -0.04 0.15 -0.69 1.20 0.00 0.00 173.24 173.86 2x9s s VAL 28 N 0.90 4.41 -0.25 4.45 1.01 -1.26 -0.75 120.40 128.91 2x9s s VAL 28 Ca 0.24 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 2x9s s VAL 28 Cb -0.15 -3.30 0.10 0.00 0.00 0.00 0.00 36.38 33.04 2x9s s VAL 28 CO 0.09 -0.20 0.20 0.12 0.00 0.00 0.00 175.10 175.31 2x9s s PHE 29 N -1.90 -0.10 0.05 5.22 5.99 0.18 -4.25 117.98 123.17 2x9s s PHE 29 Ca 0.31 -0.28 -0.25 0.00 0.00 0.00 0.00 56.93 56.72 2x9s s PHE 29 Cb -0.09 -0.59 -0.06 0.00 0.00 0.00 0.00 43.02 42.28 2x9s s PHE 29 CO 0.24 -0.75 0.75 0.50 -0.00 0.00 0.00 175.22 175.96 2x9s s ARG 30 N 2.25 4.48 0.12 10.12 6.06 -1.26 -1.04 118.95 139.68 2x9s s ARG 30 Ca 0.08 1.05 0.06 0.00 -2.50 0.00 0.00 55.73 54.41 2x9s s ARG 30 Cb -0.15 -3.35 -0.04 0.00 0.06 0.00 0.00 34.95 31.47 2x9s s ARG 30 CO -0.25 0.32 -0.15 0.45 -2.50 0.00 0.00 175.30 173.17 2x9s s SER 31 N -0.19 2.08 0.40 -2.12 0.15 -0.59 -4.96 113.70 108.46 2x9s s SER 31 Ca 0.38 -0.79 0.16 0.00 0.70 0.00 0.00 55.95 56.40 2x9s s SER 31 Cb -0.21 -0.08 1.04 0.00 -1.71 0.00 0.00 66.02 65.06 2x9s s SER 31 CO 0.23 -0.11 1.83 -0.07 1.20 0.00 0.00 173.24 176.31 2x9s h LEU 32 N 3.60 0.47 0.00 3.45 3.38 -2.06 -3.24 115.31 120.91 2x9s h LEU 32 Ca -0.41 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2x9s h LEU 32 Cb 1.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2x9s h LEU 32 CO 0.49 0.17 -0.81 0.29 0.09 0.00 0.00 178.44 178.66 2x9s n LYS 33 N -4.56 0.49 0.00 1.13 5.02 -1.26 -5.08 118.16 113.90 2x9s n LYS 33 Ca 0.21 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2x9s n LYS 33 Cb 0.72 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2x9s n LYS 33 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2x9s n HIS 34 N -4.45 0.00 -3.26 2.13 8.25 -1.23 -4.96 115.22 111.71 2x9s n HIS 34 Ca -0.11 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.38 2x9s n HIS 34 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 2x9s n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2x9s s ILE 35 N 2.26 -0.52 0.45 1.59 2.07 -1.26 -1.55 121.20 124.25 2x9s s ILE 35 Ca 0.00 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.32 2x9s s ILE 35 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 2x9s s ILE 35 CO 0.00 0.00 0.48 -0.31 -1.91 0.00 0.00 174.94 173.20 2x9s s TYR 36 N 2.74 2.45 -0.29 3.50 1.51 -0.21 -1.42 117.35 125.63 2x9s s TYR 36 Ca 0.02 -0.54 -0.17 0.00 -1.01 0.00 0.00 57.07 55.38 2x9s s TYR 36 Cb -0.09 -2.20 0.15 0.00 -0.11 0.00 0.00 41.96 39.71 2x9s s TYR 36 CO -0.15 -0.37 1.01 0.00 -1.11 0.00 0.00 175.55 174.93 2x9s s ALA 37 N -2.50 -2.30 -0.01 3.71 0.00 -1.17 -0.64 121.76 118.85 2x9s s ALA 37 Ca 0.50 2.16 0.00 0.00 0.00 0.00 0.00 51.96 54.62 2x9s s ALA 37 Cb -0.05 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.36 2x9s s ALA 37 CO 0.30 -0.33 -0.01 1.14 0.00 0.00 0.00 175.76 176.86 2x9s s GLN 38 N 1.23 0.19 -0.63 0.00 -2.07 0.07 -1.59 119.66 116.87 2x9s s GLN 38 Ca -0.08 0.01 -0.23 0.00 -1.82 0.00 0.00 55.36 53.24 2x9s s GLN 38 Cb -0.04 -0.29 0.06 0.00 -1.09 0.00 0.00 33.01 31.65 2x9s s GLN 38 CO -0.14 -0.05 0.97 0.42 -1.32 0.00 0.00 175.29 175.17 2x9s s ILE 39 N 0.49 4.31 0.11 3.63 1.01 0.28 -1.10 121.20 129.93 2x9s s ILE 39 Ca -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 2x9s s ILE 39 Cb -0.07 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 2x9s s ILE 39 CO -0.01 -1.36 0.30 -0.63 0.00 0.00 0.00 174.94 173.24 2x9s s ILE 40 N 4.11 5.28 -0.34 2.92 1.01 0.24 -1.64 121.20 132.79 2x9s s ILE 40 Ca 0.26 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2x9s s ILE 40 Cb -0.15 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 38.79 2x9s s ILE 40 CO 0.13 0.07 0.10 -0.62 0.00 0.00 0.00 174.94 174.63 2x9s s ASP 41 N -2.55 4.19 0.33 3.58 2.15 -0.34 0.19 116.67 124.23 2x9s s ASP 41 Ca 0.38 -1.90 0.00 0.00 0.43 0.00 0.00 52.55 51.45 2x9s s ASP 41 Cb -0.12 -1.09 0.00 0.00 -0.30 0.00 0.00 42.92 41.40 2x9s s ASP 41 CO 0.27 -0.39 0.00 0.47 -0.17 0.00 0.00 175.17 175.35 2x9s n ASP 42 N 4.52 -0.40 -0.11 -0.34 9.92 -1.26 -3.01 116.55 125.87 2x9s n ASP 42 Ca 0.01 -0.13 -0.01 0.00 -0.53 0.00 0.00 54.79 54.12 2x9s n ASP 42 Cb 0.41 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.88 2x9s n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2x9s n GLU 43 N -0.54 -1.96 0.00 -1.24 1.02 -1.26 -4.04 120.64 112.63 2x9s n GLU 43 Ca 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2x9s n GLU 43 Cb 0.00 -4.92 0.00 0.00 -0.02 0.00 0.00 31.44 26.50 2x9s n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x9s n LYS 44 N 0.71 0.17 -3.76 3.49 5.02 -1.24 -5.06 118.16 117.49 2x9s n LYS 44 Ca -0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 2x9s n LYS 44 Cb 0.49 -0.01 0.02 0.00 -0.02 0.00 0.00 35.03 35.50 2x9s n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x9s n GLY 45 N 0.00 -0.37 3.06 0.72 0.00 -1.16 -5.00 105.19 102.44 2x9s n GLY 45 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2x9s n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9s s VAL 46 N -3.73 0.43 -0.18 1.61 1.01 -1.17 -5.03 120.40 113.34 2x9s s VAL 46 Ca 0.06 -1.20 -0.09 0.00 0.00 0.00 0.00 61.98 60.75 2x9s s VAL 46 Cb -0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2x9s s VAL 46 CO 0.84 -0.52 0.12 -0.89 0.00 0.00 0.00 175.10 174.65 2x9s s THR 47 N -1.88 5.32 -0.17 3.92 2.01 -1.26 -1.20 115.64 122.38 2x9s s THR 47 Ca -0.07 0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.18 2x9s s THR 47 Cb -0.07 -3.40 -0.18 0.00 0.01 0.00 0.00 72.50 68.87 2x9s s THR 47 CO -0.01 0.48 -0.02 0.18 -0.69 0.00 0.00 174.62 174.56 2x9s n LEU 48 N 3.17 0.90 -3.84 4.42 4.32 -0.65 -4.98 117.00 120.33 2x9s n LEU 48 Ca -0.17 -0.03 -0.12 0.00 -0.02 0.00 0.00 56.01 55.67 2x9s n LEU 48 Cb 0.53 0.06 -0.13 0.00 -1.62 0.00 0.00 43.42 42.26 2x9s n LEU 48 CO 0.35 0.53 -0.24 -0.69 -1.22 0.00 0.00 177.39 176.13 2x9s s VAL 49 N -2.40 0.01 0.01 4.08 1.01 -1.19 -5.00 120.40 116.92 2x9s s VAL 49 Ca -0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2x9s s VAL 49 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 2x9s s VAL 49 CO 0.60 -0.06 0.01 -0.94 0.00 0.00 0.00 175.10 174.72 2x9s s SER 50 N -0.14 0.14 -0.27 3.32 1.04 -1.26 -0.56 113.70 115.97 2x9s s SER 50 Ca -0.02 -0.32 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 2x9s s SER 50 Cb -0.02 0.11 0.16 0.00 0.10 0.00 0.00 66.02 66.37 2x9s s SER 50 CO 0.00 -0.24 0.44 0.00 0.98 0.00 0.00 173.24 174.41 2x9s s ALA 51 N -1.11 -1.39 0.66 5.32 0.00 -0.62 -4.88 121.76 119.74 2x9s s ALA 51 Ca -0.12 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 2x9s s ALA 51 Cb -0.07 -1.96 0.05 0.00 0.00 0.00 0.00 23.12 21.13 2x9s s ALA 51 CO -0.00 -1.50 0.95 -1.12 0.00 0.00 0.00 175.76 174.09 2x9s s SER 52 N 2.61 5.03 0.00 0.00 0.01 -1.26 -3.03 113.70 117.05 2x9s s SER 52 Ca 0.12 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2x9s s SER 52 Cb -0.14 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2x9s s SER 52 CO -0.23 -1.43 0.00 -0.24 0.41 0.00 0.00 173.24 171.76 2x9s n SER 53 N -2.76 0.00 0.00 2.44 2.88 -0.51 -4.12 113.62 111.55 2x9s n SER 53 Ca 0.07 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.73 2x9s n SER 53 Cb 0.60 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.74 2x9s n SER 53 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2x9s n LEU 54 N 0.00 0.00 -0.40 2.46 7.99 -1.26 -2.08 117.00 123.70 2x9s n LEU 54 Ca 0.00 0.09 0.09 0.00 -0.01 0.00 0.00 56.01 56.18 2x9s n LEU 54 Cb 0.00 -0.09 0.36 0.00 -0.11 0.00 0.00 43.42 43.58 2x9s n LEU 54 CO 0.00 -0.02 0.75 0.00 -1.51 0.00 0.00 177.39 176.61 2x9s n ALA 55 N -1.09 2.53 -0.69 -1.18 0.00 -1.26 -1.98 120.51 116.83 2x9s n ALA 55 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2x9s n ALA 55 Cb 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2x9s n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2x9s n LEU 56 N 0.04 0.45 -1.64 0.00 0.00 -0.88 -4.81 117.00 110.16 2x9s n LEU 56 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 56.01 55.70 2x9s n LEU 56 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.66 2x9s n LEU 56 CO 0.11 0.11 -0.40 0.29 0.00 0.00 0.00 177.39 177.50 2x9s n LYS 57 N -0.07 -4.47 -3.86 1.96 4.76 -0.84 -5.03 118.16 110.62 2x9s n LYS 57 Ca 0.00 3.23 -0.03 0.00 -2.87 0.00 0.00 58.31 58.64 2x9s n LYS 57 Cb 0.28 -3.50 0.01 0.00 -1.84 0.00 0.00 35.03 29.99 2x9s n LYS 57 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2x9s s LEU 58 N -1.39 -0.02 0.00 -0.35 2.96 -1.26 -4.84 118.68 113.78 2x9s s LEU 58 Ca 0.00 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 2x9s s LEU 58 Cb 0.00 2.10 0.01 0.00 0.50 0.00 0.00 46.19 48.80 2x9s s LEU 58 CO 0.00 -0.98 0.03 1.17 -1.32 0.00 0.00 176.35 175.24 2x9s n LYS 59 N -0.66 1.70 0.00 1.98 4.81 -1.26 -4.90 118.16 119.83 2x9s n LYS 59 Ca -0.04 -0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.43 2x9s n LYS 59 Cb 0.60 -0.57 -0.07 0.00 0.02 0.00 0.00 35.03 35.01 2x9s n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2x9s n GLY 60 N 1.37 -0.25 0.00 3.14 0.00 -1.26 -4.97 105.19 103.22 2x9s n GLY 60 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2x9s n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2x9s n ASN 61 N -1.19 0.00 0.05 1.61 2.85 -1.26 -5.05 115.26 112.27 2x9s n ASN 61 Ca 0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2x9s n ASN 61 Cb 0.22 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.24 2x9s n ASN 61 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2x9s n LYS 62 N 0.00 0.00 0.06 1.20 4.76 -1.26 -4.60 118.16 118.32 2x9s n LYS 62 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 2x9s n LYS 62 Cb 0.00 -0.33 -0.09 0.00 -1.84 0.00 0.00 35.03 32.77 2x9s n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2x9s h THR 63 N 0.00 1.05 -0.84 -0.18 1.35 -1.96 -1.23 112.91 111.09 2x9s h THR 63 Ca 0.00 -0.65 0.15 0.00 -0.55 0.00 0.00 66.41 65.36 2x9s h THR 63 Cb 0.00 1.46 -0.10 0.00 -1.73 0.00 0.00 68.15 67.78 2x9s h THR 63 CO 0.00 0.16 0.42 -0.33 -0.25 0.00 0.00 175.52 175.51 2x9s h GLU 64 N -0.46 0.56 -0.53 4.72 3.07 -1.98 0.52 114.58 120.50 2x9s h GLU 64 Ca -0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2x9s h GLU 64 Cb 0.37 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2x9s h GLU 64 CO 0.03 0.37 0.27 0.28 -1.40 0.00 0.00 179.01 178.55 2x9s h VAL 65 N 0.58 1.17 0.40 3.13 2.07 -1.76 -2.34 116.25 119.50 2x9s h VAL 65 Ca 0.47 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2x9s h VAL 65 Cb 0.69 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2x9s h VAL 65 CO -0.38 0.20 -0.29 0.00 0.02 0.00 0.00 177.57 177.12 2x9s h ALA 66 N 1.56 -0.68 -0.16 1.67 0.00 0.13 -0.20 119.26 121.58 2x9s h ALA 66 Ca 0.19 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2x9s h ALA 66 Cb 0.06 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2x9s h ALA 66 CO -0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 179.25 178.13 2x9s h ARG 67 N -0.68 -0.22 -0.23 0.00 3.08 -0.98 0.27 114.38 115.62 2x9s h ARG 67 Ca -0.04 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2x9s h ARG 67 Cb 0.58 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2x9s h ARG 67 CO 0.01 -0.15 0.12 1.96 -1.07 0.00 0.00 179.97 180.84 2x9s h GLN 68 N -0.23 0.24 0.00 0.04 4.20 -1.32 0.23 115.11 118.26 2x9s h GLN 68 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2x9s h GLN 68 Cb 0.39 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2x9s h GLN 68 CO -0.29 0.16 0.00 1.55 -0.67 0.00 0.00 178.83 179.58 2x9s n VAL 69 N -4.98 0.94 0.00 -0.54 3.14 -0.10 -1.64 118.33 115.15 2x9s n VAL 69 Ca -0.02 0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.69 2x9s n VAL 69 Cb 0.05 -1.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.59 2x9s n VAL 69 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2x9s n GLY 70 N -0.28 -0.91 0.32 7.55 0.00 0.93 -2.97 105.19 109.83 2x9s n GLY 70 Ca 0.02 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.21 2x9s n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2x9s h ARG 71 N 0.00 0.26 -0.37 1.61 3.08 -0.97 -0.74 114.38 117.25 2x9s h ARG 71 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.08 2x9s h ARG 71 Cb 0.00 -0.06 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 2x9s h ARG 71 CO 0.00 0.17 -0.48 0.00 -1.07 0.00 0.00 179.97 178.60 2x9s h ALA 72 N 1.81 -0.70 0.04 0.04 0.00 -1.41 0.12 119.26 119.15 2x9s h ALA 72 Ca 0.63 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.57 2x9s h ALA 72 Cb 1.33 1.08 -0.05 0.00 0.00 0.00 0.00 17.79 20.15 2x9s h ALA 72 CO -0.63 -0.94 -0.32 1.25 0.00 0.00 0.00 179.25 178.62 2x9s h LEU 73 N -0.33 -0.93 -0.84 0.00 6.46 -1.03 -2.19 115.31 116.45 2x9s h LEU 73 Ca 0.06 0.12 0.20 0.00 -0.12 0.00 0.00 57.88 58.14 2x9s h LEU 73 Cb 0.50 0.37 -0.12 0.00 -0.73 0.00 0.00 40.66 40.68 2x9s h LEU 73 CO -0.52 -0.39 0.30 0.00 -0.62 0.00 0.00 178.44 177.22 2x9s h ALA 74 N 0.22 1.24 0.40 1.25 0.00 -1.12 0.46 119.26 121.71 2x9s h ALA 74 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2x9s h ALA 74 Cb 0.56 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2x9s h ALA 74 CO -0.24 -0.34 -0.21 1.49 0.00 0.00 0.00 179.25 179.95 2x9s h GLU 75 N 0.35 -0.53 -1.07 0.00 4.81 -0.40 -0.24 114.58 117.49 2x9s h GLU 75 Ca 0.50 0.04 0.31 0.00 -0.13 0.00 0.00 59.36 60.08 2x9s h GLU 75 Cb 0.93 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.30 2x9s h GLU 75 CO -0.53 -0.36 0.66 0.87 -0.73 0.00 0.00 179.01 178.92 2x9s h LYS 76 N -0.55 0.34 0.00 1.92 1.57 -0.84 -2.15 116.57 116.85 2x9s h LYS 76 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2x9s h LYS 76 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2x9s h LYS 76 CO 0.08 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 2x9s n ALA 77 N -2.39 -0.29 -0.56 3.86 0.00 0.16 -2.99 120.51 118.29 2x9s n ALA 77 Ca 0.30 0.00 0.46 0.00 0.00 0.00 0.00 53.44 54.20 2x9s n ALA 77 Cb 0.99 0.03 0.78 0.00 0.00 0.00 0.00 19.45 21.26 2x9s n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2x9s h LEU 78 N 0.00 0.03 -1.36 0.00 3.38 -0.43 0.64 115.31 117.56 2x9s h LEU 78 Ca 0.00 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2x9s h LEU 78 Cb 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 2x9s h LEU 78 CO 0.00 -0.01 0.54 0.00 0.09 0.00 0.00 178.44 179.05 2x9s h ALA 79 N 1.20 1.84 -0.04 1.53 0.00 -1.33 -0.14 119.26 122.32 2x9s h ALA 79 Ca 0.81 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.72 2x9s h ALA 79 Cb 3.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.82 2x9s h ALA 79 CO -0.05 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.45 2x9s n LEU 80 N -4.52 1.68 0.00 0.00 4.77 0.22 -4.90 117.00 114.25 2x9s n LEU 80 Ca 0.15 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 2x9s n LEU 80 Cb 0.41 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2x9s n LEU 80 CO 0.31 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2x9s n GLY 81 N 1.19 0.77 3.58 -0.72 0.00 -0.06 -4.99 105.19 104.96 2x9s n GLY 81 Ca 0.18 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2x9s n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x9s s ILE 82 N -2.00 4.01 -0.04 -0.61 -1.09 -1.20 -4.80 121.20 115.46 2x9s s ILE 82 Ca 0.00 -1.64 -0.01 0.00 -2.23 0.00 0.00 60.65 56.77 2x9s s ILE 82 Cb 0.00 -5.08 -0.01 0.00 -1.58 0.00 0.00 42.46 35.79 2x9s s ILE 82 CO 0.00 -1.86 0.07 0.50 -1.23 0.00 0.00 174.94 172.42 2x9s h LYS 83 N 8.15 -0.03 -6.19 2.79 3.64 -1.91 -3.33 116.57 119.70 2x9s h LYS 83 Ca 0.39 0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 59.11 2x9s h LYS 83 Cb 0.90 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.61 2x9s h LYS 83 CO 1.42 -0.02 -0.63 1.14 -2.27 0.00 0.00 179.45 179.09 2x9s s GLN 84 N -1.42 2.79 0.00 1.90 -2.07 -1.26 0.23 119.66 119.82 2x9s s GLN 84 Ca -0.01 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 2x9s s GLN 84 Cb 0.00 -2.68 0.00 0.00 -1.09 0.00 0.00 33.01 29.24 2x9s s GLN 84 CO 0.02 0.59 0.00 1.33 -1.32 0.00 0.00 175.29 175.91 2x9s n VAL 85 N 0.97 0.00 -4.14 3.63 0.24 -1.25 -4.86 118.33 112.92 2x9s n VAL 85 Ca -0.12 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 2x9s n VAL 85 Cb 0.52 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 2x9s n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x9s s ALA 86 N -1.69 0.41 -0.03 2.33 0.00 0.69 -4.46 121.76 119.01 2x9s s ALA 86 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 2x9s s ALA 86 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2x9s s ALA 86 CO 0.00 0.10 0.88 0.12 0.00 0.00 0.00 175.76 176.85 2x9s s PHE 87 N -0.10 3.62 0.00 0.00 5.36 -1.26 -0.02 117.98 125.58 2x9s s PHE 87 Ca 0.02 1.52 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 2x9s s PHE 87 Cb -0.02 -3.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 2x9s s PHE 87 CO -0.00 0.02 0.00 -3.47 -1.46 0.00 0.00 175.22 170.30 2x9s n ASP 88 N 3.91 0.00 -2.58 6.13 4.64 0.72 -4.90 116.55 124.48 2x9s n ASP 88 Ca 0.03 0.00 -0.02 0.00 -1.38 0.00 0.00 54.79 53.42 2x9s n ASP 88 Cb 0.51 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.57 2x9s n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2x9s n ARG 89 N 0.00 -3.63 0.00 -0.67 3.00 -1.26 -4.76 116.66 109.33 2x9s n ARG 89 Ca 0.00 2.86 0.00 0.00 -0.00 0.00 0.00 57.85 60.71 2x9s n ARG 89 Cb 0.00 -4.95 0.00 0.00 0.00 0.00 0.00 32.46 27.51 2x9s n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2x9s n GLY 90 N 1.00 -3.19 0.00 5.14 0.00 -1.26 -1.41 105.19 105.46 2x9s n GLY 90 Ca -0.15 0.43 0.02 0.00 0.00 0.00 0.00 46.02 46.32 2x9s n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2x9s n PRO 91 N -1.48 0.52 0.00 1.61 -0.04 -1.26 -4.52 135.00 129.83 2x9s n PRO 91 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2x9s n PRO 91 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2x9s n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2x9s n TYR 92 N -0.64 0.00 -2.59 0.54 4.11 -0.50 -4.83 117.16 113.25 2x9s n TYR 92 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.91 2x9s n TYR 92 Cb 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.36 2x9s n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2x9s n LYS 93 N -1.14 -0.82 0.00 -3.48 3.00 -1.26 -4.73 118.16 109.73 2x9s n LYS 93 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2x9s n LYS 93 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 35.03 32.18 2x9s n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2x9s n TYR 94 N -2.68 0.00 -3.62 5.64 9.36 -1.26 -4.80 117.16 119.81 2x9s n TYR 94 Ca -0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 2x9s n TYR 94 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 2x9s n TYR 94 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2x9s n HIS 95 N 0.00 -0.40 0.00 2.98 -0.00 -1.26 -5.06 115.22 111.48 2x9s n HIS 95 Ca 0.00 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2x9s n HIS 95 Cb 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 2x9s n HIS 95 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2x9s n GLY 96 N -0.01 0.11 0.88 1.57 0.00 -1.26 -1.43 105.19 105.05 2x9s n GLY 96 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2x9s n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2x9s n ARG 97 N 0.00 0.00 -1.65 1.61 0.00 -1.26 -4.77 116.66 110.59 2x9s n ARG 97 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2x9s n ARG 97 Cb 0.00 -1.00 -0.03 0.00 -0.00 0.00 0.00 32.46 31.43 2x9s n ARG 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2x9s s VAL 98 N 0.09 3.04 -1.26 8.89 1.01 -0.52 -4.89 120.40 126.77 2x9s s VAL 98 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 2x9s s VAL 98 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2x9s s VAL 98 CO 0.00 -0.02 3.00 0.29 0.00 0.00 0.00 175.10 178.37 2x9s n LYS 99 N 8.30 3.48 -0.82 2.72 5.02 -1.26 -4.64 118.16 130.96 2x9s n LYS 99 Ca 0.26 -2.16 -0.44 0.00 -2.02 0.00 0.00 58.31 53.95 2x9s n LYS 99 Cb 0.44 -2.61 -0.09 0.00 -0.02 0.00 0.00 35.03 32.75 2x9s n LYS 99 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x9s n ALA 100 N 3.05 2.00 -2.33 7.82 0.00 -1.26 -4.86 120.51 124.92 2x9s n ALA 100 Ca 0.69 -2.98 -0.29 0.00 0.00 0.00 0.00 53.44 50.86 2x9s n ALA 100 Cb 0.37 -3.69 -0.03 0.00 0.00 0.00 0.00 19.45 16.09 2x9s n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2x9s s LEU 101 N 0.73 3.92 0.00 0.00 0.05 -1.26 -4.97 118.68 117.16 2x9s s LEU 101 Ca 0.64 0.94 0.00 0.00 0.05 0.00 0.00 54.13 55.76 2x9s s LEU 101 Cb 0.15 -3.80 0.00 0.00 -2.05 0.00 0.00 46.19 40.49 2x9s s LEU 101 CO 0.24 -0.32 0.00 0.00 -0.55 0.00 0.00 176.35 175.72 2x9s n ALA 102 N -1.17 0.00 0.00 1.48 0.00 -1.26 -4.74 120.51 114.82 2x9s n ALA 102 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2x9s n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2x9s n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2x9s n GLU 103 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -4.84 120.64 113.96 2x9s n GLU 103 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2x9s n GLU 103 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2x9s n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2x9s n GLY 104 N 0.00 0.00 2.36 0.62 0.00 -1.26 -4.74 105.19 102.17 2x9s n GLY 104 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2x9s n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9s n ALA 105 N 0.42 6.46 -0.77 4.61 0.00 0.61 -3.80 120.51 128.03 2x9s n ALA 105 Ca 0.00 -2.76 0.07 0.00 0.00 0.00 0.00 53.44 50.76 2x9s n ALA 105 Cb 0.00 -2.22 0.16 0.00 0.00 0.00 0.00 19.45 17.39 2x9s n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2x9s n ARG 106 N 1.35 2.27 0.00 0.00 0.00 -1.26 -3.77 116.66 115.25 2x9s n ARG 106 Ca 0.48 -2.43 0.00 0.00 -0.00 0.00 0.00 57.85 55.90 2x9s n ARG 106 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.60 2x9s n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2x9s n GLU 107 N -0.76 0.00 -0.60 -0.14 4.07 -1.25 -4.62 120.64 117.33 2x9s n GLU 107 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 2x9s n GLU 107 Cb 0.63 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.01 2x9s n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2x9s n GLY 108 N 0.00 0.00 0.00 8.31 0.00 -1.26 -4.99 105.19 107.25 2x9s n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2x9s n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93