#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bad s PRO 11 N 0.00 3.20 0.28 1.97 0.04 -1.26 -4.65 135.00 134.58 3bad s PRO 11 Ca 0.00 1.99 0.02 0.00 0.04 0.00 0.00 61.00 63.05 3bad s PRO 11 Cb 0.00 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 3bad s PRO 11 CO 0.00 -1.07 0.09 0.15 0.04 0.00 0.00 177.00 176.21 3bad s LYS 12 N -3.01 1.48 -0.07 4.56 -0.14 0.26 -3.63 119.74 119.20 3bad s LYS 12 Ca 0.72 -1.81 0.02 0.00 -1.36 0.00 0.00 55.97 53.54 3bad s LYS 12 Cb -0.34 -0.42 -0.02 0.00 -1.68 0.00 0.00 37.83 35.36 3bad s LYS 12 CO 0.40 -0.27 -0.13 -0.51 -0.76 0.00 0.00 175.35 174.08 3bad s LEU 13 N -3.36 2.82 -0.45 3.17 1.43 0.39 -0.53 118.68 122.14 3bad s LEU 13 Ca 0.37 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 3bad s LEU 13 Cb 0.08 -1.59 0.09 0.00 0.03 0.00 0.00 46.19 44.80 3bad s LEU 13 CO 0.14 0.32 0.32 -0.76 0.23 0.00 0.00 176.35 176.60 3bad s LEU 14 N -0.54 5.42 -0.21 1.79 1.43 -1.26 0.34 118.68 125.64 3bad s LEU 14 Ca 0.08 -1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 51.42 3bad s LEU 14 Cb -0.12 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3bad s LEU 14 CO 0.02 -0.61 0.61 -0.47 0.23 0.00 0.00 176.35 176.12 3bad s TYR 15 N 1.48 3.35 -0.07 0.29 5.04 -0.61 -0.86 117.35 125.97 3bad s TYR 15 Ca 0.04 0.86 -0.18 0.00 -2.44 0.00 0.00 57.07 55.35 3bad s TYR 15 Cb -0.24 -2.78 -0.05 0.00 0.35 0.00 0.00 41.96 39.24 3bad s TYR 15 CO 0.03 -0.20 0.48 0.00 -1.34 0.00 0.00 175.55 174.52 3bad h SER 17 N 5.99 0.00 0.00 0.00 4.64 -1.65 -1.47 113.55 121.07 3bad h SER 17 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3bad h SER 17 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3bad h SER 17 CO 0.71 0.49 0.00 -3.20 -0.87 0.00 0.00 176.83 173.96 3bad n ASN 18 N -3.80 0.00 -0.78 4.97 5.15 -1.23 -3.73 115.26 115.84 3bad n ASN 18 Ca -0.01 0.91 0.07 0.00 -0.60 0.00 0.00 54.58 54.95 3bad n ASN 18 Cb 0.53 -0.41 0.18 0.00 -0.53 0.00 0.00 39.78 39.56 3bad n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bad n GLY 19 N -0.95 2.46 2.73 8.20 0.00 -1.26 -4.92 105.19 111.44 3bad n GLY 19 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 3bad n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bad n GLY 20 N 0.78 -0.04 3.82 -0.02 0.00 -0.57 -5.02 105.19 104.15 3bad n GLY 20 Ca 0.14 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3bad n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bad s HIS 21 N -3.10 3.27 -0.18 1.61 3.76 -1.11 -4.64 115.29 114.90 3bad s HIS 21 Ca 0.30 0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 55.17 3bad s HIS 21 Cb -0.13 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 3bad s HIS 21 CO 0.38 0.53 0.33 -0.06 -0.85 0.00 0.00 174.74 175.08 3bad s PHE 22 N -1.49 3.41 0.26 1.40 0.08 0.17 0.60 117.98 122.41 3bad s PHE 22 Ca 0.31 0.58 -0.31 0.00 0.12 0.00 0.00 56.93 57.64 3bad s PHE 22 Cb -0.12 -2.42 -0.13 0.00 -0.57 0.00 0.00 43.02 39.78 3bad s PHE 22 CO 0.24 0.11 1.46 -0.11 -0.10 0.00 0.00 175.22 176.82 3bad n LEU 23 N 4.03 3.49 -3.89 -0.37 7.94 -0.04 -1.95 117.00 126.21 3bad n LEU 23 Ca -0.10 1.15 -0.14 0.00 -1.11 0.00 0.00 56.01 55.81 3bad n LEU 23 Cb 0.52 -1.48 -0.14 0.00 0.53 0.00 0.00 43.42 42.84 3bad n LEU 23 CO 0.40 -0.30 -0.37 -0.60 -1.11 0.00 0.00 177.39 175.40 3bad s ARG 24 N -0.52 0.16 -0.28 1.96 3.52 0.13 -4.54 118.95 119.38 3bad s ARG 24 Ca 0.66 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.25 3bad s ARG 24 Cb -0.60 -0.18 0.07 0.00 -1.56 0.00 0.00 34.95 32.67 3bad s ARG 24 CO 0.50 0.01 -0.08 0.42 -0.81 0.00 0.00 175.30 175.35 3bad s ILE 25 N 0.11 2.22 0.68 4.11 1.01 -1.13 -1.37 121.20 126.83 3bad s ILE 25 Ca -0.01 -1.76 -0.11 0.00 0.00 0.00 0.00 60.65 58.77 3bad s ILE 25 Cb -0.03 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3bad s ILE 25 CO -0.00 -0.14 1.05 -0.76 0.00 0.00 0.00 174.94 175.09 3bad s LEU 26 N 1.07 3.16 0.61 2.97 1.43 0.00 -4.86 118.68 123.06 3bad s LEU 26 Ca -0.05 1.57 0.30 0.00 -1.03 0.00 0.00 54.13 54.93 3bad s LEU 26 Cb -0.20 -4.49 1.68 0.00 0.03 0.00 0.00 46.19 43.22 3bad s LEU 26 CO -0.05 -1.31 2.05 1.55 0.23 0.00 0.00 176.35 178.81 3bad h PRO 27 N -0.61 0.00 -0.35 1.29 0.13 -1.99 0.21 132.00 130.68 3bad h PRO 27 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3bad h PRO 27 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3bad h PRO 27 CO 0.58 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.95 3bad n ASP 28 N -3.54 1.77 0.00 1.44 5.68 -1.26 -4.90 116.55 115.75 3bad n ASP 28 Ca 0.02 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3bad n ASP 28 Cb 0.38 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 3bad n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bad n GLY 29 N 0.95 0.87 3.80 6.12 0.00 0.74 -4.94 105.19 112.73 3bad n GLY 29 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3bad n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bad s THR 30 N -3.49 4.06 -0.05 2.61 -4.23 -1.26 0.14 115.64 113.42 3bad s THR 30 Ca 0.00 1.38 0.06 0.00 -1.18 0.00 0.00 61.69 61.95 3bad s THR 30 Cb 0.00 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 3bad s THR 30 CO 0.00 -0.18 -0.23 -0.69 -0.54 0.00 0.00 174.62 172.98 3bad s VAL 31 N -1.95 1.90 0.00 2.29 1.01 -1.26 -0.82 120.40 121.57 3bad s VAL 31 Ca 0.61 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3bad s VAL 31 Cb -0.15 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3bad s VAL 31 CO 0.19 0.53 0.00 -0.90 0.00 0.00 0.00 175.10 174.92 3bad n ASP 32 N 3.01 0.00 -4.23 3.32 5.75 -0.47 -4.39 116.55 119.54 3bad n ASP 32 Ca -0.18 -0.14 -0.13 0.00 -0.01 0.00 0.00 54.79 54.32 3bad n ASP 32 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3bad n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3bad s GLY 33 N -0.47 0.99 0.03 6.12 0.00 0.13 0.20 107.32 114.31 3bad s GLY 33 Ca 0.00 -1.44 -0.16 0.00 0.00 0.00 0.00 44.72 43.12 3bad s GLY 33 CO 0.00 -1.54 0.36 -1.08 0.00 0.00 0.00 173.10 170.84 3bad s THR 34 N -3.31 0.06 -0.73 0.90 -1.32 -0.82 -4.80 115.64 105.62 3bad s THR 34 Ca 0.15 -0.53 0.23 0.00 -1.21 0.00 0.00 61.69 60.32 3bad s THR 34 Cb 0.03 -0.89 -0.12 0.00 -1.51 0.00 0.00 72.50 70.01 3bad s THR 34 CO -0.01 -0.29 1.06 0.54 -2.21 0.00 0.00 174.62 173.71 3bad n ARG 35 N 0.68 0.20 -2.09 7.08 1.74 -1.26 0.41 116.66 123.41 3bad n ARG 35 Ca -0.19 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.47 3bad n ARG 35 Cb 0.59 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3bad n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3bad s ASP 36 N -3.62 5.78 0.25 0.55 2.15 -1.26 -4.85 116.67 115.68 3bad s ASP 36 Ca 0.05 0.87 0.23 0.00 0.43 0.00 0.00 52.55 54.14 3bad s ASP 36 Cb 0.15 -2.53 0.98 0.00 -0.30 0.00 0.00 42.92 41.22 3bad s ASP 36 CO 0.80 -1.87 1.70 0.54 -0.17 0.00 0.00 175.17 176.16 3bad n ARG 37 N 8.62 0.19 -0.03 4.34 1.74 -1.26 -2.27 116.66 127.98 3bad n ARG 37 Ca 0.21 0.43 0.13 0.00 -0.77 0.00 0.00 57.85 57.84 3bad n ARG 37 Cb 0.49 -1.86 0.43 0.00 -1.02 0.00 0.00 32.46 30.49 3bad n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3bad n SER 38 N -2.21 1.79 -4.70 0.55 3.41 -1.26 -4.92 113.62 106.27 3bad n SER 38 Ca 0.02 -1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 3bad n SER 38 Cb 0.22 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 3bad n SER 38 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bad s ASP 39 N -1.87 6.40 0.00 4.04 -1.08 -0.96 -4.86 116.67 118.33 3bad s ASP 39 Ca 0.36 2.80 0.12 0.00 -0.52 0.00 0.00 52.55 55.31 3bad s ASP 39 Cb 0.20 -2.57 0.53 0.00 -1.46 0.00 0.00 42.92 39.62 3bad s ASP 39 CO 0.31 -1.01 1.37 0.00 0.52 0.00 0.00 175.17 176.36 3bad n GLN 40 N 5.45 0.04 -0.39 4.34 1.13 -1.26 -3.28 117.38 123.41 3bad n GLN 40 Ca 0.18 0.27 0.09 0.00 -1.94 0.00 0.00 57.00 55.59 3bad n GLN 40 Cb 0.37 -1.50 0.24 0.00 0.11 0.00 0.00 30.24 29.47 3bad n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3bad n HIS 41 N -1.46 0.82 0.66 1.08 8.25 -1.26 -4.52 115.22 118.80 3bad n HIS 41 Ca 0.03 -0.87 0.07 0.00 -0.26 0.00 0.00 57.72 56.70 3bad n HIS 41 Cb 0.13 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 3bad n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3bad n ILE 42 N -0.56 0.00 -2.46 1.59 -5.35 -1.21 -2.82 119.36 108.54 3bad n ILE 42 Ca 0.20 -0.33 -0.43 0.00 -0.27 0.00 0.00 62.75 61.92 3bad n ILE 42 Cb 0.84 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.89 3bad n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3bad s GLN 43 N -1.84 3.84 -0.03 6.28 -0.21 -1.26 -4.54 119.66 121.91 3bad s GLN 43 Ca 0.12 1.07 0.04 0.00 0.02 0.00 0.00 55.36 56.60 3bad s GLN 43 Cb 0.12 -3.89 -0.03 0.00 1.00 0.00 0.00 33.01 30.21 3bad s GLN 43 CO 0.39 -1.21 -0.12 -0.51 -2.12 0.00 0.00 175.29 171.72 3bad s LEU 44 N 4.49 2.87 -0.21 2.90 1.43 0.31 -1.86 118.68 128.61 3bad s LEU 44 Ca 0.55 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3bad s LEU 44 Cb -0.14 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3bad s LEU 44 CO 0.25 0.32 -0.05 -1.58 0.23 0.00 0.00 176.35 175.53 3bad s GLN 45 N -0.97 3.39 0.05 1.70 -0.44 0.14 0.92 119.66 124.45 3bad s GLN 45 Ca 0.13 -0.62 -0.02 0.00 -2.50 0.00 0.00 55.36 52.35 3bad s GLN 45 Cb -0.11 -2.99 -0.04 0.00 -1.64 0.00 0.00 33.01 28.23 3bad s GLN 45 CO 0.03 -0.16 0.23 -0.51 0.50 0.00 0.00 175.29 175.38 3bad s LEU 46 N 1.38 4.35 -0.10 3.68 1.02 -1.26 -0.89 118.68 126.86 3bad s LEU 46 Ca 0.05 0.35 -0.06 0.00 0.02 0.00 0.00 54.13 54.48 3bad s LEU 46 Cb -0.14 -2.90 0.04 0.00 0.02 0.00 0.00 46.19 43.20 3bad s LEU 46 CO -0.03 0.18 0.25 -0.94 0.02 0.00 0.00 176.35 175.84 3bad s SER 47 N -2.30 -0.27 -0.56 2.29 1.04 -0.81 -4.88 113.70 108.22 3bad s SER 47 Ca 0.33 0.52 -0.18 0.00 0.48 0.00 0.00 55.95 57.10 3bad s SER 47 Cb -0.13 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.54 3bad s SER 47 CO 0.24 -0.14 0.63 0.00 0.98 0.00 0.00 173.24 174.96 3bad s ALA 48 N 0.85 3.46 0.07 5.32 0.00 -1.26 -0.15 121.76 130.05 3bad s ALA 48 Ca -0.06 -2.19 -0.36 0.00 0.00 0.00 0.00 51.96 49.35 3bad s ALA 48 Cb -0.07 -3.42 -0.19 0.00 0.00 0.00 0.00 23.12 19.44 3bad s ALA 48 CO -0.05 -2.19 1.54 1.49 0.00 0.00 0.00 175.76 176.55 3bad h GLU 49 N 9.07 -1.13 -5.14 0.00 4.81 -1.78 -3.45 114.58 116.97 3bad h GLU 49 Ca -0.29 0.08 -0.59 0.00 -0.13 0.00 0.00 59.36 58.43 3bad h GLU 49 Cb 1.09 0.26 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 3bad h GLU 49 CO 1.05 -0.75 -0.53 0.45 -0.73 0.00 0.00 179.01 178.50 3bad s SER 50 N -4.07 3.16 -0.07 1.04 0.15 -1.23 -5.03 113.70 107.65 3bad s SER 50 Ca -0.18 -1.62 -0.31 0.00 0.70 0.00 0.00 55.95 54.54 3bad s SER 50 Cb 0.03 0.40 -0.09 0.00 -1.71 0.00 0.00 66.02 64.64 3bad s SER 50 CO 0.58 -0.85 2.01 0.52 1.20 0.00 0.00 173.24 176.70 3bad n VAL 51 N -0.98 0.61 -0.94 4.45 0.31 -1.26 -1.47 118.33 119.04 3bad n VAL 51 Ca -0.09 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3bad n VAL 51 Cb 0.66 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3bad n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bad n GLY 52 N 4.84 1.01 3.41 2.92 0.00 -1.26 -5.02 105.19 111.10 3bad n GLY 52 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3bad n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bad s GLU 53 N -0.04 2.98 0.05 1.61 2.02 -0.54 -0.85 118.70 123.93 3bad s GLU 53 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.28 3bad s GLU 53 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 3bad s GLU 53 CO 0.00 0.39 -0.02 0.14 0.02 0.00 0.00 175.26 175.79 3bad s VAL 54 N -0.12 0.21 0.02 2.63 -7.23 0.32 -2.10 120.40 114.13 3bad s VAL 54 Ca -0.02 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.40 3bad s VAL 54 Cb -0.14 -1.52 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3bad s VAL 54 CO 0.04 -0.97 -0.03 -0.31 -0.31 0.00 0.00 175.10 173.51 3bad s TYR 55 N -3.92 2.97 -0.30 2.82 2.02 0.79 -1.41 117.35 120.32 3bad s TYR 55 Ca 0.07 0.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3bad s TYR 55 Cb 0.08 -1.61 0.09 0.00 -0.40 0.00 0.00 41.96 40.11 3bad s TYR 55 CO -0.10 0.43 0.01 0.42 -1.57 0.00 0.00 175.55 174.74 3bad s ILE 56 N -1.09 1.86 -0.09 2.71 1.01 -1.26 -1.92 121.20 122.42 3bad s ILE 56 Ca 0.20 -1.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.00 3bad s ILE 56 Cb -0.11 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3bad s ILE 56 CO 0.11 -0.42 -0.05 -0.75 0.00 0.00 0.00 174.94 173.82 3bad s LYS 57 N 1.16 3.03 -0.09 2.79 2.20 -0.07 -0.80 119.74 127.97 3bad s LYS 57 Ca 0.04 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 3bad s LYS 57 Cb -0.19 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 3bad s LYS 57 CO -0.10 0.55 1.20 0.45 -0.36 0.00 0.00 175.35 177.09 3bad s SER 58 N -0.49 7.04 0.23 1.43 0.15 0.26 0.24 113.70 122.57 3bad s SER 58 Ca 0.08 1.76 0.03 0.00 0.70 0.00 0.00 55.95 58.52 3bad s SER 58 Cb -0.12 -2.55 0.23 0.00 -1.71 0.00 0.00 66.02 61.86 3bad s SER 58 CO 0.02 -0.62 1.55 0.71 1.20 0.00 0.00 173.24 176.10 3bad h THR 59 N 5.13 1.38 0.00 6.45 1.35 -1.70 0.51 112.91 126.03 3bad h THR 59 Ca -0.32 -1.98 -0.05 0.00 -0.55 0.00 0.00 66.41 63.51 3bad h THR 59 Cb 1.14 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 3bad h THR 59 CO 0.90 0.59 -0.26 -0.08 -0.25 0.00 0.00 175.52 176.42 3bad h GLU 60 N 0.20 0.00 0.00 4.72 4.57 -1.80 -3.34 114.58 118.94 3bad h GLU 60 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3bad h GLU 60 Cb 1.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3bad h GLU 60 CO 0.10 0.26 0.00 0.25 -1.18 0.00 0.00 179.01 178.43 3bad n THR 61 N -4.08 0.00 -0.96 0.32 -2.24 -1.20 -5.03 114.28 101.09 3bad n THR 61 Ca -0.02 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3bad n THR 61 Cb 0.32 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3bad n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bad n GLY 62 N 0.29 0.49 3.79 3.38 0.00 0.18 -5.01 105.19 108.31 3bad n GLY 62 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3bad n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bad s GLN 63 N -0.44 4.31 -0.15 1.61 -0.21 -1.24 -4.71 119.66 118.82 3bad s GLN 63 Ca 0.00 1.36 -0.07 0.00 0.02 0.00 0.00 55.36 56.67 3bad s GLN 63 Cb 0.00 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 3bad s GLN 63 CO 0.00 0.02 0.09 0.71 -2.12 0.00 0.00 175.29 173.99 3bad s TYR 64 N -1.76 3.38 0.33 0.91 1.51 0.16 -0.57 117.35 121.31 3bad s TYR 64 Ca 0.56 0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 56.63 3bad s TYR 64 Cb -0.18 -2.01 -0.11 0.00 -0.11 0.00 0.00 41.96 39.55 3bad s TYR 64 CO 0.23 0.41 1.42 -1.17 -1.11 0.00 0.00 175.55 175.33 3bad s LEU 65 N -0.25 4.37 0.10 -1.29 2.96 0.02 0.08 118.68 124.67 3bad s LEU 65 Ca 0.09 2.84 -0.15 0.00 -0.22 0.00 0.00 54.13 56.70 3bad s LEU 65 Cb -0.12 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 42.95 3bad s LEU 65 CO 0.01 -0.72 0.36 0.00 -1.32 0.00 0.00 176.35 174.68 3bad s ALA 66 N -0.87 -0.81 -0.10 5.97 0.00 -0.46 -4.34 121.76 121.16 3bad s ALA 66 Ca 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3bad s ALA 66 Cb -0.43 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.27 3bad s ALA 66 CO 0.55 -0.57 -0.11 1.41 0.00 0.00 0.00 175.76 177.04 3bad s MET 67 N -3.46 1.78 0.72 0.00 1.75 -0.85 -0.81 119.30 118.43 3bad s MET 67 Ca 0.01 -0.39 -0.08 0.00 -1.25 0.00 0.00 55.69 53.98 3bad s MET 67 Cb 0.02 -1.63 0.16 0.00 2.84 0.00 0.00 34.83 36.21 3bad s MET 67 CO -0.09 -0.14 0.98 -0.40 -0.65 0.00 0.00 175.02 174.73 3bad n ASP 68 N 4.44 0.53 0.22 1.11 5.68 -0.17 -4.81 116.55 123.54 3bad n ASP 68 Ca -0.17 -1.63 0.15 0.00 -0.50 0.00 0.00 54.79 52.63 3bad n ASP 68 Cb 0.51 -0.71 0.65 0.00 -1.14 0.00 0.00 41.12 40.42 3bad n ASP 68 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3bad h THR 69 N -1.18 0.00 -0.08 2.12 1.35 -2.01 -0.77 112.91 112.34 3bad h THR 69 Ca -0.32 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 3bad h THR 69 Cb 1.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3bad h THR 69 CO 0.27 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.54 3bad n ALA 70 N -1.94 2.57 -1.00 6.62 0.00 -1.26 -4.90 120.51 120.60 3bad n ALA 70 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 3bad n ALA 70 Cb 0.24 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 3bad n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bad n GLY 71 N 1.10 0.47 3.82 0.00 0.00 -0.29 -4.79 105.19 105.49 3bad n GLY 71 Ca 0.18 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3bad n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bad s LEU 72 N -0.02 4.51 0.17 0.99 1.43 -1.25 -0.76 118.68 123.75 3bad s LEU 72 Ca 0.00 1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 54.13 3bad s LEU 72 Cb 0.00 -2.88 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 3bad s LEU 72 CO 0.00 0.27 0.66 -0.76 0.23 0.00 0.00 176.35 176.75 3bad s LEU 73 N -1.15 4.42 0.20 1.79 1.43 -1.26 -1.00 118.68 123.10 3bad s LEU 73 Ca 0.29 1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 54.60 3bad s LEU 73 Cb -0.19 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.70 3bad s LEU 73 CO 0.18 0.12 0.44 -0.72 0.23 0.00 0.00 176.35 176.61 3bad s TYR 74 N -1.37 0.16 -0.34 0.29 1.13 0.01 -4.54 117.35 112.68 3bad s TYR 74 Ca 0.38 -0.52 -0.13 0.00 -1.41 0.00 0.00 57.07 55.39 3bad s TYR 74 Cb -0.18 0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.87 3bad s TYR 74 CO 0.21 -0.88 0.24 0.20 -2.51 0.00 0.00 175.55 172.81 3bad s GLY 75 N -2.94 1.97 -0.21 5.49 0.00 0.12 -1.35 107.32 110.40 3bad s GLY 75 Ca 0.15 -1.40 -0.16 0.00 0.00 0.00 0.00 44.72 43.31 3bad s GLY 75 CO 0.01 0.78 0.41 -0.45 0.00 0.00 0.00 173.10 173.86 3bad s SER 76 N 1.72 6.43 0.55 1.64 0.15 0.11 -4.69 113.70 119.62 3bad s SER 76 Ca 0.06 0.50 0.34 0.00 0.70 0.00 0.00 55.95 57.56 3bad s SER 76 Cb -0.17 -2.24 1.46 0.00 -1.71 0.00 0.00 66.02 63.36 3bad s SER 76 CO 0.10 -0.11 2.01 1.56 1.20 0.00 0.00 173.24 178.01 3bad h GLN 77 N 7.51 0.00 -5.00 5.44 4.20 -1.88 0.45 115.11 125.83 3bad h GLN 77 Ca -0.35 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.82 3bad h GLN 77 Cb 1.16 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.62 3bad h GLN 77 CO 0.71 0.00 -0.83 -0.08 -0.67 0.00 0.00 178.83 177.96 3bad s THR 78 N -3.70 1.31 0.21 -0.54 -1.32 -1.26 -4.80 115.64 105.53 3bad s THR 78 Ca 0.01 -0.62 -0.30 0.00 -1.21 0.00 0.00 61.69 59.56 3bad s THR 78 Cb 0.09 -1.15 -0.09 0.00 -1.51 0.00 0.00 72.50 69.84 3bad s THR 78 CO 0.52 0.39 1.39 -2.16 -2.21 0.00 0.00 174.62 172.55 3bad s PRO 79 N 0.26 4.32 0.04 7.08 0.04 -1.26 -4.91 135.00 140.57 3bad s PRO 79 Ca -0.08 2.18 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 3bad s PRO 79 Cb -0.13 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.26 3bad s PRO 79 CO 0.03 -0.36 0.06 0.27 0.04 0.00 0.00 177.00 177.04 3bad n ASN 80 N 2.65 -0.17 0.26 6.66 0.23 -1.26 -5.01 115.26 118.63 3bad n ASN 80 Ca 0.07 -1.21 0.16 0.00 -0.53 0.00 0.00 54.58 53.07 3bad n ASN 80 Cb 0.41 0.31 0.89 0.00 -2.08 0.00 0.00 39.78 39.31 3bad n ASN 80 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3bad h GLU 81 N 0.00 0.00 0.00 -3.83 4.81 -1.99 -0.65 114.58 112.92 3bad h GLU 81 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3bad h GLU 81 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3bad h GLU 81 CO 0.04 0.00 -0.17 0.39 -0.73 0.00 0.00 179.01 178.54 3bad n GLU 82 N -3.79 0.02 0.00 1.92 1.02 -1.26 -3.66 120.64 114.89 3bad n GLU 82 Ca -0.01 0.01 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 3bad n GLU 82 Cb 0.18 -1.52 0.36 0.00 -0.02 0.00 0.00 31.44 30.44 3bad n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bad s LEU 84 N -2.44 4.34 0.02 0.00 1.43 -1.24 -4.43 118.68 116.36 3bad s LEU 84 Ca 0.25 1.08 0.05 0.00 -1.03 0.00 0.00 54.13 54.48 3bad s LEU 84 Cb 0.19 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.46 3bad s LEU 84 CO 0.50 -0.02 -0.15 -0.36 0.23 0.00 0.00 176.35 176.56 3bad s PHE 85 N 0.45 1.29 -0.33 0.29 0.40 -0.50 -1.28 117.98 118.30 3bad s PHE 85 Ca 0.32 -0.31 -0.23 0.00 -0.60 0.00 0.00 56.93 56.11 3bad s PHE 85 Cb -0.17 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.57 3bad s PHE 85 CO 0.16 0.02 0.79 -0.51 0.70 0.00 0.00 175.22 176.38 3bad s LEU 86 N -0.80 4.09 -0.35 -0.37 1.02 0.91 -0.52 118.68 122.67 3bad s LEU 86 Ca 0.04 0.55 -0.19 0.00 0.02 0.00 0.00 54.13 54.55 3bad s LEU 86 Cb -0.07 -3.07 -0.00 0.00 0.02 0.00 0.00 46.19 43.07 3bad s LEU 86 CO 0.01 -0.67 0.56 -0.70 0.02 0.00 0.00 176.35 175.57 3bad s GLU 87 N 3.03 3.66 -0.03 1.70 2.12 -0.03 -1.88 118.70 127.27 3bad s GLU 87 Ca 0.32 -0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.67 3bad s GLU 87 Cb -0.14 -3.80 -0.02 0.00 0.26 0.00 0.00 34.13 30.43 3bad s GLU 87 CO 0.14 -0.67 -0.24 0.50 -0.54 0.00 0.00 175.26 174.45 3bad s ARG 88 N 2.52 2.19 -0.24 4.30 3.52 -0.65 -4.84 118.95 125.75 3bad s ARG 88 Ca 0.21 -0.89 -0.15 0.00 -0.13 0.00 0.00 55.73 54.78 3bad s ARG 88 Cb -0.15 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.10 3bad s ARG 88 CO 0.14 0.57 0.37 -1.17 -0.81 0.00 0.00 175.30 174.39 3bad s LEU 89 N -0.62 4.08 0.40 -0.88 2.96 -1.26 -1.03 118.68 122.33 3bad s LEU 89 Ca 0.10 0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 54.23 3bad s LEU 89 Cb -0.10 -2.43 -0.08 0.00 0.50 0.00 0.00 46.19 44.07 3bad s LEU 89 CO -0.01 -0.13 0.81 -1.61 -1.32 0.00 0.00 176.35 174.09 3bad s GLU 90 N 1.74 3.92 0.29 1.98 0.41 0.19 -4.98 118.70 122.25 3bad s GLU 90 Ca 0.16 0.67 0.03 0.00 -0.41 0.00 0.00 54.97 55.42 3bad s GLU 90 Cb -0.15 -2.34 0.61 0.00 -1.78 0.00 0.00 34.13 30.47 3bad s GLU 90 CO 0.09 -0.01 1.82 1.05 -0.49 0.00 0.00 175.26 177.72 3bad h GLU 91 N 1.59 0.90 0.00 1.61 9.09 -1.98 -1.16 114.58 124.63 3bad h GLU 91 Ca -0.47 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.88 3bad h GLU 91 Cb 1.18 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 28.08 3bad h GLU 91 CO 0.64 0.59 0.00 -2.95 0.05 0.00 0.00 179.01 177.34 3bad h ASN 92 N 0.92 0.00 0.00 3.06 7.08 -2.04 -3.45 115.58 121.15 3bad h ASN 92 Ca 0.52 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.74 3bad h ASN 92 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 3bad h ASN 92 CO -0.30 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.66 3bad n GLY 93 N -0.66 0.96 3.93 9.14 0.00 -0.44 -5.10 105.19 113.02 3bad n GLY 93 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3bad n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bad s TYR 94 N -2.00 3.48 0.17 1.61 2.02 -1.25 -4.87 117.35 116.51 3bad s TYR 94 Ca 0.00 0.34 0.06 0.00 -0.37 0.00 0.00 57.07 57.10 3bad s TYR 94 Cb 0.00 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3bad s TYR 94 CO 0.00 0.32 0.11 -0.80 -1.57 0.00 0.00 175.55 173.62 3bad s ASN 95 N -3.36 5.38 0.16 2.29 0.02 0.83 0.57 114.94 120.83 3bad s ASN 95 Ca 0.39 -0.18 0.09 0.00 -1.02 0.00 0.00 52.86 52.13 3bad s ASN 95 Cb -0.11 -1.36 -0.04 0.00 0.02 0.00 0.00 41.25 39.76 3bad s ASN 95 CO 0.30 0.07 -0.19 0.42 0.02 0.00 0.00 177.10 177.72 3bad s THR 96 N -1.76 1.83 -0.14 1.60 -4.23 -0.19 -0.51 115.64 112.25 3bad s THR 96 Ca 0.30 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3bad s THR 96 Cb -0.10 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 71.94 3bad s THR 96 CO 0.23 -0.29 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.68 3bad s TYR 97 N -1.97 1.30 -0.09 3.99 2.02 -1.26 -1.64 117.35 119.70 3bad s TYR 97 Ca 0.15 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 3bad s TYR 97 Cb -0.06 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.34 3bad s TYR 97 CO 0.07 -0.53 -0.03 0.42 -1.57 0.00 0.00 175.55 173.90 3bad s ILE 98 N 1.77 4.00 0.16 2.71 1.01 -0.79 -1.40 121.20 128.65 3bad s ILE 98 Ca 0.02 -0.36 -0.33 0.00 0.00 0.00 0.00 60.65 59.98 3bad s ILE 98 Cb -0.14 -2.67 -0.13 0.00 0.01 0.00 0.00 42.46 39.53 3bad s ILE 98 CO -0.07 0.59 1.63 -0.24 0.00 0.00 0.00 174.94 176.85 3bad n SER 99 N 2.34 3.33 0.05 3.58 2.88 -0.33 -0.06 113.62 125.42 3bad n SER 99 Ca -0.18 1.07 -0.12 0.00 -1.33 0.00 0.00 58.87 58.30 3bad n SER 99 Cb 0.53 -1.46 -0.09 0.00 -0.75 0.00 0.00 64.21 62.44 3bad n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3bad h LYS 100 N 6.33 -0.16 -1.00 -1.46 3.64 -1.50 0.71 116.57 123.14 3bad h LYS 100 Ca -0.45 0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.21 3bad h LYS 100 Cb 1.24 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 3bad h LYS 100 CO 0.91 0.26 0.69 -0.22 -2.27 0.00 0.00 179.45 178.81 3bad h LYS 101 N -0.65 0.18 -0.13 1.90 3.64 -1.79 0.15 116.57 119.87 3bad h LYS 101 Ca -0.02 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 3bad h LYS 101 Cb 0.49 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3bad h LYS 101 CO 0.03 0.12 -0.27 0.72 -2.27 0.00 0.00 179.45 177.78 3bad n HIS 102 N -4.39 0.41 -0.25 1.91 8.25 -1.17 -4.77 115.22 115.21 3bad n HIS 102 Ca 0.22 -1.43 0.04 0.00 -0.26 0.00 0.00 57.72 56.29 3bad n HIS 102 Cb 0.95 -0.32 0.18 0.00 1.12 0.00 0.00 29.99 31.92 3bad n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bad h ALA 103 N 0.92 1.02 -0.89 -1.41 0.00 0.18 0.27 119.26 119.34 3bad h ALA 103 Ca 0.07 0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.31 3bad h ALA 103 Cb 1.24 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3bad h ALA 103 CO 0.14 -0.21 0.60 1.49 0.00 0.00 0.00 179.25 181.27 3bad h GLU 104 N 0.43 0.27 -0.01 0.00 4.81 -1.85 -0.68 114.58 117.54 3bad h GLU 104 Ca 0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3bad h GLU 104 Cb 0.60 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3bad h GLU 104 CO -0.40 0.18 -0.25 1.63 -0.73 0.00 0.00 179.01 179.44 3bad n LYS 105 N -4.44 1.15 -3.44 1.92 5.02 0.06 -4.98 118.16 113.44 3bad n LYS 105 Ca 0.19 -0.77 -0.17 0.00 -2.02 0.00 0.00 58.31 55.54 3bad n LYS 105 Cb 0.77 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 34.38 3bad n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3bad n ASN 106 N -0.26 -2.61 -4.49 4.39 5.03 -0.26 -4.95 115.26 112.11 3bad n ASN 106 Ca 0.13 -0.66 -0.43 0.00 0.87 0.00 0.00 54.58 54.49 3bad n ASN 106 Cb 0.39 -5.01 -0.05 0.00 -1.02 0.00 0.00 39.78 34.09 3bad n ASN 106 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3bad s TRP 107 N -3.40 2.83 0.40 3.10 0.52 -1.25 -4.71 118.94 116.43 3bad s TRP 107 Ca 0.07 -0.25 -0.05 0.00 0.02 0.00 0.00 56.10 55.89 3bad s TRP 107 Cb -0.01 -3.99 -0.04 0.00 -1.15 0.00 0.00 33.47 28.27 3bad s TRP 107 CO 0.74 -1.34 0.69 -0.06 0.02 0.00 0.00 176.95 177.00 3bad s PHE 108 N 3.66 3.52 0.13 -1.98 0.08 -1.26 -1.18 117.98 120.94 3bad s PHE 108 Ca 0.25 0.73 -0.26 0.00 0.12 0.00 0.00 56.93 57.76 3bad s PHE 108 Cb -0.15 -2.20 -0.07 0.00 -0.57 0.00 0.00 43.02 40.03 3bad s PHE 108 CO 0.16 -0.07 0.82 0.08 -0.10 0.00 0.00 175.22 176.11 3bad s VAL 109 N -2.45 4.45 -0.05 -0.44 1.01 -0.50 -4.60 120.40 117.81 3bad s VAL 109 Ca 0.46 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.93 3bad s VAL 109 Cb -0.10 -4.18 0.09 0.00 0.00 0.00 0.00 36.38 32.18 3bad s VAL 109 CO 0.37 0.45 0.77 -0.83 0.00 0.00 0.00 175.10 175.86 3bad s GLY 110 N -0.69 -0.50 -0.09 4.51 0.00 -1.26 -4.30 107.32 105.00 3bad s GLY 110 Ca 0.39 1.40 0.04 0.00 0.00 0.00 0.00 44.72 46.55 3bad s GLY 110 CO 0.27 0.86 -0.22 1.08 0.00 0.00 0.00 173.10 175.09 3bad s LEU 111 N -1.41 2.01 1.02 0.66 1.43 -0.35 -1.09 118.68 120.96 3bad s LEU 111 Ca -0.06 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.38 3bad s LEU 111 Cb -0.00 -1.29 0.20 0.00 0.03 0.00 0.00 46.19 45.13 3bad s LEU 111 CO 0.04 0.14 1.15 -0.54 0.23 0.00 0.00 176.35 177.37 3bad s LYS 112 N 0.34 0.21 0.51 1.70 1.02 0.10 -4.47 119.74 119.15 3bad s LYS 112 Ca -0.16 0.13 0.17 0.00 0.02 0.00 0.00 55.97 56.12 3bad s LYS 112 Cb -0.17 -1.75 1.25 0.00 -0.52 0.00 0.00 37.83 36.64 3bad s LYS 112 CO 0.07 -2.79 2.12 0.87 -0.92 0.00 0.00 175.35 174.70 3bad h LYS 113 N -1.93 0.00 -0.01 1.68 1.79 -1.91 -0.65 116.57 115.54 3bad h LYS 113 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 3bad h LYS 113 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3bad h LYS 113 CO 0.50 0.04 0.00 0.27 -1.08 0.00 0.00 179.45 179.18 3bad n ASN 114 N -4.44 0.66 0.00 0.86 0.23 -1.26 -4.67 115.26 106.64 3bad n ASN 114 Ca -0.03 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 3bad n ASN 114 Cb 0.13 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3bad n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3bad n GLY 115 N 1.07 0.78 3.89 4.83 0.00 -0.25 -4.96 105.19 110.56 3bad n GLY 115 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3bad n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bad s SER 116 N -2.83 6.11 0.21 1.61 1.04 -1.26 0.17 113.70 118.76 3bad s SER 116 Ca 0.00 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.47 3bad s SER 116 Cb 0.00 -2.27 -0.07 0.00 0.10 0.00 0.00 66.02 63.78 3bad s SER 116 CO 0.00 -0.82 0.56 0.00 0.98 0.00 0.00 173.24 173.96 3bad s LYS 118 N -2.61 3.72 0.03 0.00 1.02 -0.25 -4.82 119.74 116.84 3bad s LYS 118 Ca 0.45 0.23 -0.20 0.00 0.02 0.00 0.00 55.97 56.47 3bad s LYS 118 Cb -0.12 -2.55 -0.06 0.00 -0.52 0.00 0.00 37.83 34.58 3bad s LYS 118 CO 0.20 0.14 0.57 1.03 -0.92 0.00 0.00 175.35 176.37 3bad s ARG 119 N -3.54 4.25 0.07 1.68 0.52 -1.26 -4.69 118.95 115.98 3bad s ARG 119 Ca 0.47 0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 56.27 3bad s ARG 119 Cb -0.11 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3bad s ARG 119 CO 0.29 0.51 0.74 0.41 0.02 0.00 0.00 175.30 177.26 3bad n GLY 120 N 2.08 -1.33 0.00 -3.53 0.00 0.06 0.10 105.19 102.57 3bad n GLY 120 Ca -0.09 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.55 3bad n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bad n PRO 121 N -4.37 0.08 0.00 1.61 -0.04 -1.26 -1.72 135.00 129.30 3bad n PRO 121 Ca 0.01 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.84 3bad n PRO 121 Cb 0.11 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.54 3bad n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3bad n ARG 122 N -1.40 1.45 -4.13 0.54 5.12 0.28 -4.89 116.66 113.63 3bad n ARG 122 Ca 0.04 -0.86 -0.25 0.00 -1.93 0.00 0.00 57.85 54.85 3bad n ARG 122 Cb 0.12 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 3bad n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3bad s THR 123 N -2.14 4.25 -0.13 0.55 -4.23 -0.70 -4.91 115.64 108.32 3bad s THR 123 Ca 0.34 -1.32 -0.30 0.00 -1.18 0.00 0.00 61.69 59.22 3bad s THR 123 Cb 0.20 -3.21 0.11 0.00 1.34 0.00 0.00 72.50 70.94 3bad s THR 123 CO 0.39 -0.21 0.90 -1.38 -0.54 0.00 0.00 174.62 173.78 3bad s HIS 124 N -1.93 -0.46 -0.40 3.99 -3.43 -1.26 -4.80 115.29 107.00 3bad s HIS 124 Ca 0.31 0.81 -0.27 0.00 -0.80 0.00 0.00 55.06 55.11 3bad s HIS 124 Cb -0.09 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.44 3bad s HIS 124 CO 0.23 -0.41 2.21 -0.47 -2.00 0.00 0.00 174.74 174.29 3bad s TYR 125 N -1.06 1.26 0.00 0.38 6.14 -1.26 -2.69 117.35 120.13 3bad s TYR 125 Ca -0.04 1.04 0.00 0.00 0.64 0.00 0.00 57.07 58.71 3bad s TYR 125 Cb -0.01 -3.82 0.00 0.00 0.42 0.00 0.00 41.96 38.56 3bad s TYR 125 CO 0.04 -3.04 0.00 0.41 0.64 0.00 0.00 175.55 173.60 3bad n GLY 126 N 5.82 0.40 3.87 8.97 0.00 -1.26 -5.14 105.19 117.85 3bad n GLY 126 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 3bad n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bad s GLN 127 N 0.00 3.64 0.30 1.61 -0.21 -1.09 -4.96 119.66 118.93 3bad s GLN 127 Ca 0.00 0.74 0.23 0.00 0.02 0.00 0.00 55.36 56.35 3bad s GLN 127 Cb 0.00 -2.11 0.28 0.00 1.00 0.00 0.00 33.01 32.18 3bad s GLN 127 CO 0.00 -0.51 1.40 0.87 -2.12 0.00 0.00 175.29 174.93 3bad h LYS 128 N -0.14 0.00 0.00 2.91 1.57 -1.96 -3.33 116.57 115.61 3bad h LYS 128 Ca -0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 3bad h LYS 128 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3bad h LYS 128 CO 0.62 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 179.48 3bad h ALA 129 N 2.12 1.44 -0.02 3.86 0.00 -1.93 -2.51 119.26 122.22 3bad h ALA 129 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bad h ALA 129 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3bad h ALA 129 CO 0.00 0.03 -0.21 0.44 0.00 0.00 0.00 179.25 179.51 3bad n ILE 130 N -3.76 0.00 -3.20 0.00 -5.35 -1.25 -1.21 119.36 104.59 3bad n ILE 130 Ca -0.03 -0.25 -0.41 0.00 -0.27 0.00 0.00 62.75 61.79 3bad n ILE 130 Cb 0.11 0.83 -0.07 0.00 -1.74 0.00 0.00 39.64 38.77 3bad n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bad s LEU 131 N -2.29 4.19 0.01 7.28 1.43 -0.95 -4.41 118.68 123.94 3bad s LEU 131 Ca 0.27 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.73 3bad s LEU 131 Cb 0.19 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.71 3bad s LEU 131 CO 0.45 -0.42 -0.25 -0.36 0.23 0.00 0.00 176.35 176.00 3bad s PHE 132 N 2.44 2.36 -0.35 0.29 0.40 0.34 -2.31 117.98 121.14 3bad s PHE 132 Ca 0.21 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 56.07 3bad s PHE 132 Cb -0.15 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.96 3bad s PHE 132 CO 0.12 0.06 0.13 -1.17 0.70 0.00 0.00 175.22 175.05 3bad s LEU 133 N -0.93 4.44 0.12 -0.37 2.96 0.50 -0.12 118.68 125.27 3bad s LEU 133 Ca 0.11 -1.19 -0.31 0.00 -0.22 0.00 0.00 54.13 52.52 3bad s LEU 133 Cb -0.10 -1.89 -0.07 0.00 0.50 0.00 0.00 46.19 44.63 3bad s LEU 133 CO 0.01 -0.35 1.29 -2.84 -1.32 0.00 0.00 176.35 173.13 3bad s PRO 134 N 1.40 4.39 -0.04 0.98 0.02 -1.26 -1.57 135.00 138.92 3bad s PRO 134 Ca -0.01 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.01 3bad s PRO 134 Cb -0.20 -3.27 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 3bad s PRO 134 CO 0.03 -0.31 -0.22 -0.51 -0.33 0.00 0.00 177.00 175.66 3bad s LEU 135 N 0.77 2.01 0.62 -5.54 1.43 0.15 -4.90 118.68 113.22 3bad s LEU 135 Ca 0.60 -0.42 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 3bad s LEU 135 Cb -0.34 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3bad s LEU 135 CO 0.32 0.22 1.31 -2.84 0.23 0.00 0.00 176.35 175.59 3bad s PRO 136 N -0.21 2.74 0.10 1.29 0.02 -1.26 -0.46 135.00 137.22 3bad s PRO 136 Ca 0.00 2.11 0.22 0.00 0.02 0.00 0.00 61.00 63.36 3bad s PRO 136 Cb -0.11 -1.97 -0.12 0.00 0.02 0.00 0.00 34.50 32.32 3bad s PRO 136 CO 0.02 -1.47 0.84 0.28 -0.33 0.00 0.00 177.00 176.34 3bad n VAL 137 N -1.64 0.35 -1.50 3.83 0.31 -1.24 -4.74 118.33 113.70 3bad n VAL 137 Ca 0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3bad n VAL 137 Cb 0.47 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 3bad n VAL 137 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97