#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s99 s ILE 10 N 0.00 4.71 0.23 5.15 1.01 -1.26 -4.88 121.20 126.16 1s99 s ILE 10 Ca 0.00 1.73 -0.08 0.00 0.00 0.00 0.00 60.65 62.29 1s99 s ILE 10 Cb 0.00 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1s99 s ILE 10 CO 0.00 0.34 0.53 0.00 0.00 0.00 0.00 174.94 175.81 1s99 s ALA 11 N 0.04 3.60 0.09 9.38 0.00 -0.11 -4.26 121.76 130.50 1s99 s ALA 11 Ca 0.41 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1s99 s ALA 11 Cb -0.21 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1s99 s ALA 11 CO 0.24 0.48 -0.02 0.20 0.00 0.00 0.00 175.76 176.67 1s99 s GLY 12 N -2.49 0.72 -0.16 0.00 0.00 0.38 -1.61 107.32 104.17 1s99 s GLY 12 Ca 0.46 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 1s99 s GLY 12 CO 0.23 -1.38 0.15 -0.12 0.00 0.00 0.00 173.10 171.98 1s99 s PHE 13 N -3.85 -0.07 -0.27 1.90 5.36 0.12 -1.20 117.98 119.97 1s99 s PHE 13 Ca 0.13 0.12 -0.12 0.00 -0.96 0.00 0.00 56.93 56.10 1s99 s PHE 13 Cb 0.07 -0.46 -0.05 0.00 -0.34 0.00 0.00 43.02 42.24 1s99 s PHE 13 CO -0.05 -0.48 0.26 0.50 -1.46 0.00 0.00 175.22 173.99 1s99 s ARG 14 N 2.24 4.00 0.08 10.12 3.52 -0.56 -0.96 118.95 137.39 1s99 s ARG 14 Ca 0.04 -0.17 -0.09 0.00 -0.13 0.00 0.00 55.73 55.38 1s99 s ARG 14 Cb -0.15 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1s99 s ARG 14 CO -0.09 -0.17 0.20 -0.59 -0.81 0.00 0.00 175.30 173.84 1s99 s PHE 15 N 1.74 0.12 0.10 5.12 -0.12 0.26 -0.83 117.98 124.37 1s99 s PHE 15 Ca 0.10 -0.51 0.09 0.00 -0.05 0.00 0.00 56.93 56.57 1s99 s PHE 15 Cb -0.16 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 1s99 s PHE 15 CO 0.10 -0.53 -0.23 -1.12 -0.05 0.00 0.00 175.22 173.39 1s99 s SER 16 N -2.71 2.78 -0.15 1.98 0.01 -0.21 -0.89 113.70 114.51 1s99 s SER 16 Ca 0.03 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1s99 s SER 16 Cb 0.04 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 1s99 s SER 16 CO -0.10 0.11 -0.17 -0.76 0.41 0.00 0.00 173.24 172.74 1s99 s LEU 17 N -1.85 2.40 -0.36 2.44 1.43 -1.26 -1.53 118.68 119.94 1s99 s LEU 17 Ca 0.09 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1s99 s LEU 17 Cb -0.10 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.69 1s99 s LEU 17 CO 0.04 0.09 0.07 -0.31 0.23 0.00 0.00 176.35 176.48 1s99 s TYR 18 N 0.77 3.71 0.00 0.29 1.51 0.18 -4.97 117.35 118.85 1s99 s TYR 18 Ca -0.07 -3.01 0.00 0.00 -1.01 0.00 0.00 57.07 52.98 1s99 s TYR 18 Cb -0.15 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 1s99 s TYR 18 CO 0.00 -0.93 0.00 -2.30 -1.11 0.00 0.00 175.55 171.21 1s99 n PRO 19 N 4.15 2.68 0.00 -1.71 -0.02 -1.26 -1.50 135.00 137.35 1s99 n PRO 19 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1s99 n PRO 19 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 1s99 n PRO 19 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1s99 n THR 21 N 0.00 -0.32 -0.07 3.45 5.66 -1.26 -4.65 114.28 117.09 1s99 n THR 21 Ca 0.00 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.19 1s99 n THR 21 Cb 0.00 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.41 1s99 n THR 21 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1s99 h ASP 22 N 0.00 0.13 -0.17 1.09 5.19 -2.06 -2.52 116.42 118.08 1s99 h ASP 22 Ca 0.00 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 1s99 h ASP 22 Cb 0.00 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1s99 h ASP 22 CO 0.00 0.07 0.05 -0.67 -3.12 0.00 0.00 179.24 175.57 1s99 n ASP 23 N -4.40 2.46 -0.18 6.45 2.03 -1.26 -4.58 116.55 117.07 1s99 n ASP 23 Ca 0.12 -2.27 0.03 0.00 0.52 0.00 0.00 54.79 53.20 1s99 n ASP 23 Cb 0.61 -0.56 0.31 0.00 -0.72 0.00 0.00 41.12 40.77 1s99 n ASP 23 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1s99 h PHE 24 N 0.70 0.82 -0.24 -0.67 -5.15 -1.71 -2.41 116.94 108.27 1s99 h PHE 24 Ca 0.05 0.02 0.01 0.00 -0.20 0.00 0.00 57.97 57.85 1s99 h PHE 24 Cb 1.04 -0.27 -0.02 0.00 0.22 0.00 0.00 35.95 36.92 1s99 h PHE 24 CO 0.29 0.48 0.13 0.82 -2.00 0.00 0.00 178.31 178.03 1s99 h ILE 25 N 0.85 1.00 -0.59 0.88 2.04 -1.89 -2.18 117.51 117.63 1s99 h ILE 25 Ca 0.28 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 1s99 h ILE 25 Cb 0.05 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1s99 h ILE 25 CO -0.08 0.05 -0.04 -1.28 0.00 0.00 0.00 178.15 176.81 1s99 h SER 26 N 0.27 1.05 -0.51 1.72 0.87 -1.85 -1.93 113.55 113.16 1s99 h SER 26 Ca 0.10 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1s99 h SER 26 Cb 0.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1s99 h SER 26 CO -0.06 1.12 0.31 0.58 -0.53 0.00 0.00 176.83 178.25 1s99 h VAL 27 N 0.96 1.16 -0.19 2.23 2.07 -1.21 0.13 116.25 121.40 1s99 h VAL 27 Ca 0.16 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 1s99 h VAL 27 Cb 0.60 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1s99 h VAL 27 CO 0.04 0.16 -0.06 0.40 0.02 0.00 0.00 177.57 178.13 1s99 h ILE 28 N 0.69 1.30 -0.54 4.57 2.04 -1.25 -1.99 117.51 122.33 1s99 h ILE 28 Ca 0.18 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1s99 h ILE 28 Cb -0.00 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1s99 h ILE 28 CO -0.03 0.32 0.29 0.50 0.00 0.00 0.00 178.15 179.23 1s99 h LYS 29 N 0.08 0.55 -0.59 2.37 3.64 -1.19 -2.11 116.57 119.33 1s99 h LYS 29 Ca 0.05 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1s99 h LYS 29 Cb 0.52 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1s99 h LYS 29 CO 0.02 0.37 0.15 1.03 -2.27 0.00 0.00 179.45 178.75 1s99 h SER 30 N 0.57 0.89 -0.57 4.20 0.87 -0.90 -1.53 113.55 117.08 1s99 h SER 30 Ca 0.23 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1s99 h SER 30 Cb 0.11 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1s99 h SER 30 CO -0.14 0.89 -0.07 0.00 -0.53 0.00 0.00 176.83 176.98 1s99 h ALA 31 N 1.04 0.78 -0.37 6.23 0.00 -0.90 -0.22 119.26 125.82 1s99 h ALA 31 Ca 0.19 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1s99 h ALA 31 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1s99 h ALA 31 CO 0.00 0.67 -0.13 -0.07 0.00 0.00 0.00 179.25 179.72 1s99 h LEU 32 N 0.95 0.76 -0.78 0.00 3.38 -1.31 -3.12 115.31 115.19 1s99 h LEU 32 Ca 0.15 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1s99 h LEU 32 Cb 0.64 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1s99 h LEU 32 CO 0.04 0.97 -0.39 0.00 0.09 0.00 0.00 178.44 179.16 1s99 h ALA 33 N 0.81 0.95 0.00 1.53 0.00 -1.07 -3.06 119.26 118.42 1s99 h ALA 33 Ca 0.09 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1s99 h ALA 33 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1s99 h ALA 33 CO 0.05 0.62 -0.43 0.00 0.00 0.00 0.00 179.25 179.49 1s99 h ALA 34 N 1.20 1.07 -2.58 0.00 0.00 -1.06 -3.44 119.26 114.45 1s99 h ALA 34 Ca 0.04 -0.39 -0.48 0.00 0.00 0.00 0.00 54.91 54.07 1s99 h ALA 34 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1s99 h ALA 34 CO 0.07 0.53 0.40 0.99 0.00 0.00 0.00 179.25 181.25 1s99 s THR 35 N -3.73 3.83 -0.61 0.00 2.01 -1.16 -4.98 115.64 110.99 1s99 s THR 35 Ca -0.01 1.56 -0.27 0.00 0.31 0.00 0.00 61.69 63.27 1s99 s THR 35 Cb 0.12 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.76 1s99 s THR 35 CO 0.71 0.16 1.42 -0.62 -0.69 0.00 0.00 174.62 175.60 1s99 s ASP 36 N -1.40 6.05 -0.21 3.53 -1.08 -1.26 -4.85 116.67 117.45 1s99 s ASP 36 Ca 0.51 0.09 0.15 0.00 -0.52 0.00 0.00 52.55 52.78 1s99 s ASP 36 Cb -0.24 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.44 1s99 s ASP 36 CO 0.30 -1.81 1.68 0.35 0.52 0.00 0.00 175.17 176.21 1s99 n THR 37 N 6.76 2.59 0.28 1.71 -2.24 -1.26 -4.64 114.28 117.48 1s99 n THR 37 Ca 0.11 -1.47 0.16 0.00 -2.27 0.00 0.00 64.05 60.58 1s99 n THR 37 Cb 0.49 -0.23 0.58 0.00 -2.10 0.00 0.00 70.33 69.07 1s99 n THR 37 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s99 h SER 38 N 3.63 0.00 -0.37 3.42 4.64 -2.01 -3.14 113.55 119.72 1s99 h SER 38 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s99 h SER 38 Cb 1.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1s99 h SER 38 CO 0.42 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 1s99 n LYS 39 N -3.04 2.38 -4.79 4.77 4.76 -1.26 -4.95 118.16 116.03 1s99 n LYS 39 Ca 0.01 -2.06 -0.26 0.00 -2.87 0.00 0.00 58.31 53.13 1s99 n LYS 39 Cb 0.35 -1.36 -0.15 0.00 -1.84 0.00 0.00 35.03 32.03 1s99 n LYS 39 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1s99 s VAL 40 N -1.09 1.65 0.11 -0.18 -7.23 -1.19 -4.72 120.40 107.76 1s99 s VAL 40 Ca 0.29 -1.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.10 1s99 s VAL 40 Cb 0.16 -1.41 -0.06 0.00 0.56 0.00 0.00 36.38 35.63 1s99 s VAL 40 CO 0.22 0.31 0.93 0.86 -0.31 0.00 0.00 175.10 177.10 1s99 s TRP 41 N -0.67 3.82 0.09 2.82 -0.00 -0.14 -4.87 118.94 119.99 1s99 s TRP 41 Ca 0.08 1.76 0.06 0.00 -0.00 0.00 0.00 56.10 57.99 1s99 s TRP 41 Cb -0.08 -3.01 -0.03 0.00 -0.00 0.00 0.00 33.47 30.34 1s99 s TRP 41 CO 0.01 0.24 -0.15 0.95 -0.00 0.00 0.00 176.95 178.00 1s99 s THR 42 N -0.12 1.24 -0.14 5.86 -4.23 -1.26 -0.79 115.64 116.20 1s99 s THR 42 Ca 0.45 -1.49 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1s99 s THR 42 Cb -0.23 -1.30 0.06 0.00 1.34 0.00 0.00 72.50 72.37 1s99 s THR 42 CO 0.29 -0.29 0.32 -0.75 -0.54 0.00 0.00 174.62 173.65 1s99 s LYS 43 N -2.13 0.26 -0.07 3.99 2.20 -0.84 -4.99 119.74 118.16 1s99 s LYS 43 Ca 0.03 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.41 1s99 s LYS 43 Cb -0.08 -0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.22 1s99 s LYS 43 CO 0.03 -0.20 -0.18 0.99 -0.36 0.00 0.00 175.35 175.62 1s99 s THR 44 N 1.76 2.66 0.16 3.43 2.01 -1.26 -1.05 115.64 123.35 1s99 s THR 44 Ca -0.06 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.10 1s99 s THR 44 Cb -0.10 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.37 1s99 s THR 44 CO -0.10 0.57 0.04 -0.90 -0.69 0.00 0.00 174.62 173.54 1s99 n ASP 45 N 2.83 1.39 0.00 3.53 5.68 0.06 -5.00 116.55 125.03 1s99 n ASP 45 Ca -0.17 -1.81 0.12 0.00 -0.50 0.00 0.00 54.79 52.42 1s99 n ASP 45 Cb 0.52 0.32 0.52 0.00 -1.14 0.00 0.00 41.12 41.35 1s99 n ASP 45 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1s99 n HIS 46 N -0.37 0.00 -0.11 2.11 1.44 -1.26 -3.61 115.22 113.42 1s99 n HIS 46 Ca -0.03 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.48 1s99 n HIS 46 Cb 0.23 -0.47 -0.09 0.00 0.12 0.00 0.00 29.99 29.79 1s99 n HIS 46 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1s99 n ILE 47 N -1.47 1.21 -4.01 0.61 5.41 -1.26 -5.10 119.36 114.76 1s99 n ILE 47 Ca 0.07 -0.37 -0.10 0.00 1.00 0.00 0.00 62.75 63.34 1s99 n ILE 47 Cb 0.26 -1.57 -0.04 0.00 -0.71 0.00 0.00 39.64 37.58 1s99 n ILE 47 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1s99 s SER 48 N -6.60 0.15 0.03 4.38 1.04 -1.24 -4.67 113.70 106.80 1s99 s SER 48 Ca -0.30 -1.09 0.09 0.00 0.48 0.00 0.00 55.95 55.13 1s99 s SER 48 Cb 0.10 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.81 1s99 s SER 48 CO 0.43 -1.22 -0.26 -0.89 0.98 0.00 0.00 173.24 172.29 1s99 s THR 49 N -3.66 2.18 -0.08 2.02 2.01 -0.07 -0.76 115.64 117.29 1s99 s THR 49 Ca 0.24 -1.32 0.04 0.00 0.31 0.00 0.00 61.69 60.95 1s99 s THR 49 Cb -0.01 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1s99 s THR 49 CO 0.12 0.40 -0.19 0.54 -0.69 0.00 0.00 174.62 174.80 1s99 s VAL 50 N -0.78 2.59 -0.07 3.82 0.11 -0.22 -0.57 120.40 125.28 1s99 s VAL 50 Ca 0.12 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1s99 s VAL 50 Cb -0.10 -2.01 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 1s99 s VAL 50 CO 0.02 0.56 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.52 1s99 s LEU 51 N -0.15 3.15 0.00 2.54 1.43 -0.13 -1.98 118.68 123.54 1s99 s LEU 51 Ca -0.02 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1s99 s LEU 51 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1s99 s LEU 51 CO 0.04 0.36 -0.05 -0.13 0.23 0.00 0.00 176.35 176.80 1s99 s ARG 52 N -0.82 0.38 0.00 1.70 0.52 0.03 -0.70 118.95 120.06 1s99 s ARG 52 Ca 0.12 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 1s99 s ARG 52 Cb -0.11 -0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1s99 s ARG 52 CO 0.02 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1s99 n GLY 53 N 2.71 -0.56 3.78 -3.53 0.00 -0.63 -0.96 105.19 106.00 1s99 n GLY 53 Ca -0.14 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1s99 n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s99 s SER 54 N -4.00 5.26 0.24 1.61 1.04 -1.26 -0.94 113.70 115.66 1s99 s SER 54 Ca 0.00 1.93 -0.06 0.00 0.48 0.00 0.00 55.95 58.30 1s99 s SER 54 Cb 0.00 -2.54 0.44 0.00 0.10 0.00 0.00 66.02 64.02 1s99 s SER 54 CO 0.00 -1.52 1.66 0.40 0.98 0.00 0.00 173.24 174.76 1s99 h ILE 55 N 0.06 0.43 -0.25 -1.02 2.04 -1.90 0.12 117.51 117.00 1s99 h ILE 55 Ca -0.47 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1s99 h ILE 55 Cb 1.24 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1s99 h ILE 55 CO 0.55 0.03 0.16 0.44 0.00 0.00 0.00 178.15 179.33 1s99 h ASP 56 N 0.18 0.29 -0.02 1.72 3.45 -1.97 -1.78 116.42 118.29 1s99 h ASP 56 Ca 0.41 -0.01 -0.20 0.00 0.43 0.00 0.00 57.03 57.65 1s99 h ASP 56 Cb 0.71 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1s99 h ASP 56 CO -0.58 0.22 -0.71 0.45 -1.57 0.00 0.00 179.24 177.05 1s99 h HIS 57 N 0.34 0.87 -0.29 4.55 3.86 -1.78 -0.64 115.15 122.05 1s99 h HIS 57 Ca 0.09 -0.37 -0.03 0.00 -1.16 0.00 0.00 60.37 58.91 1s99 h HIS 57 Cb -0.03 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1s99 h HIS 57 CO -0.06 1.16 0.08 0.28 0.86 0.00 0.00 177.93 180.26 1s99 h VAL 58 N 0.46 1.21 -0.26 2.45 2.07 -0.65 -1.20 116.25 120.33 1s99 h VAL 58 Ca -0.03 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 1s99 h VAL 58 Cb 1.31 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1s99 h VAL 58 CO 0.14 0.22 -0.36 -0.26 0.02 0.00 0.00 177.57 177.33 1s99 h PHE 59 N 0.30 0.67 -0.37 1.57 -1.00 -1.31 -0.70 116.94 116.10 1s99 h PHE 59 Ca 0.09 -0.18 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 1s99 h PHE 59 Cb 0.26 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1s99 h PHE 59 CO 0.01 0.85 0.20 0.22 -1.61 0.00 0.00 178.31 177.98 1s99 h ASP 60 N 0.48 0.46 -0.27 2.17 3.58 -1.04 -1.75 116.42 120.05 1s99 h ASP 60 Ca 0.05 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1s99 h ASP 60 Cb 0.84 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1s99 h ASP 60 CO 0.07 0.42 0.06 0.00 -2.88 0.00 0.00 179.24 176.91 1s99 h ALA 61 N 1.06 0.35 -0.31 -0.78 0.00 -1.07 -2.52 119.26 116.00 1s99 h ALA 61 Ca 0.13 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1s99 h ALA 61 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1s99 h ALA 61 CO -0.02 0.02 0.09 0.00 0.00 0.00 0.00 179.25 179.34 1s99 h ALA 62 N 0.88 0.34 -0.62 0.00 0.00 -1.05 -1.37 119.26 117.45 1s99 h ALA 62 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1s99 h ALA 62 Cb 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1s99 h ALA 62 CO 0.00 -0.32 0.36 -0.22 0.00 0.00 0.00 179.25 179.08 1s99 h LYS 63 N 0.21 0.85 -0.44 0.00 3.64 -1.30 -1.92 116.57 117.61 1s99 h LYS 63 Ca 0.14 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1s99 h LYS 63 Cb 0.13 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1s99 h LYS 63 CO -0.16 0.62 0.17 0.00 -2.27 0.00 0.00 179.45 177.80 1s99 h ALA 64 N 1.18 0.57 -0.56 5.00 0.00 -1.18 -0.10 119.26 124.17 1s99 h ALA 64 Ca 0.22 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1s99 h ALA 64 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1s99 h ALA 64 CO -0.04 0.19 0.32 0.82 0.00 0.00 0.00 179.25 180.54 1s99 h ILE 65 N 0.57 1.02 0.21 0.00 2.04 -1.13 0.12 117.51 120.33 1s99 h ILE 65 Ca 0.15 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1s99 h ILE 65 Cb 0.21 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1s99 h ILE 65 CO -0.01 0.11 -0.10 0.22 0.00 0.00 0.00 178.15 178.37 1s99 h TYR 66 N 0.62 -0.26 -0.39 1.37 3.20 -1.00 -1.15 116.97 119.37 1s99 h TYR 66 Ca 0.24 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.16 1s99 h TYR 66 Cb 0.08 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 1s99 h TYR 66 CO -0.07 -0.10 0.09 -0.07 -1.64 0.00 0.00 178.16 176.36 1s99 h LEU 67 N -0.35 0.03 -0.56 2.82 3.38 -0.75 -0.65 115.31 119.22 1s99 h LEU 67 Ca -0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1s99 h LEU 67 Cb 0.27 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1s99 h LEU 67 CO 0.05 0.05 0.26 0.45 0.09 0.00 0.00 178.44 179.34 1s99 h HIS 68 N 0.22 0.82 -0.61 1.13 3.86 -0.69 -2.26 115.15 117.62 1s99 h HIS 68 Ca 0.19 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1s99 h HIS 68 Cb 0.21 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1s99 h HIS 68 CO -0.19 0.64 0.32 0.00 0.86 0.00 0.00 177.93 179.56 1s99 h ALA 69 N 1.10 0.78 -0.12 2.45 0.00 -0.86 -2.73 119.26 119.87 1s99 h ALA 69 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1s99 h ALA 69 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1s99 h ALA 69 CO -0.02 0.31 -0.26 0.00 0.00 0.00 0.00 179.25 179.27 1s99 h ALA 70 N 1.15 1.34 -0.03 0.00 0.00 -1.04 -2.31 119.26 118.38 1s99 h ALA 70 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s99 h ALA 70 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s99 h ALA 70 CO -0.03 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.76 1s99 n ASN 71 N -4.16 0.41 0.12 0.00 3.02 -0.86 -1.71 115.26 112.08 1s99 n ASN 71 Ca -0.01 -1.34 0.11 0.00 -0.03 0.00 0.00 54.58 53.30 1s99 n ASN 71 Cb 0.36 -0.02 0.48 0.00 -0.61 0.00 0.00 39.78 39.99 1s99 n ASN 71 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1s99 n SER 72 N -0.58 0.57 0.00 6.41 3.41 -0.87 -4.90 113.62 117.66 1s99 n SER 72 Ca 0.18 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1s99 n SER 72 Cb 0.15 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1s99 n SER 72 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s99 n GLU 73 N -2.15 -0.34 -2.57 4.33 -0.58 -0.70 -5.01 120.64 113.63 1s99 n GLU 73 Ca 0.02 0.09 -0.28 0.00 -0.42 0.00 0.00 57.16 56.56 1s99 n GLU 73 Cb 0.19 -3.91 -0.00 0.00 -0.57 0.00 0.00 31.44 27.15 1s99 n GLU 73 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1s99 s GLN 74 N -0.81 3.56 -0.15 3.49 -1.52 -1.26 -5.01 119.66 117.96 1s99 s GLN 74 Ca 0.00 0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.38 1s99 s GLN 74 Cb 0.00 -2.35 -0.02 0.00 -0.22 0.00 0.00 33.01 30.42 1s99 s GLN 74 CO 0.00 -0.23 1.36 -1.58 -0.25 0.00 0.00 175.29 174.58 1s99 s HIS 75 N -2.77 2.63 0.03 0.91 5.65 -1.26 -4.65 115.29 115.84 1s99 s HIS 75 Ca 0.48 0.82 0.02 0.00 0.25 0.00 0.00 55.06 56.63 1s99 s HIS 75 Cb -0.10 -3.63 -0.02 0.00 -1.18 0.00 0.00 32.58 27.65 1s99 s HIS 75 CO 0.45 -2.19 -0.08 0.96 -0.65 0.00 0.00 174.74 173.24 1s99 s ILE 76 N 3.72 0.57 0.00 0.89 -5.25 -0.99 -4.51 121.20 115.63 1s99 s ILE 76 Ca 0.59 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 59.37 1s99 s ILE 76 Cb -0.24 -0.59 0.00 0.00 2.95 0.00 0.00 42.46 44.58 1s99 s ILE 76 CO 0.19 -0.23 0.00 0.52 -1.79 0.00 0.00 174.94 173.62 1s99 n VAL 77 N 1.84 0.00 0.00 8.37 0.31 -0.56 -1.06 118.33 127.23 1s99 n VAL 77 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1s99 n VAL 77 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1s99 n VAL 77 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1s99 n ASN 79 N 0.00 0.00 -3.39 4.52 4.05 -0.58 -0.65 115.26 119.21 1s99 n ASN 79 Ca 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 1s99 n ASN 79 Cb 0.00 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.02 1s99 n ASN 79 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1s99 s GLY 80 N 0.00 0.08 -0.12 8.20 0.00 -0.50 -1.04 107.32 113.94 1s99 s GLY 80 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.43 1s99 s GLY 80 CO 0.00 2.00 -0.08 -1.59 0.00 0.00 0.00 173.10 173.43 1s99 s THR 81 N -2.31 1.10 0.27 0.90 2.01 -0.01 -0.94 115.64 116.66 1s99 s THR 81 Ca 0.20 -0.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 1s99 s THR 81 Cb -0.02 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.28 1s99 s THR 81 CO 0.05 0.36 0.87 -0.36 -0.69 0.00 0.00 174.62 174.85 1s99 s PHE 82 N 1.68 3.74 -0.08 4.92 0.40 -1.26 -1.50 117.98 125.88 1s99 s PHE 82 Ca 0.05 1.69 -0.08 0.00 -0.60 0.00 0.00 56.93 57.99 1s99 s PHE 82 Cb -0.13 -2.84 0.02 0.00 0.51 0.00 0.00 43.02 40.58 1s99 s PHE 82 CO -0.08 0.30 0.22 0.45 0.70 0.00 0.00 175.22 176.81 1s99 s SER 83 N -1.53 -0.22 -0.03 1.36 0.15 -0.34 -4.22 113.70 108.87 1s99 s SER 83 Ca 0.46 0.40 -0.11 0.00 0.70 0.00 0.00 55.95 57.39 1s99 s SER 83 Cb -0.19 0.44 0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1s99 s SER 83 CO 0.24 -0.11 0.25 -0.51 1.20 0.00 0.00 173.24 174.31 1s99 s ILE 84 N -0.03 0.05 0.00 6.45 2.07 -0.71 -0.47 121.20 128.57 1s99 s ILE 84 Ca -0.01 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 58.78 1s99 s ILE 84 Cb -0.02 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1s99 s ILE 84 CO 0.01 -0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.40 1s99 n GLY 85 N 1.67 0.51 3.74 1.50 0.00 -1.26 -1.92 105.19 109.45 1s99 n GLY 85 Ca -0.20 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1s99 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s99 n PRO 87 N 2.57 0.82 -0.78 0.00 -0.02 -1.26 -1.65 135.00 134.68 1s99 n PRO 87 Ca 0.10 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1s99 n PRO 87 Cb 0.37 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1s99 n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s99 n GLY 88 N 3.74 0.82 3.48 -1.23 0.00 -1.26 -5.01 105.19 105.72 1s99 n GLY 88 Ca 0.26 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.77 1s99 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s99 n ASP 89 N 0.00 -0.19 -4.76 1.61 2.03 -0.66 -4.91 116.55 109.67 1s99 n ASP 89 Ca 0.00 1.14 -0.36 0.00 0.52 0.00 0.00 54.79 56.10 1s99 n ASP 89 Cb 0.00 -1.02 0.02 0.00 -0.72 0.00 0.00 41.12 39.40 1s99 n ASP 89 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1s99 s THR 90 N -0.57 2.77 -0.90 5.18 -4.23 -1.26 -4.92 115.64 111.71 1s99 s THR 90 Ca 0.73 0.49 0.27 0.00 -1.18 0.00 0.00 61.69 62.00 1s99 s THR 90 Cb -0.99 -3.20 0.20 0.00 1.34 0.00 0.00 72.50 69.85 1s99 s THR 90 CO 0.56 -0.09 1.76 0.00 -0.54 0.00 0.00 174.62 176.30 1s99 n GLN 91 N -1.43 0.09 -0.32 3.99 6.02 -1.26 -4.89 117.38 119.57 1s99 n GLN 91 Ca 0.13 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1s99 n GLN 91 Cb 0.50 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1s99 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s99 n GLY 92 N 1.44 0.10 3.83 1.08 0.00 -1.26 -4.63 105.19 105.75 1s99 n GLY 92 Ca 0.06 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1s99 n GLY 92 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s99 n ASP 93 N -2.49 -1.83 -3.47 1.61 8.00 -1.26 -4.99 116.55 112.12 1s99 n ASP 93 Ca 0.00 -0.86 -0.14 0.00 0.71 0.00 0.00 54.79 54.50 1s99 n ASP 93 Cb 0.00 -3.73 -0.05 0.00 -0.02 0.00 0.00 41.12 37.31 1s99 n ASP 93 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s99 s THR 94 N -3.64 0.00 -0.05 -3.53 -4.23 -1.26 -4.70 115.64 98.22 1s99 s THR 94 Ca 0.18 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1s99 s THR 94 Cb -0.09 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1s99 s THR 94 CO 0.84 0.00 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.44 1s99 s TYR 95 N -3.35 2.64 0.00 3.99 4.12 -1.26 -4.86 117.35 118.63 1s99 s TYR 95 Ca 0.32 -0.27 0.00 0.00 0.02 0.00 0.00 57.07 57.14 1s99 s TYR 95 Cb 0.01 -1.63 0.00 0.00 -1.52 0.00 0.00 41.96 38.82 1s99 s TYR 95 CO 0.19 0.10 0.56 1.28 0.02 0.00 0.00 175.55 177.69 1s99 n LEU 96 N 2.46 1.49 0.00 -1.29 4.32 -1.26 -4.89 117.00 117.83 1s99 n LEU 96 Ca -0.17 -0.67 0.00 0.00 -0.02 0.00 0.00 56.01 55.15 1s99 n LEU 96 Cb 0.52 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 1s99 n LEU 96 CO 0.25 0.28 0.00 0.47 -1.22 0.00 0.00 177.39 177.17 1s99 n ASP 100 N 1.86 0.00 -4.78 -1.43 8.00 -1.26 -5.04 116.55 113.90 1s99 n ASP 100 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1s99 n ASP 100 Cb 0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1s99 n ASP 100 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1s99 s LYS 101 N -1.00 3.90 -0.81 -1.24 -2.85 -1.26 -4.94 119.74 111.54 1s99 s LYS 101 Ca 0.00 1.68 -0.26 0.00 -1.00 0.00 0.00 55.97 56.40 1s99 s LYS 101 Cb 0.00 -2.45 0.02 0.00 -2.06 0.00 0.00 37.83 33.34 1s99 s LYS 101 CO 0.00 -0.41 1.52 1.03 0.10 0.00 0.00 175.35 177.59 1s99 s ARG 102 N -2.64 3.11 0.60 1.78 0.52 -1.26 -4.88 118.95 116.18 1s99 s ARG 102 Ca 0.62 -0.32 0.37 0.00 -0.52 0.00 0.00 55.73 55.88 1s99 s ARG 102 Cb -0.26 -4.64 1.87 0.00 0.52 0.00 0.00 34.95 32.43 1s99 s ARG 102 CO 0.32 -2.43 2.18 -0.39 0.02 0.00 0.00 175.30 175.00 1s99 h VAL 103 N 6.55 0.12 0.00 3.52 -1.51 -1.93 -2.60 116.25 120.40 1s99 h VAL 103 Ca -0.10 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1s99 h VAL 103 Cb 1.06 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 1s99 h VAL 103 CO 1.30 0.02 -0.96 0.59 -1.23 0.00 0.00 177.57 177.29 1s99 n ASN 104 N -3.20 0.63 -0.24 4.19 3.02 -1.26 -4.58 115.26 113.81 1s99 n ASN 104 Ca -0.02 -0.22 0.04 0.00 -0.03 0.00 0.00 54.58 54.35 1s99 n ASN 104 Cb 0.19 0.72 0.16 0.00 -0.61 0.00 0.00 39.78 40.24 1s99 n ASN 104 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1s99 h GLU 105 N 0.00 0.38 0.07 3.52 4.81 -1.82 -0.91 114.58 120.62 1s99 h GLU 105 Ca 0.00 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.04 1s99 h GLU 105 Cb 0.71 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.02 1s99 h GLU 105 CO 0.00 0.25 -0.71 0.22 -0.73 0.00 0.00 179.01 178.04 1s99 h ASP 106 N 0.39 0.51 -0.27 1.04 1.82 -1.81 -2.28 116.42 115.82 1s99 h ASP 106 Ca 0.39 -0.85 0.01 0.00 -0.39 0.00 0.00 57.03 56.19 1s99 h ASP 106 Cb 0.58 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1s99 h ASP 106 CO -0.41 1.31 0.18 0.00 -1.61 0.00 0.00 179.24 178.71 1s99 h ALA 107 N 0.21 1.85 -0.58 -0.78 0.00 -1.63 -2.41 119.26 115.92 1s99 h ALA 107 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1s99 h ALA 107 Cb 1.48 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1s99 h ALA 107 CO 0.14 0.13 0.00 1.33 0.00 0.00 0.00 179.25 180.85 1s99 n VAL 108 N -4.50 0.94 0.26 0.00 0.24 -0.42 -4.63 118.33 110.22 1s99 n VAL 108 Ca 0.01 -0.97 0.09 0.00 -2.04 0.00 0.00 64.34 61.44 1s99 n VAL 108 Cb 0.10 0.55 0.67 0.00 -1.47 0.00 0.00 33.84 33.68 1s99 n VAL 108 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1s99 h ARG 109 N 3.58 0.00 -0.01 7.34 0.11 -0.87 -0.74 114.38 123.78 1s99 h ARG 109 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1s99 h ARG 109 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1s99 h ARG 109 CO 0.00 0.09 -0.45 0.41 0.10 0.00 0.00 179.97 180.12 1s99 n GLY 110 N -1.16 -0.65 3.83 0.08 0.00 -1.26 -4.93 105.19 101.10 1s99 n GLY 110 Ca -0.03 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1s99 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s99 s LEU 111 N -2.66 4.16 0.09 0.99 1.43 -0.29 -5.08 118.68 117.31 1s99 s LEU 111 Ca 0.18 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1s99 s LEU 111 Cb 0.18 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1s99 s LEU 111 CO 0.61 -0.15 -0.08 -0.54 0.23 0.00 0.00 176.35 176.43 1s99 s LYS 112 N -2.61 0.78 -0.29 1.70 -0.14 -1.26 -4.94 119.74 112.98 1s99 s LYS 112 Ca 0.52 -1.17 -0.16 0.00 -1.36 0.00 0.00 55.97 53.80 1s99 s LYS 112 Cb -0.13 -0.32 0.15 0.00 -1.68 0.00 0.00 37.83 35.85 1s99 s LYS 112 CO 0.18 0.03 1.00 0.00 -0.76 0.00 0.00 175.35 175.80 1s99 s ALA 113 N -2.82 -2.34 0.34 5.17 0.00 -1.26 -4.83 121.76 116.02 1s99 s ALA 113 Ca 0.06 2.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.91 1s99 s ALA 113 Cb -0.00 -1.76 -0.12 0.00 0.00 0.00 0.00 23.12 21.25 1s99 s ALA 113 CO -0.02 -0.39 1.46 -0.85 0.00 0.00 0.00 175.76 175.96 1s99 n GLU 114 N 3.74 2.51 -2.79 0.00 0.28 -1.26 0.46 120.64 123.58 1s99 n GLU 114 Ca -0.18 0.88 -0.18 0.00 -0.16 0.00 0.00 57.16 57.53 1s99 n GLU 114 Cb 0.57 -2.59 -0.00 0.00 1.43 0.00 0.00 31.44 30.85 1s99 n GLU 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1s99 n ALA 115 N 0.88 3.62 -1.68 -1.84 0.00 0.34 -4.46 120.51 117.37 1s99 n ALA 115 Ca 0.04 -3.69 -0.44 0.00 0.00 0.00 0.00 53.44 49.35 1s99 n ALA 115 Cb 0.37 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1s99 n ALA 115 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s99 n PRO 116 N -0.10 2.10 -3.79 0.00 -0.04 -1.26 -4.48 135.00 127.44 1s99 n PRO 116 Ca 0.23 0.75 -0.13 0.00 -0.04 0.00 0.00 63.50 64.31 1s99 n PRO 116 Cb 0.68 -2.40 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 1s99 n PRO 116 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s99 s GLN 118 N 0.35 3.83 0.06 0.00 -0.21 -0.64 -0.53 119.66 122.53 1s99 s GLN 118 Ca -0.02 -0.43 0.01 0.00 0.02 0.00 0.00 55.36 54.95 1s99 s GLN 118 Cb -0.03 -3.07 -0.03 0.00 1.00 0.00 0.00 33.01 30.87 1s99 s GLN 118 CO -0.01 0.26 -0.06 -0.59 -2.12 0.00 0.00 175.29 172.76 1s99 s PHE 119 N 0.36 0.70 -0.05 0.91 -0.12 -0.35 -1.26 117.98 118.18 1s99 s PHE 119 Ca -0.00 -0.74 -0.02 0.00 -0.05 0.00 0.00 56.93 56.12 1s99 s PHE 119 Cb -0.13 -0.43 0.03 0.00 -0.63 0.00 0.00 43.02 41.86 1s99 s PHE 119 CO 0.01 -0.16 0.10 0.00 -0.05 0.00 0.00 175.22 175.13 1s99 s ALA 120 N -2.59 -0.13 -0.15 1.99 0.00 -0.72 -1.17 121.76 118.98 1s99 s ALA 120 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 1s99 s ALA 120 Cb -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1s99 s ALA 120 CO -0.03 -0.13 0.07 -1.17 0.00 0.00 0.00 175.76 174.49 1s99 s LEU 121 N 1.05 3.88 -0.54 0.00 2.96 -1.26 -1.09 118.68 123.68 1s99 s LEU 121 Ca -0.08 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1s99 s LEU 121 Cb -0.11 -1.96 0.16 0.00 0.50 0.00 0.00 46.19 44.78 1s99 s LEU 121 CO -0.04 0.25 0.37 -0.31 -1.32 0.00 0.00 176.35 175.30 1s99 s TYR 122 N -0.11 2.47 0.94 5.38 4.12 0.35 -4.96 117.35 125.53 1s99 s TYR 122 Ca 0.07 -2.81 -0.14 0.00 0.02 0.00 0.00 57.07 54.21 1s99 s TYR 122 Cb -0.12 -2.03 0.16 0.00 -1.52 0.00 0.00 41.96 38.45 1s99 s TYR 122 CO 0.01 -0.70 1.19 -2.14 0.02 0.00 0.00 175.55 173.93 1s99 s PRO 123 N -0.48 0.91 0.00 -1.71 0.02 -1.26 -1.76 135.00 130.71 1s99 s PRO 123 Ca 0.24 0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.31 1s99 s PRO 123 Cb -0.09 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1s99 s PRO 123 CO -0.12 -2.30 0.00 -1.71 -0.33 0.00 0.00 177.00 172.54 1s99 n ASN 125 N -3.79 0.00 -3.55 2.53 5.15 -1.26 -4.86 115.26 109.48 1s99 n ASN 125 Ca 0.10 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.79 1s99 n ASN 125 Cb 0.60 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.69 1s99 n ASN 125 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1s99 s GLU 126 N 0.00 0.19 0.55 1.20 2.56 -1.26 -5.01 118.70 116.93 1s99 s GLU 126 Ca 0.00 -0.49 0.24 0.00 0.00 0.00 0.00 54.97 54.72 1s99 s GLU 126 Cb 0.00 -1.26 1.48 0.00 2.00 0.00 0.00 34.13 36.35 1s99 s GLU 126 CO 0.00 -0.98 2.10 -1.35 -0.56 0.00 0.00 175.26 174.48 1s99 h PRO 127 N 8.40 0.00 -0.87 4.30 0.11 -2.03 -1.85 132.00 140.07 1s99 h PRO 127 Ca -0.19 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.73 1s99 h PRO 127 Cb 1.03 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.02 1s99 h PRO 127 CO 0.42 0.00 0.24 -3.47 -0.21 0.00 0.00 178.00 174.99 1s99 n ASP 128 N -4.20 3.88 -1.49 -2.05 4.64 -1.26 -4.94 116.55 111.12 1s99 n ASP 128 Ca 0.02 -2.89 0.00 0.00 -1.38 0.00 0.00 54.79 50.54 1s99 n ASP 128 Cb 0.30 -0.69 0.00 0.00 -1.04 0.00 0.00 41.12 39.69 1s99 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1s99 n TYR 129 N -0.14 0.00 0.00 -0.67 0.18 -0.70 -2.33 117.16 113.50 1s99 n TYR 129 Ca 0.31 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.97 1s99 n TYR 129 Cb 1.12 -0.21 0.00 0.00 -0.38 0.00 0.00 39.34 39.87 1s99 n TYR 129 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1s99 n GLY 131 N 1.46 0.00 0.35 -7.48 0.00 -1.26 -1.33 105.19 96.93 1s99 n GLY 131 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1s99 n GLY 131 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s99 h LEU 132 N 0.00 1.11 -1.72 0.99 3.38 -1.91 -1.31 115.31 115.85 1s99 h LEU 132 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1s99 h LEU 132 Cb 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1s99 h LEU 132 CO 0.00 0.96 0.00 -0.38 0.09 0.00 0.00 178.44 179.11 1s99 n ILE 133 N -4.29 0.07 0.00 1.22 5.41 -0.44 -1.02 119.36 120.30 1s99 n ILE 133 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1s99 n ILE 133 Cb 0.16 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 1s99 n ILE 133 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1s99 n GLU 135 N 0.81 0.00 -0.15 0.38 2.13 -0.50 -2.04 120.64 121.27 1s99 n GLU 135 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1s99 n GLU 135 Cb 0.04 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.74 1s99 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s99 h ALA 136 N 0.00 0.59 -0.47 4.31 0.00 -1.35 -1.33 119.26 121.01 1s99 h ALA 136 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1s99 h ALA 136 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1s99 h ALA 136 CO 0.00 0.39 0.26 0.28 0.00 0.00 0.00 179.25 180.18 1s99 h VAL 137 N 0.62 1.16 -0.51 0.00 2.07 -1.70 -2.43 116.25 115.47 1s99 h VAL 137 Ca 0.12 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.28 1s99 h VAL 137 Cb 0.50 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1s99 h VAL 137 CO 0.02 0.17 0.25 0.44 0.02 0.00 0.00 177.57 178.47 1s99 h ASP 138 N 0.62 0.34 -0.31 0.57 3.32 -1.77 -1.42 116.42 117.78 1s99 h ASP 138 Ca 0.17 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.28 1s99 h ASP 138 Cb 0.04 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1s99 h ASP 138 CO -0.03 0.23 0.14 0.40 -1.72 0.00 0.00 179.24 178.26 1s99 h ILE 139 N 0.48 0.96 -0.36 0.35 2.04 -1.10 0.83 117.51 120.70 1s99 h ILE 139 Ca 0.23 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1s99 h ILE 139 Cb 0.16 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1s99 h ILE 139 CO -0.17 0.05 0.09 0.00 0.00 0.00 0.00 178.15 178.12 1s99 h ALA 140 N 1.18 1.48 -0.11 1.87 0.00 -0.93 -0.65 119.26 122.09 1s99 h ALA 140 Ca 0.13 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1s99 h ALA 140 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s99 h ALA 140 CO -0.11 0.38 -0.25 0.87 0.00 0.00 0.00 179.25 180.14 1s99 h LYS 141 N 0.52 0.37 -0.79 0.00 1.57 -0.78 0.34 116.57 117.79 1s99 h LYS 141 Ca 0.12 -0.24 0.13 0.00 -1.87 0.00 0.00 60.65 58.79 1s99 h LYS 141 Cb 0.20 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1s99 h LYS 141 CO -0.00 0.85 0.52 0.00 -0.57 0.00 0.00 179.45 180.24 1s99 h ALA 142 N 0.52 1.97 -0.02 3.86 0.00 -0.48 -1.22 119.26 123.89 1s99 h ALA 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s99 h ALA 142 Cb 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1s99 h ALA 142 CO 0.05 -0.17 -0.10 1.04 0.00 0.00 0.00 179.25 180.07 1s99 n GLN 143 N -4.50 1.64 -1.04 0.00 6.02 -0.28 -4.97 117.38 114.25 1s99 n GLN 143 Ca 0.15 -1.14 -0.01 0.00 -0.01 0.00 0.00 57.00 55.98 1s99 n GLN 143 Cb 0.47 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.25 1s99 n GLN 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s99 n GLY 144 N 1.28 0.50 0.01 1.08 0.00 -0.46 -4.92 105.19 102.68 1s99 n GLY 144 Ca 0.15 -0.76 0.09 0.00 0.00 0.00 0.00 46.02 45.50 1s99 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s99 n THR 145 N -2.94 0.00 -1.89 2.61 -2.24 0.01 -4.94 114.28 104.89 1s99 n THR 145 Ca -0.01 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1s99 n THR 145 Cb 0.05 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1s99 n THR 145 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1s99 s PHE 146 N -3.12 2.83 -0.05 4.78 5.36 -0.82 -0.77 117.98 126.20 1s99 s PHE 146 Ca -0.03 1.01 -0.08 0.00 -0.96 0.00 0.00 56.93 56.87 1s99 s PHE 146 Cb 0.12 -3.94 -0.03 0.00 -0.34 0.00 0.00 43.02 38.83 1s99 s PHE 146 CO 0.77 -3.00 -0.17 0.28 -1.46 0.00 0.00 175.22 171.64 1s99 n VAL 147 N 1.71 1.28 -3.54 3.12 0.31 -0.06 -4.83 118.33 116.31 1s99 n VAL 147 Ca 0.05 0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.53 1s99 n VAL 147 Cb 0.39 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.38 1s99 n VAL 147 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s99 s GLN 148 N -2.41 0.63 0.26 5.55 -2.07 -1.20 -5.02 119.66 115.40 1s99 s GLN 148 Ca -0.14 -0.16 -0.25 0.00 -1.82 0.00 0.00 55.36 52.99 1s99 s GLN 148 Cb 0.03 0.29 -0.09 0.00 -1.09 0.00 0.00 33.01 32.15 1s99 s GLN 148 CO 0.21 -0.26 0.85 0.20 -1.32 0.00 0.00 175.29 174.97 1s99 s GLY 149 N -2.10 2.81 0.36 2.60 0.00 -1.26 -0.73 107.32 108.99 1s99 s GLY 149 Ca 0.05 0.41 0.03 0.00 0.00 0.00 0.00 44.72 45.21 1s99 s GLY 149 CO -0.06 0.85 0.09 -1.34 0.00 0.00 0.00 173.10 172.65 1s99 s VAL 150 N -1.46 0.86 0.04 1.40 -7.23 -0.21 -4.94 120.40 108.86 1s99 s VAL 150 Ca 0.45 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.30 1s99 s VAL 150 Cb -0.20 -2.57 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 1s99 s VAL 150 CO 0.24 0.00 1.92 1.41 -0.31 0.00 0.00 175.10 178.37 1s99 n HIS 151 N -0.77 2.51 -0.99 2.82 8.25 -1.26 -2.87 115.22 122.91 1s99 n HIS 151 Ca -0.04 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1s99 n HIS 151 Cb 0.66 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 29.01 1s99 n HIS 151 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1s99 n TYR 152 N 6.86 0.00 -3.57 4.41 0.53 -1.26 -4.95 117.16 119.18 1s99 n TYR 152 Ca 0.20 0.00 -0.07 0.00 -1.02 0.00 0.00 57.90 57.01 1s99 n TYR 152 Cb 0.38 -0.23 -0.02 0.00 -1.03 0.00 0.00 39.34 38.45 1s99 n TYR 152 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1s99 s ALA 153 N -2.19 -1.81 0.08 -0.72 0.00 -1.14 -4.74 121.76 111.25 1s99 s ALA 153 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.83 1s99 s ALA 153 Cb 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1s99 s ALA 153 CO 0.00 -0.77 0.05 -1.12 0.00 0.00 0.00 175.76 173.92 1s99 s SER 154 N -2.58 5.35 -0.10 0.00 0.01 -0.32 -1.05 113.70 115.01 1s99 s SER 154 Ca 0.07 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.25 1s99 s SER 154 Cb -0.01 -1.39 -0.03 0.00 0.21 0.00 0.00 66.02 64.80 1s99 s SER 154 CO -0.06 0.18 -0.02 -1.61 0.41 0.00 0.00 173.24 172.14 1s99 s GLU 155 N -2.33 3.08 0.23 12.44 2.02 0.09 -1.21 118.70 133.03 1s99 s GLU 155 Ca 0.28 -0.46 0.10 0.00 0.02 0.00 0.00 54.97 54.91 1s99 s GLU 155 Cb -0.12 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 1s99 s GLU 155 CO 0.20 0.60 -0.19 -0.51 0.02 0.00 0.00 175.26 175.38 1s99 s LEU 156 N -0.60 2.54 0.15 1.80 1.43 0.31 -0.88 118.68 123.42 1s99 s LEU 156 Ca 0.10 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.06 1s99 s LEU 156 Cb -0.12 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.16 1s99 s LEU 156 CO 0.02 -0.01 0.41 -0.62 0.23 0.00 0.00 176.35 176.39 1s99 s ASP 157 N -3.23 -0.20 0.00 2.29 -1.08 0.05 -1.24 116.67 113.27 1s99 s ASP 157 Ca 0.25 -0.42 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 1s99 s ASP 157 Cb -0.05 0.49 0.00 0.00 -1.46 0.00 0.00 42.92 41.91 1s99 s ASP 157 CO 0.11 -0.90 0.00 0.61 0.52 0.00 0.00 175.17 175.51 1s99 n GLY 158 N -0.25 0.97 3.78 2.66 0.00 -1.26 -4.57 105.19 106.53 1s99 n GLY 158 Ca -0.14 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.58 1s99 n GLY 158 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s99 s ASP 159 N -2.18 5.65 0.35 1.61 2.15 -1.26 -0.50 116.67 122.48 1s99 s ASP 159 Ca 0.00 2.06 0.09 0.00 0.43 0.00 0.00 52.55 55.13 1s99 s ASP 159 Cb 0.00 -2.57 0.81 0.00 -0.30 0.00 0.00 42.92 40.86 1s99 s ASP 159 CO 0.00 -1.27 1.85 0.00 -0.17 0.00 0.00 175.17 175.58 1s99 h ALA 160 N 0.86 1.82 -0.84 3.66 0.00 -0.27 -1.79 119.26 122.69 1s99 h ALA 160 Ca -0.49 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1s99 h ALA 160 Cb 1.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1s99 h ALA 160 CO 0.56 -0.08 0.42 0.45 0.00 0.00 0.00 179.25 180.60 1s99 h HIS 161 N 0.71 1.19 -0.27 0.00 3.86 -1.92 -0.54 115.15 118.18 1s99 h HIS 161 Ca 0.48 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.56 1s99 h HIS 161 Cb 0.77 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 1s99 h HIS 161 CO -0.00 0.86 -0.11 -0.44 0.86 0.00 0.00 177.93 179.10 1s99 h ASP 162 N 1.19 0.55 -0.17 2.45 3.32 -1.74 -2.60 116.42 119.43 1s99 h ASP 162 Ca 0.29 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 1s99 h ASP 162 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1s99 h ASP 162 CO -0.04 0.82 -0.02 0.58 -1.72 0.00 0.00 179.24 178.87 1s99 h VAL 163 N 0.28 1.27 -0.18 -1.35 2.07 -1.19 -1.88 116.25 115.27 1s99 h VAL 163 Ca 0.06 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1s99 h VAL 163 Cb 0.60 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1s99 h VAL 163 CO 0.03 0.27 -0.08 -0.26 0.02 0.00 0.00 177.57 177.56 1s99 h PHE 164 N 0.03 0.28 -0.39 1.57 -1.00 -1.20 -0.03 116.94 116.21 1s99 h PHE 164 Ca 0.05 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1s99 h PHE 164 Cb 0.42 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1s99 h PHE 164 CO 0.04 0.36 0.14 1.03 -1.61 0.00 0.00 178.31 178.27 1s99 h SER 165 N 0.27 0.55 -0.46 2.17 0.87 -1.28 -1.33 113.55 114.34 1s99 h SER 165 Ca 0.06 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1s99 h SER 165 Cb 0.32 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1s99 h SER 165 CO 0.02 0.59 0.30 0.74 -0.53 0.00 0.00 176.83 177.94 1s99 h THR 166 N 0.48 1.13 -0.59 2.23 2.02 -0.68 -1.88 112.91 115.62 1s99 h THR 166 Ca 0.13 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1s99 h THR 166 Cb 0.22 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1s99 h THR 166 CO -0.01 0.12 0.20 -0.07 0.37 0.00 0.00 175.52 176.14 1s99 h LEU 167 N 0.62 0.84 -0.51 2.58 3.38 -0.82 -1.44 115.31 119.95 1s99 h LEU 167 Ca 0.17 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1s99 h LEU 167 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1s99 h LEU 167 CO -0.03 0.81 0.10 -0.08 0.09 0.00 0.00 178.44 179.33 1s99 h GLU 168 N 0.82 0.84 -0.52 1.13 4.81 -1.13 -1.88 114.58 118.65 1s99 h GLU 168 Ca 0.19 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1s99 h GLU 168 Cb 0.26 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1s99 h GLU 168 CO -0.01 0.81 0.27 0.00 -0.73 0.00 0.00 179.01 179.36 1s99 h ALA 169 N 0.99 0.67 -0.21 2.92 0.00 -1.00 -0.15 119.26 122.48 1s99 h ALA 169 Ca 0.16 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1s99 h ALA 169 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s99 h ALA 169 CO 0.01 -0.07 0.10 0.28 0.00 0.00 0.00 179.25 179.56 1s99 h VAL 170 N 0.52 0.99 -0.66 0.00 2.07 -1.23 -2.92 116.25 115.02 1s99 h VAL 170 Ca 0.23 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1s99 h VAL 170 Cb 0.13 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1s99 h VAL 170 CO -0.16 0.04 0.39 0.15 0.02 0.00 0.00 177.57 178.01 1s99 h PHE 171 N 0.22 0.88 0.00 1.57 3.57 -0.94 -1.80 116.94 120.43 1s99 h PHE 171 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1s99 h PHE 171 Cb 0.03 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1s99 h PHE 171 CO -0.10 0.61 0.00 0.54 -2.23 0.00 0.00 178.31 177.13 1s99 n ARG 172 N -4.56 0.53 0.00 1.11 1.74 -0.10 -1.20 116.66 114.18 1s99 n ARG 172 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1s99 n ARG 172 Cb 0.06 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1s99 n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s99 n ALA 174 N 0.94 0.00 0.25 7.54 0.00 -0.68 -1.63 120.51 126.93 1s99 n ALA 174 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1s99 n ALA 174 Cb 0.26 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.25 1s99 n ALA 174 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1s99 h GLU 175 N 0.00 0.00 0.00 0.00 -0.00 -1.37 -0.23 114.58 112.99 1s99 h GLU 175 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.29 1s99 h GLU 175 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 1s99 h GLU 175 CO 0.00 0.10 -0.34 1.96 -0.00 0.00 0.00 179.01 180.73 1s99 h GLN 176 N 0.00 0.00 0.00 1.06 1.08 -1.56 -3.32 115.11 112.36 1s99 h GLN 176 Ca -0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.00 1s99 h GLN 176 Cb 0.66 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.06 1s99 h GLN 176 CO 0.01 0.34 -2.05 1.04 -0.95 0.00 0.00 178.83 177.22 1s99 n GLN 177 N -3.48 0.67 -3.84 1.46 6.02 -0.52 -5.00 117.38 112.68 1s99 n GLN 177 Ca -0.00 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1s99 n GLN 177 Cb 0.50 -1.58 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 1s99 n GLN 177 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1s99 s THR 178 N -2.95 0.04 0.04 5.09 -1.32 -0.21 -5.08 115.64 111.25 1s99 s THR 178 Ca -0.08 -0.36 -0.24 0.00 -1.21 0.00 0.00 61.69 59.80 1s99 s THR 178 Cb 0.09 -0.35 -0.17 0.00 -1.51 0.00 0.00 72.50 70.56 1s99 s THR 178 CO 0.86 -0.20 1.52 0.78 -2.21 0.00 0.00 174.62 175.37 1s99 h ASN 179 N 5.01 -0.01 -3.44 8.08 2.35 -1.87 -3.40 115.58 122.31 1s99 h ASN 179 Ca -0.28 -0.22 -0.67 0.00 -0.55 0.00 0.00 56.30 54.58 1s99 h ASN 179 Cb 1.19 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.24 1s99 h ASN 179 CO 0.40 0.22 -0.77 -2.28 -1.65 0.00 0.00 177.43 173.34 1s99 s HIS 180 N -5.31 3.02 0.11 1.19 2.46 -1.26 -3.98 115.29 111.52 1s99 s HIS 180 Ca -0.14 -1.60 0.06 0.00 0.47 0.00 0.00 55.06 53.85 1s99 s HIS 180 Cb 0.04 -2.02 -0.04 0.00 -0.13 0.00 0.00 32.58 30.44 1s99 s HIS 180 CO 0.67 -0.75 -0.16 0.96 -2.47 0.00 0.00 174.74 172.99 1s99 s ILE 181 N 1.31 1.38 0.00 0.89 -4.36 -0.81 -4.67 121.20 114.94 1s99 s ILE 181 Ca 0.01 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1s99 s ILE 181 Cb -0.16 -1.44 0.00 0.00 1.25 0.00 0.00 42.46 42.11 1s99 s ILE 181 CO -0.06 -0.30 0.00 0.35 0.24 0.00 0.00 174.94 175.17 1s99 n THR 182 N 0.80 0.00 -3.87 8.37 -2.24 -0.73 -1.74 114.28 114.88 1s99 n THR 182 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1s99 n THR 182 Cb 0.56 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1s99 n THR 182 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1s99 s THR 184 N -0.67 0.06 0.02 4.28 -4.23 -0.25 -0.50 115.64 114.36 1s99 s THR 184 Ca 0.00 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 1s99 s THR 184 Cb 0.00 -0.32 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 1s99 s THR 184 CO 0.00 -0.25 -0.06 0.68 -0.54 0.00 0.00 174.62 174.45 1s99 s VAL 185 N -0.85 0.43 -0.26 2.29 -7.23 -0.12 -1.76 120.40 112.91 1s99 s VAL 185 Ca -0.09 -0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1s99 s VAL 185 Cb -0.05 -0.46 0.10 0.00 0.56 0.00 0.00 36.38 36.53 1s99 s VAL 185 CO 0.01 -0.21 0.18 0.21 -0.31 0.00 0.00 175.10 174.98 1s99 s ASN 186 N -1.00 2.58 -0.13 4.85 3.04 -0.39 -1.41 114.94 122.48 1s99 s ASN 186 Ca -0.06 -0.90 0.00 0.00 0.04 0.00 0.00 52.86 51.95 1s99 s ASN 186 Cb -0.07 -0.01 -0.01 0.00 -1.54 0.00 0.00 41.25 39.62 1s99 s ASN 186 CO 0.00 -0.40 -0.15 -0.76 -3.04 0.00 0.00 177.10 172.76 1s99 s LEU 187 N 2.20 2.60 -0.18 3.21 1.02 -1.26 -1.61 118.68 124.66 1s99 s LEU 187 Ca 0.08 -0.38 0.01 0.00 0.02 0.00 0.00 54.13 53.86 1s99 s LEU 187 Cb -0.15 -1.58 0.02 0.00 0.02 0.00 0.00 46.19 44.50 1s99 s LEU 187 CO -0.28 0.15 -0.18 -0.55 0.02 0.00 0.00 176.35 175.51 1s99 s SER 188 N 0.44 3.12 -0.08 2.29 0.15 -0.78 -4.34 113.70 114.49 1s99 s SER 188 Ca -0.11 -0.66 -0.00 0.00 0.70 0.00 0.00 55.95 55.88 1s99 s SER 188 Cb -0.16 -1.43 -0.03 0.00 -1.71 0.00 0.00 66.02 62.69 1s99 s SER 188 CO 0.05 -0.02 -0.06 0.00 1.20 0.00 0.00 173.24 174.41 1s99 s ALA 189 N 1.32 3.00 -1.40 5.45 0.00 -0.22 -4.06 121.76 125.85 1s99 s ALA 189 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1s99 s ALA 189 Cb -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1s99 s ALA 189 CO -0.12 0.52 0.16 0.09 0.00 0.00 0.00 175.76 176.41 1s99 n ASN 190 N 2.43 -5.11 -4.74 0.00 3.02 -1.26 -2.34 115.26 107.27 1s99 n ASN 190 Ca -0.18 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 1s99 n ASN 190 Cb 0.53 -4.12 -0.02 0.00 -0.61 0.00 0.00 39.78 35.56 1s99 n ASN 190 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1s99 s SER 191 N -2.40 6.38 0.38 6.41 0.15 -1.26 -4.15 113.70 119.21 1s99 s SER 191 Ca 0.08 2.91 0.28 0.00 0.70 0.00 0.00 55.95 59.92 1s99 s SER 191 Cb -0.04 -2.62 1.14 0.00 -1.71 0.00 0.00 66.02 62.79 1s99 s SER 191 CO 0.10 -0.93 1.83 1.55 1.20 0.00 0.00 173.24 176.98 1s99 h PRO 192 N 5.63 0.00 -0.00 5.44 0.13 -2.01 -2.12 132.00 139.06 1s99 h PRO 192 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s99 h PRO 192 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1s99 h PRO 192 CO 0.86 0.00 -0.12 -1.13 -0.23 0.00 0.00 178.00 177.38 1s99 n SER 193 N -2.61 0.37 -4.71 1.44 3.41 -1.26 -4.86 113.62 105.40 1s99 n SER 193 Ca 0.02 -0.37 -0.42 0.00 -0.26 0.00 0.00 58.87 57.83 1s99 n SER 193 Cb 0.27 -0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1s99 n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s99 s ARG 194 N -2.59 4.56 -0.15 4.33 1.04 -0.80 -5.02 118.95 120.31 1s99 s ARG 194 Ca 0.25 1.51 -0.29 0.00 -1.04 0.00 0.00 55.73 56.16 1s99 s ARG 194 Cb 0.20 -3.42 -0.01 0.00 -2.04 0.00 0.00 34.95 29.68 1s99 s ARG 194 CO 0.50 -0.05 1.08 0.15 -0.04 0.00 0.00 175.30 176.94 1s99 s LYS 195 N 0.80 4.33 0.03 3.89 -0.14 -1.26 -4.99 119.74 122.40 1s99 s LYS 195 Ca 0.52 1.46 0.02 0.00 -1.36 0.00 0.00 55.97 56.61 1s99 s LYS 195 Cb -0.23 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.27 1s99 s LYS 195 CO 0.29 -0.50 0.02 1.21 -0.76 0.00 0.00 175.35 175.61 1s99 s ASN 196 N 1.30 5.23 0.00 2.83 2.47 -1.26 -5.22 114.94 120.30 1s99 s ASN 196 Ca 0.49 -0.02 0.29 0.00 0.42 0.00 0.00 52.86 54.03 1s99 s ASN 196 Cb -0.18 -1.37 1.72 0.00 -1.45 0.00 0.00 41.25 39.96 1s99 s ASN 196 CO 0.14 0.24 2.05 -2.11 -3.72 0.00 0.00 177.10 173.70