#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmo n ARG 3 N 0.00 0.14 -3.39 0.54 5.12 -1.26 -5.18 116.66 112.63 1xmo n ARG 3 Ca 0.00 -0.21 0.02 0.00 -1.93 0.00 0.00 57.85 55.73 1xmo n ARG 3 Cb 0.00 0.17 -0.03 0.00 -1.16 0.00 0.00 32.46 31.43 1xmo n ARG 3 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1xmo s SER 4 N -1.15 -0.73 0.00 0.55 1.04 -1.26 -5.07 113.70 107.08 1xmo s SER 4 Ca 0.02 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1xmo s SER 4 Cb 0.00 1.78 0.00 0.00 0.10 0.00 0.00 66.02 67.90 1xmo s SER 4 CO 0.02 -0.14 0.00 0.18 0.98 0.00 0.00 173.24 174.28 1xmo n LEU 5 N 5.16 0.00 0.00 2.42 4.77 -1.26 -5.12 117.00 122.97 1xmo n LEU 5 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1xmo n LEU 5 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1xmo n LEU 5 CO -0.04 0.00 0.06 2.29 -1.33 0.00 0.00 177.39 178.36 1xmo n LYS 6 N 0.00 0.00 -3.96 3.23 0.00 -1.26 -4.56 118.16 111.61 1xmo n LYS 6 Ca 0.00 0.12 -0.31 0.00 -0.00 0.00 0.00 58.31 58.12 1xmo n LYS 6 Cb 0.00 -0.56 -0.16 0.00 -0.00 0.00 0.00 35.03 34.31 1xmo n LYS 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1xmo s LYS 7 N -0.27 1.74 0.00 -1.58 0.00 -1.26 -4.94 119.74 113.43 1xmo s LYS 7 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 55.97 54.94 1xmo s LYS 7 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.21 1xmo s LYS 7 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.35 175.18 1xmo n GLY 8 N 4.64 0.74 3.31 0.59 0.00 -1.26 -5.12 105.19 108.09 1xmo n GLY 8 Ca -0.13 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1xmo n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xmo n VAL 9 N 0.00 0.00 -4.88 1.61 0.31 -1.26 -5.01 118.33 109.11 1xmo n VAL 9 Ca 0.00 -0.26 -0.27 0.00 -0.01 0.00 0.00 64.34 63.80 1xmo n VAL 9 Cb 0.00 -0.58 -0.16 0.00 -0.91 0.00 0.00 33.84 32.19 1xmo n VAL 9 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1xmo s PHE 10 N -2.28 1.86 -0.27 3.52 5.36 -1.26 -5.10 117.98 119.81 1xmo s PHE 10 Ca 0.55 -0.63 -0.07 0.00 -0.96 0.00 0.00 56.93 55.82 1xmo s PHE 10 Cb -0.15 -1.27 0.13 0.00 -0.34 0.00 0.00 43.02 41.39 1xmo s PHE 10 CO 0.67 -0.25 0.57 0.08 -1.46 0.00 0.00 175.22 174.83 1xmo s VAL 11 N 0.26 -0.90 0.05 3.12 1.01 -1.26 -1.31 120.40 121.38 1xmo s VAL 11 Ca -0.10 0.04 -0.33 0.00 0.00 0.00 0.00 61.98 61.59 1xmo s VAL 11 Cb -0.14 -0.91 -0.11 0.00 0.00 0.00 0.00 36.38 35.21 1xmo s VAL 11 CO 0.04 0.01 1.82 0.47 0.00 0.00 0.00 175.10 177.44 1xmo n ASP 12 N 5.43 3.69 -0.23 3.32 9.92 -1.26 -4.90 116.55 132.52 1xmo n ASP 12 Ca -0.09 0.99 0.03 0.00 -0.53 0.00 0.00 54.79 55.19 1xmo n ASP 12 Cb 0.49 -1.47 0.12 0.00 -0.64 0.00 0.00 41.12 39.63 1xmo n ASP 12 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1xmo h ASP 13 N 8.49 -0.29 -0.84 -2.24 -0.00 -2.00 -2.71 116.42 116.83 1xmo h ASP 13 Ca -0.47 0.17 0.18 0.00 -0.00 0.00 0.00 57.03 56.91 1xmo h ASP 13 Cb 1.25 0.30 -0.11 0.00 -0.00 0.00 0.00 39.33 40.76 1xmo h ASP 13 CO 0.94 -0.13 0.36 1.12 -0.00 0.00 0.00 179.24 181.52 1xmo h HIS 14 N 0.12 0.61 0.00 4.15 2.07 -1.96 0.46 115.15 120.60 1xmo h HIS 14 Ca 0.36 0.04 -0.14 0.00 -2.85 0.00 0.00 60.37 57.78 1xmo h HIS 14 Cb 0.60 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.42 1xmo h HIS 14 CO -0.38 0.03 -0.66 1.37 -3.07 0.00 0.00 177.93 175.22 1xmo h LEU 15 N 0.45 0.00 0.26 6.12 8.10 -1.91 -2.90 115.31 125.43 1xmo h LEU 15 Ca 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.47 1xmo h LEU 15 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 1xmo h LEU 15 CO -0.46 0.66 -0.12 0.25 -4.11 0.00 0.00 178.44 174.65 1xmo h LEU 16 N 0.00 -0.29 -0.09 0.17 5.85 -0.28 -1.33 115.31 119.34 1xmo h LEU 16 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xmo h LEU 16 Cb 1.49 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1xmo h LEU 16 CO 0.09 -0.16 0.00 -1.84 -0.34 0.00 0.00 178.44 176.18 1xmo n GLU 17 N -3.18 0.61 -0.05 1.25 0.28 0.13 -1.29 120.64 118.39 1xmo n GLU 17 Ca -0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.94 1xmo n GLU 17 Cb 0.14 -1.03 -0.13 0.00 1.43 0.00 0.00 31.44 31.85 1xmo n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1xmo n LYS 18 N -0.44 1.03 -0.02 3.44 4.81 -1.09 -4.10 118.16 121.79 1xmo n LYS 18 Ca 0.00 -0.07 -0.17 0.00 -0.87 0.00 0.00 58.31 57.21 1xmo n LYS 18 Cb 0.01 -1.42 -0.14 0.00 0.02 0.00 0.00 35.03 33.51 1xmo n LYS 18 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1xmo n VAL 19 N -2.41 1.70 0.26 3.15 3.14 -0.41 -4.06 118.33 119.69 1xmo n VAL 19 Ca -0.18 -0.70 0.12 0.00 -2.96 0.00 0.00 64.34 60.62 1xmo n VAL 19 Cb 0.81 -1.44 0.73 0.00 -1.06 0.00 0.00 33.84 32.88 1xmo n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1xmo h LEU 20 N 0.04 0.00 -0.61 6.55 8.10 -1.45 -1.74 115.31 126.20 1xmo h LEU 20 Ca -0.39 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.50 1xmo h LEU 20 Cb 2.03 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 42.23 1xmo h LEU 20 CO 0.07 0.11 -0.00 -0.33 -4.11 0.00 0.00 178.44 174.18 1xmo h GLU 21 N 0.00 1.08 -0.01 0.17 5.08 -1.71 -1.87 114.58 117.32 1xmo h GLU 21 Ca -0.00 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.95 1xmo h GLU 21 Cb 0.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xmo h GLU 21 CO 0.01 1.05 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.70 1xmo h LEU 22 N 0.98 0.01 -3.94 1.33 3.38 -1.50 -3.01 115.31 112.57 1xmo h LEU 22 Ca 0.17 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1xmo h LEU 22 Cb 0.57 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xmo h LEU 22 CO 0.03 0.33 -0.05 0.59 0.09 0.00 0.00 178.44 179.43 1xmo n ASN 23 N -4.16 3.47 -0.54 -0.43 3.02 -0.70 -1.50 115.26 114.42 1xmo n ASN 23 Ca -0.02 -2.06 -0.02 0.00 -0.03 0.00 0.00 54.58 52.46 1xmo n ASN 23 Cb 0.36 -0.86 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 1xmo n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xmo n ALA 24 N 2.27 1.64 0.00 5.41 0.00 -1.14 -5.00 120.51 123.69 1xmo n ALA 24 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xmo n ALA 24 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1xmo n ALA 24 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1xmo n LYS 25 N 0.00 0.00 -3.70 0.00 2.85 -0.76 -5.13 118.16 111.42 1xmo n LYS 25 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1xmo n LYS 25 Cb 0.42 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 1xmo n LYS 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xmo n GLY 26 N -0.84 -2.32 3.71 2.58 0.00 -0.57 -5.13 105.19 102.63 1xmo n GLY 26 Ca 0.00 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1xmo n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xmo s GLU 27 N -1.96 4.43 -0.00 1.61 2.02 -1.26 -4.48 118.70 119.06 1xmo s GLU 27 Ca 0.00 0.88 -0.21 0.00 0.02 0.00 0.00 54.97 55.66 1xmo s GLU 27 Cb 0.00 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.72 1xmo s GLU 27 CO 0.00 0.04 0.62 0.21 0.02 0.00 0.00 175.26 176.15 1xmo s LYS 28 N 0.89 4.35 -0.63 1.61 2.20 -1.26 -5.00 119.74 121.90 1xmo s LYS 28 Ca 0.37 0.78 -0.26 0.00 -0.36 0.00 0.00 55.97 56.50 1xmo s LYS 28 Cb -0.18 -3.35 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1xmo s LYS 28 CO 0.18 0.35 1.81 1.03 -0.36 0.00 0.00 175.35 178.36 1xmo s ARG 29 N -0.13 2.67 0.17 4.03 0.52 -1.26 -4.58 118.95 120.37 1xmo s ARG 29 Ca 0.32 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1xmo s ARG 29 Cb -0.18 -4.39 0.00 0.00 0.52 0.00 0.00 34.95 30.90 1xmo s ARG 29 CO 0.18 -2.70 0.00 1.28 0.02 0.00 0.00 175.30 174.08 1xmo n LEU 30 N 12.49 -2.08 -3.71 2.53 4.77 -1.25 -5.02 117.00 124.74 1xmo n LEU 30 Ca 0.19 1.12 -0.28 0.00 -0.03 0.00 0.00 56.01 57.01 1xmo n LEU 30 Cb 0.52 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 41.00 1xmo n LEU 30 CO 0.71 0.05 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.83 1xmo s ILE 31 N -2.17 0.49 -0.32 -0.08 -1.09 -0.96 -4.92 121.20 112.16 1xmo s ILE 31 Ca 0.00 -0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 57.40 1xmo s ILE 31 Cb 0.00 -1.13 -0.01 0.00 -1.58 0.00 0.00 42.46 39.74 1xmo s ILE 31 CO 0.00 -0.37 1.60 -0.54 -1.23 0.00 0.00 174.94 174.40 1xmo s LYS 32 N 1.85 3.57 0.19 2.79 -0.14 -1.26 -1.13 119.74 125.62 1xmo s LYS 32 Ca 0.02 1.34 0.10 0.00 -1.36 0.00 0.00 55.97 56.08 1xmo s LYS 32 Cb -0.17 -4.08 -0.04 0.00 -1.68 0.00 0.00 37.83 31.86 1xmo s LYS 32 CO -0.15 -1.56 -0.21 0.99 -0.76 0.00 0.00 175.35 173.66 1xmo s THR 33 N 5.81 2.16 0.00 2.17 2.01 -1.08 -5.00 115.64 121.71 1xmo s THR 33 Ca 0.70 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1xmo s THR 33 Cb -0.20 -2.03 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1xmo s THR 33 CO 0.31 -0.22 0.06 0.79 -0.69 0.00 0.00 174.62 174.87 1xmo n TRP 34 N 0.19 0.00 -3.13 4.92 8.01 -1.26 -3.12 117.44 123.05 1xmo n TRP 34 Ca -0.12 0.00 -0.45 0.00 -1.31 0.00 0.00 57.50 55.62 1xmo n TRP 34 Cb 0.57 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.86 1xmo n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1xmo s SER 35 N -0.58 7.11 0.00 -0.99 0.15 -1.26 -4.70 113.70 113.44 1xmo s SER 35 Ca 0.00 -3.13 0.20 0.00 0.70 0.00 0.00 55.95 53.71 1xmo s SER 35 Cb 0.00 -2.31 0.95 0.00 -1.71 0.00 0.00 66.02 62.95 1xmo s SER 35 CO 0.00 -0.58 1.63 -2.11 1.20 0.00 0.00 173.24 173.39 1xmo n ARG 36 N 4.41 0.18 0.21 5.44 1.85 -1.26 -1.99 116.66 125.50 1xmo n ARG 36 Ca 0.29 0.12 0.15 0.00 -1.00 0.00 0.00 57.85 57.41 1xmo n ARG 36 Cb 0.42 -1.50 0.60 0.00 -1.05 0.00 0.00 32.46 30.93 1xmo n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xmo h ARG 37 N 0.00 0.00 -7.22 2.89 2.47 -1.99 -3.04 114.38 107.49 1xmo h ARG 37 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 1xmo h ARG 37 Cb 0.25 0.00 0.07 0.00 -1.65 0.00 0.00 29.97 28.64 1xmo h ARG 37 CO 0.00 0.00 0.38 -1.54 0.56 0.00 0.00 179.97 179.37 1xmo s SER 38 N -5.08 5.70 0.63 7.04 1.04 -0.84 -4.79 113.70 117.40 1xmo s SER 38 Ca 0.03 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.26 1xmo s SER 38 Cb 0.09 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.76 1xmo s SER 38 CO 0.48 -1.22 0.87 -0.89 0.98 0.00 0.00 173.24 173.46 1xmo s THR 39 N -2.53 2.40 -0.28 2.02 2.01 -0.42 -2.75 115.64 116.08 1xmo s THR 39 Ca 0.63 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 62.00 1xmo s THR 39 Cb -0.16 -2.74 0.07 0.00 0.01 0.00 0.00 72.50 69.68 1xmo s THR 39 CO 0.40 0.00 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.64 1xmo s ILE 40 N -2.92 2.03 0.25 1.82 1.01 -1.22 -4.80 121.20 117.36 1xmo s ILE 40 Ca 0.62 -1.72 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1xmo s ILE 40 Cb -0.08 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1xmo s ILE 40 CO 0.41 -0.20 0.11 0.68 0.00 0.00 0.00 174.94 175.94 1xmo s VAL 41 N 1.13 4.05 0.00 2.92 -7.23 -1.26 0.83 120.40 120.83 1xmo s VAL 41 Ca -0.03 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1xmo s VAL 41 Cb -0.19 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.57 1xmo s VAL 41 CO -0.07 -0.35 0.27 -2.65 -0.31 0.00 0.00 175.10 172.00 1xmo n PRO 42 N -1.02 0.00 -0.69 4.82 -0.02 -1.26 -2.92 135.00 133.92 1xmo n PRO 42 Ca -0.07 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 1xmo n PRO 42 Cb 0.58 -0.44 -0.10 0.00 -0.02 0.00 0.00 33.50 33.52 1xmo n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xmo n GLU 43 N -1.58 0.01 0.00 -0.52 0.00 -1.26 -0.85 120.64 116.44 1xmo n GLU 43 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 57.16 56.30 1xmo n GLU 43 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 31.44 29.12 1xmo n GLU 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1xmo n MET 44 N 7.14 0.00 -0.67 3.44 1.56 -1.15 -4.85 117.12 122.59 1xmo n MET 44 Ca 0.37 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.49 1xmo n MET 44 Cb 0.40 0.00 0.18 0.00 2.15 0.00 0.00 33.22 35.94 1xmo n MET 44 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1xmo n VAL 45 N 0.00 0.00 0.00 1.12 0.31 -0.03 -2.86 118.33 116.87 1xmo n VAL 45 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1xmo n VAL 45 Cb 0.00 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1xmo n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xmo n GLY 46 N 1.43 0.35 3.68 2.92 0.00 -1.02 -4.89 105.19 107.66 1xmo n GLY 46 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1xmo n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xmo s HIS 47 N 0.00 2.07 -0.32 1.61 4.02 -1.14 -4.71 115.29 116.82 1xmo s HIS 47 Ca 0.00 0.05 -0.26 0.00 1.02 0.00 0.00 55.06 55.86 1xmo s HIS 47 Cb 0.00 -4.08 0.01 0.00 -1.02 0.00 0.00 32.58 27.49 1xmo s HIS 47 CO 0.00 -4.52 0.94 0.99 1.02 0.00 0.00 174.74 173.17 1xmo s THR 48 N 3.16 4.64 -0.19 1.30 2.01 -1.26 -3.26 115.64 122.04 1xmo s THR 48 Ca 0.79 1.44 -0.00 0.00 0.31 0.00 0.00 61.69 64.23 1xmo s THR 48 Cb -0.42 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 67.82 1xmo s THR 48 CO 0.35 -0.39 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.11 1xmo s ILE 49 N 3.33 2.37 -0.71 1.82 1.01 -0.23 -2.25 121.20 126.53 1xmo s ILE 49 Ca 0.39 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 1xmo s ILE 49 Cb -0.13 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.36 1xmo s ILE 49 CO 0.14 0.48 1.10 0.00 0.00 0.00 0.00 174.94 176.66 1xmo s ALA 50 N 1.32 2.98 0.26 9.38 0.00 -0.28 -0.09 121.76 135.34 1xmo s ALA 50 Ca 0.04 -1.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 1xmo s ALA 50 Cb -0.14 -4.03 -0.09 0.00 0.00 0.00 0.00 23.12 18.87 1xmo s ALA 50 CO -0.10 -2.99 0.82 0.08 0.00 0.00 0.00 175.76 173.56 1xmo s VAL 51 N 4.66 4.41 0.71 0.00 1.01 -0.17 -2.64 120.40 128.38 1xmo s VAL 51 Ca 0.28 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.71 1xmo s VAL 51 Cb -0.13 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.39 1xmo s VAL 51 CO 0.11 0.18 1.03 -0.47 0.00 0.00 0.00 175.10 175.95 1xmo s TYR 52 N -1.56 2.85 -0.11 5.22 5.04 -1.18 0.76 117.35 128.36 1xmo s TYR 52 Ca 0.46 0.42 0.17 0.00 -2.44 0.00 0.00 57.07 55.69 1xmo s TYR 52 Cb -0.18 -3.22 0.34 0.00 0.35 0.00 0.00 41.96 39.25 1xmo s TYR 52 CO 0.22 -1.46 1.17 0.27 -1.34 0.00 0.00 175.55 174.41 1xmo n ASN 53 N -2.95 0.28 0.00 4.32 0.23 -0.57 -4.83 115.26 111.74 1xmo n ASN 53 Ca 0.08 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 1xmo n ASN 53 Cb 0.60 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1xmo n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xmo n GLY 54 N -0.18 3.00 0.80 4.83 0.00 -1.26 -4.62 105.19 107.76 1xmo n GLY 54 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xmo n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xmo n LYS 55 N -2.00 0.00 -4.43 1.61 4.81 -1.26 -5.14 118.16 111.75 1xmo n LYS 55 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1xmo n LYS 55 Cb 0.00 -0.42 -0.10 0.00 0.02 0.00 0.00 35.03 34.54 1xmo n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1xmo s GLN 56 N -1.63 1.66 -0.75 1.64 -1.52 -1.26 -5.09 119.66 112.71 1xmo s GLN 56 Ca 0.00 -1.94 -0.05 0.00 -1.95 0.00 0.00 55.36 51.41 1xmo s GLN 56 Cb 0.00 -0.62 0.19 0.00 -0.22 0.00 0.00 33.01 32.37 1xmo s GLN 56 CO 0.00 -0.30 0.61 -1.01 -0.25 0.00 0.00 175.29 174.34 1xmo s HIS 57 N -3.40 3.62 -0.27 0.91 3.76 -1.26 -1.51 115.29 117.13 1xmo s HIS 57 Ca 0.34 -2.62 -0.29 0.00 -0.15 0.00 0.00 55.06 52.34 1xmo s HIS 57 Cb 0.07 -3.38 0.01 0.00 1.11 0.00 0.00 32.58 30.39 1xmo s HIS 57 CO 0.15 -0.86 1.18 0.14 -0.85 0.00 0.00 174.74 174.50 1xmo s VAL 58 N -0.34 4.37 0.06 -0.90 -7.23 0.23 -4.69 120.40 111.91 1xmo s VAL 58 Ca 0.20 1.60 -0.31 0.00 -1.81 0.00 0.00 61.98 61.67 1xmo s VAL 58 Cb -0.15 -4.24 -0.08 0.00 0.56 0.00 0.00 36.38 32.47 1xmo s VAL 58 CO -0.07 -0.37 1.72 -2.16 -0.31 0.00 0.00 175.10 173.91 1xmo s PRO 59 N 3.72 4.18 -0.24 4.82 0.04 -1.26 -1.00 135.00 145.25 1xmo s PRO 59 Ca 0.50 2.39 0.02 0.00 0.04 0.00 0.00 61.00 63.96 1xmo s PRO 59 Cb -0.16 -3.71 0.05 0.00 0.04 0.00 0.00 34.50 30.73 1xmo s PRO 59 CO 0.16 -0.79 -0.11 0.08 0.04 0.00 0.00 177.00 176.38 1xmo s VAL 60 N 3.03 2.05 -0.40 -0.36 1.01 0.87 -4.92 120.40 121.68 1xmo s VAL 60 Ca 0.77 -1.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1xmo s VAL 60 Cb -0.40 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 33.86 1xmo s VAL 60 CO 0.34 0.05 1.00 -0.47 0.00 0.00 0.00 175.10 176.02 1xmo s TYR 61 N 1.17 3.00 0.24 5.22 6.04 -1.26 -1.07 117.35 130.69 1xmo s TYR 61 Ca -0.06 0.76 -0.30 0.00 0.04 0.00 0.00 57.07 57.50 1xmo s TYR 61 Cb -0.19 -3.91 -0.09 0.00 -1.04 0.00 0.00 41.96 36.73 1xmo s TYR 61 CO -0.06 -0.98 0.96 0.42 -1.54 0.00 0.00 175.55 174.35 1xmo s ILE 62 N 3.80 4.01 0.17 3.14 1.09 -1.20 -5.02 121.20 127.20 1xmo s ILE 62 Ca 0.42 2.02 0.04 0.00 -1.10 0.00 0.00 60.65 62.03 1xmo s ILE 62 Cb -0.10 -4.29 -0.05 0.00 -1.06 0.00 0.00 42.46 36.96 1xmo s ILE 62 CO 0.23 0.48 -0.07 -0.89 -0.10 0.00 0.00 174.94 174.59 1xmo s THR 63 N -1.15 1.12 0.51 2.92 2.01 -1.26 -2.44 115.64 117.36 1xmo s THR 63 Ca 0.42 -2.05 0.26 0.00 0.31 0.00 0.00 61.69 60.62 1xmo s THR 63 Cb -0.27 -2.00 0.42 0.00 0.01 0.00 0.00 72.50 70.67 1xmo s THR 63 CO 0.33 -0.62 1.94 -0.08 -0.69 0.00 0.00 174.62 175.50 1xmo h GLU 64 N 2.69 0.07 0.32 4.92 4.57 -1.98 -2.00 114.58 123.17 1xmo h GLU 64 Ca -0.37 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1xmo h GLU 64 Cb 1.20 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1xmo h GLU 64 CO 0.64 0.04 -0.16 -0.91 -1.18 0.00 0.00 179.01 177.45 1xmo h ASN 65 N 0.07 -0.37 -0.07 1.04 2.35 -2.01 -3.19 115.58 113.40 1xmo h ASN 65 Ca 0.34 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1xmo h ASN 65 Cb 1.24 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 1xmo h ASN 65 CO -0.03 -0.08 0.03 1.15 -1.65 0.00 0.00 177.43 176.86 1xmo n MET 66 N -5.18 1.22 -2.69 0.81 0.00 -0.76 -4.86 117.12 105.66 1xmo n MET 66 Ca -0.10 -0.27 -0.42 0.00 0.00 0.00 0.00 57.70 56.91 1xmo n MET 66 Cb 0.25 -1.33 -0.03 0.00 0.00 0.00 0.00 33.22 32.11 1xmo n MET 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xmo s VAL 67 N -0.71 4.81 0.00 3.17 1.01 -1.18 -3.25 120.40 124.25 1xmo s VAL 67 Ca 0.05 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.05 1xmo s VAL 67 Cb 0.04 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1xmo s VAL 67 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1xmo n GLY 68 N 2.92 3.04 3.76 4.51 0.00 0.24 -4.97 105.19 114.69 1xmo n GLY 68 Ca 0.06 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1xmo n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xmo s HIS 69 N -0.65 3.24 0.86 1.61 3.76 -1.20 -4.39 115.29 118.52 1xmo s HIS 69 Ca 0.00 1.41 -0.11 0.00 -0.15 0.00 0.00 55.06 56.21 1xmo s HIS 69 Cb 0.00 -3.57 0.11 0.00 1.11 0.00 0.00 32.58 30.23 1xmo s HIS 69 CO 0.00 -1.58 1.11 0.15 -0.85 0.00 0.00 174.74 173.57 1xmo s LYS 70 N -1.11 1.53 0.07 1.40 -0.14 -1.26 -3.44 119.74 116.78 1xmo s LYS 70 Ca 0.51 1.24 -0.19 0.00 -1.36 0.00 0.00 55.97 56.17 1xmo s LYS 70 Cb -0.37 -1.81 -0.11 0.00 -1.68 0.00 0.00 37.83 33.86 1xmo s LYS 70 CO 0.45 -2.18 1.42 -0.07 -0.76 0.00 0.00 175.35 174.22 1xmo h LEU 71 N -1.52 0.46 0.00 3.17 4.07 -1.60 -3.05 115.31 116.83 1xmo h LEU 71 Ca -0.45 -0.41 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1xmo h LEU 71 Cb 1.26 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1xmo h LEU 71 CO 0.48 0.77 0.25 0.61 -1.08 0.00 0.00 178.44 179.47 1xmo n GLY 72 N -0.00 -0.13 0.10 0.83 0.00 -1.15 0.70 105.19 105.54 1xmo n GLY 72 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1xmo n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xmo n GLU 73 N -1.05 0.48 0.00 1.61 1.02 -1.15 -3.71 120.64 117.84 1xmo n GLU 73 Ca 0.00 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1xmo n GLU 73 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1xmo n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1xmo n PHE 74 N -1.08 0.00 -3.58 -0.32 3.01 0.22 -4.87 117.46 110.84 1xmo n PHE 74 Ca 0.11 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.17 1xmo n PHE 74 Cb 0.31 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.71 1xmo n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xmo s ALA 75 N -0.25 3.68 -0.09 4.37 0.00 -1.21 -4.95 121.76 123.31 1xmo s ALA 75 Ca 0.00 -3.12 -0.34 0.00 0.00 0.00 0.00 51.96 48.50 1xmo s ALA 75 Cb 0.00 -2.93 -0.11 0.00 0.00 0.00 0.00 23.12 20.07 1xmo s ALA 75 CO 0.00 -2.11 1.90 -0.35 0.00 0.00 0.00 175.76 175.20 1xmo n PRO 76 N 3.92 2.18 0.05 0.00 -0.04 -1.26 -4.89 135.00 134.96 1xmo n PRO 76 Ca 0.06 0.80 -0.11 0.00 -0.04 0.00 0.00 63.50 64.21 1xmo n PRO 76 Cb 0.41 -2.67 -0.13 0.00 -0.04 0.00 0.00 33.50 31.07 1xmo n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xmo h THR 77 N 5.55 1.33 -3.92 0.52 1.03 -1.89 -3.47 112.91 112.06 1xmo h THR 77 Ca -0.48 -3.04 -0.66 0.00 -0.01 0.00 0.00 66.41 62.22 1xmo h THR 77 Cb 1.27 2.74 -0.22 0.00 -1.07 0.00 0.00 68.15 70.87 1xmo h THR 77 CO 0.95 0.81 -0.86 -0.13 -0.01 0.00 0.00 175.52 176.29 1xmo s ARG 78 N -2.65 1.33 -0.47 0.00 0.52 -1.26 -5.03 118.95 111.38 1xmo s ARG 78 Ca -0.04 -1.30 -0.13 0.00 -0.52 0.00 0.00 55.73 53.74 1xmo s ARG 78 Cb 0.08 -1.77 0.09 0.00 0.52 0.00 0.00 34.95 33.88 1xmo s ARG 78 CO 0.84 0.42 0.38 0.99 0.02 0.00 0.00 175.30 177.94 1xmo s THR 79 N -1.09 4.85 0.21 0.02 2.01 -1.26 -5.07 115.64 115.32 1xmo s THR 79 Ca 0.12 -1.34 0.10 0.00 0.31 0.00 0.00 61.69 60.89 1xmo s THR 79 Cb -0.10 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1xmo s THR 79 CO 0.06 -0.65 -0.15 -0.47 -0.69 0.00 0.00 174.62 172.71 1xmo s TYR 80 N 1.54 2.47 0.00 4.92 5.04 -1.26 -5.33 117.35 124.73 1xmo s TYR 80 Ca 0.04 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 1xmo s TYR 80 Cb -0.25 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 40.88 1xmo s TYR 80 CO 0.04 0.56 0.00 -2.13 -1.34 0.00 0.00 175.55 172.67