#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d7n s SER 2 N 0.00 3.35 -0.25 1.61 0.01 -1.26 -5.15 113.70 112.01 2d7n s SER 2 Ca 0.00 -1.14 -0.20 0.00 1.31 0.00 0.00 55.95 55.92 2d7n s SER 2 Cb 0.00 -0.27 0.07 0.00 0.21 0.00 0.00 66.02 66.03 2d7n s SER 2 CO 0.00 -0.17 0.66 -0.44 0.41 0.00 0.00 173.24 173.70 2d7n s SER 3 N -3.52 -0.76 0.00 2.44 0.01 -1.26 -5.14 113.70 105.48 2d7n s SER 3 Ca 0.30 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2d7n s SER 3 Cb 0.01 1.34 0.00 0.00 0.21 0.00 0.00 66.02 67.57 2d7n s SER 3 CO 0.14 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2d7n n GLY 4 N 3.28 0.30 3.24 3.44 0.00 -1.26 -5.09 105.19 109.09 2d7n n GLY 4 Ca -0.16 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.90 2d7n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d7n s SER 5 N -4.00 0.18 -0.01 1.61 0.01 -1.26 -5.17 113.70 105.07 2d7n s SER 5 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 2d7n s SER 5 Cb 0.00 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 2d7n s SER 5 CO 0.00 -0.81 0.03 -0.44 0.41 0.00 0.00 173.24 172.43 2d7n s SER 6 N -3.01 5.34 -0.46 2.44 0.01 -1.26 -5.08 113.70 111.68 2d7n s SER 6 Ca 0.21 0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.61 2d7n s SER 6 Cb 0.06 -1.46 0.18 0.00 0.21 0.00 0.00 66.02 65.01 2d7n s SER 6 CO 0.01 0.29 0.64 -0.83 0.41 0.00 0.00 173.24 173.76 2d7n s GLY 7 N -1.56 -1.05 -0.09 3.44 0.00 -1.26 -5.08 107.32 101.72 2d7n s GLY 7 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.62 2d7n s GLY 7 CO 0.11 3.52 -0.07 1.08 0.00 0.00 0.00 173.10 177.73 2d7n s LEU 8 N 1.28 1.24 0.43 0.66 1.43 -1.26 -1.45 118.68 121.00 2d7n s LEU 8 Ca 0.23 -0.26 -0.24 0.00 -1.03 0.00 0.00 54.13 52.83 2d7n s LEU 8 Cb -0.03 -0.75 -0.10 0.00 0.03 0.00 0.00 46.19 45.34 2d7n s LEU 8 CO -0.06 -0.09 1.03 0.54 0.23 0.00 0.00 176.35 178.00 2d7n n ARG 9 N 4.61 1.38 -1.20 1.70 1.74 -1.23 -4.75 116.66 118.91 2d7n n ARG 9 Ca -0.16 0.49 -0.30 0.00 -0.77 0.00 0.00 57.85 57.12 2d7n n ARG 9 Cb 0.50 -2.07 0.14 0.00 -1.02 0.00 0.00 32.46 30.01 2d7n n ARG 9 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d7n s PRO 10 N -2.06 1.26 -0.48 5.56 0.04 -1.26 -4.67 135.00 133.40 2d7n s PRO 10 Ca 0.64 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 2d7n s PRO 10 Cb -0.55 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.30 2d7n s PRO 10 CO 0.56 -2.24 0.36 0.12 0.04 0.00 0.00 177.00 175.84 2d7n s PHE 11 N -2.93 3.38 -0.24 0.56 5.36 -0.30 -4.97 117.98 118.84 2d7n s PHE 11 Ca 0.63 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.90 2d7n s PHE 11 Cb -0.18 -3.47 0.03 0.00 -0.34 0.00 0.00 43.02 39.06 2d7n s PHE 11 CO 0.57 -0.97 -0.10 0.54 -1.46 0.00 0.00 175.22 173.79 2d7n s ASN 12 N 2.75 4.07 -0.13 6.13 2.20 -1.25 -2.50 114.94 126.22 2d7n s ASN 12 Ca 0.05 -0.94 -0.09 0.00 -0.94 0.00 0.00 52.86 50.94 2d7n s ASN 12 Cb -0.26 -1.60 0.04 0.00 -2.00 0.00 0.00 41.25 37.43 2d7n s ASN 12 CO 0.00 -0.11 0.31 -0.22 -2.94 0.00 0.00 177.10 174.15 2d7n s LEU 13 N 1.27 0.46 -0.31 3.54 2.96 -1.08 -4.99 118.68 120.53 2d7n s LEU 13 Ca -0.01 0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2d7n s LEU 13 Cb -0.17 1.03 -0.01 0.00 0.50 0.00 0.00 46.19 47.55 2d7n s LEU 13 CO -0.07 -0.15 0.14 -0.69 -1.32 0.00 0.00 176.35 174.26 2d7n s VAL 14 N 0.82 4.48 -0.16 1.68 1.01 -1.26 -0.91 120.40 126.07 2d7n s VAL 14 Ca -0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 2d7n s VAL 14 Cb -0.06 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 2d7n s VAL 14 CO -0.06 0.08 0.21 -0.63 0.00 0.00 0.00 175.10 174.70 2d7n s ILE 15 N 1.59 5.36 -1.03 2.22 1.01 -0.03 -4.90 121.20 125.42 2d7n s ILE 15 Ca 0.04 0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 2d7n s ILE 15 Cb -0.17 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 2d7n s ILE 15 CO 0.05 0.46 1.94 -2.16 0.00 0.00 0.00 174.94 175.24 2d7n s PRO 16 N 0.07 2.52 -0.18 2.79 0.04 -1.26 -1.41 135.00 137.57 2d7n s PRO 16 Ca 0.14 -0.69 -0.06 0.00 0.04 0.00 0.00 61.00 60.42 2d7n s PRO 16 Cb -0.12 -5.15 0.08 0.00 0.04 0.00 0.00 34.50 29.36 2d7n s PRO 16 CO 0.02 -3.66 0.37 0.12 0.04 0.00 0.00 177.00 173.89 2d7n s PHE 17 N 10.53 -0.68 0.05 0.56 5.36 -1.02 -4.97 117.98 127.80 2d7n s PHE 17 Ca 0.69 1.32 -0.30 0.00 -0.96 0.00 0.00 56.93 57.68 2d7n s PHE 17 Cb -0.04 0.19 -0.04 0.00 -0.34 0.00 0.00 43.02 42.78 2d7n s PHE 17 CO 0.06 -0.46 0.97 0.00 -1.46 0.00 0.00 175.22 174.33 2d7n s ALA 18 N 2.55 3.19 -0.43 11.12 0.00 -1.03 -3.52 121.76 133.66 2d7n s ALA 18 Ca -0.00 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.49 2d7n s ALA 18 Cb -0.12 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 19.80 2d7n s ALA 18 CO -0.12 -0.15 0.21 0.08 0.00 0.00 0.00 175.76 175.79 2d7n s VAL 19 N 0.59 3.19 -0.12 0.00 1.01 -1.26 -5.01 120.40 118.80 2d7n s VAL 19 Ca 0.50 -2.22 0.01 0.00 0.00 0.00 0.00 61.98 60.27 2d7n s VAL 19 Cb -0.22 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2d7n s VAL 19 CO 0.29 -0.70 -0.16 -1.10 0.00 0.00 0.00 175.10 173.42 2d7n s GLN 20 N 0.95 3.28 -0.54 2.72 -1.52 -1.26 -4.66 119.66 118.63 2d7n s GLN 20 Ca 0.10 -0.74 -0.07 0.00 -1.95 0.00 0.00 55.36 52.70 2d7n s GLN 20 Cb -0.22 -2.53 0.07 0.00 -0.22 0.00 0.00 33.01 30.11 2d7n s GLN 20 CO -0.04 0.21 0.17 1.63 -0.25 0.00 0.00 175.29 177.00 2d7n n LYS 21 N 3.52 -2.37 -4.41 2.91 4.76 -1.26 -4.86 118.16 116.45 2d7n n LYS 21 Ca -0.18 0.05 -0.20 0.00 -2.87 0.00 0.00 58.31 55.10 2d7n n LYS 21 Cb 0.53 -4.57 -0.10 0.00 -1.84 0.00 0.00 35.03 29.04 2d7n n LYS 21 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2d7n s GLY 22 N -2.35 1.90 -0.12 0.72 0.00 -1.26 -5.08 107.32 101.13 2d7n s GLY 22 Ca 0.23 -1.96 -0.03 0.00 0.00 0.00 0.00 44.72 42.96 2d7n s GLY 22 CO 0.29 -1.76 -0.01 1.85 0.00 0.00 0.00 173.10 173.47 2d7n s GLU 23 N -3.88 3.32 -0.25 2.90 2.56 -1.26 -4.94 118.70 117.14 2d7n s GLU 23 Ca 0.34 -0.45 0.01 0.00 0.00 0.00 0.00 54.97 54.87 2d7n s GLU 23 Cb 0.07 -2.87 0.05 0.00 2.00 0.00 0.00 34.13 33.38 2d7n s GLU 23 CO 0.13 0.49 -0.09 -1.17 -0.56 0.00 0.00 175.26 174.07 2d7n s LEU 24 N -0.31 3.30 0.36 2.70 2.96 -1.26 -1.44 118.68 124.99 2d7n s LEU 24 Ca 0.06 -1.17 0.04 0.00 -0.22 0.00 0.00 54.13 52.84 2d7n s LEU 24 Cb -0.12 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 2d7n s LEU 24 CO 0.02 -0.16 0.06 0.42 -1.32 0.00 0.00 176.35 175.37 2d7n s THR 25 N 1.20 1.14 0.06 3.68 -4.23 -0.74 -4.95 115.64 111.80 2d7n s THR 25 Ca -0.05 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.19 2d7n s THR 25 Cb -0.18 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.06 2d7n s THR 25 CO -0.05 0.00 1.14 -0.83 -0.54 0.00 0.00 174.62 174.34 2d7n s GLY 26 N -3.55 -0.33 -0.05 3.99 0.00 -1.26 -0.26 107.32 105.86 2d7n s GLY 26 Ca 0.32 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.36 2d7n s GLY 26 CO 0.15 0.07 0.26 1.85 0.00 0.00 0.00 173.10 175.44 2d7n s GLU 27 N -2.81 0.50 -0.03 2.90 2.12 -0.96 -4.29 118.70 116.12 2d7n s GLU 27 Ca 0.13 -0.00 0.06 0.00 0.36 0.00 0.00 54.97 55.52 2d7n s GLU 27 Cb 0.02 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 2d7n s GLU 27 CO -0.01 -0.11 -0.21 0.08 -0.54 0.00 0.00 175.26 174.47 2d7n s VAL 28 N -0.75 2.50 -0.23 3.70 1.01 -0.58 -1.75 120.40 124.30 2d7n s VAL 28 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2d7n s VAL 28 Cb -0.04 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2d7n s VAL 28 CO 0.02 0.58 -0.12 -0.60 0.00 0.00 0.00 175.10 174.99 2d7n s ARG 29 N -0.65 2.74 0.30 2.72 3.00 0.16 -1.20 118.95 126.03 2d7n s ARG 29 Ca 0.10 -1.02 -0.15 0.00 -1.00 0.00 0.00 55.73 53.66 2d7n s ARG 29 Cb -0.10 -2.82 -0.09 0.00 0.00 0.00 0.00 34.95 31.94 2d7n s ARG 29 CO -0.00 -0.38 0.72 0.00 0.00 0.00 0.00 175.30 175.64 2d7n s MET 30 N 1.25 4.00 0.10 5.12 0.23 -0.85 -2.54 119.30 126.62 2d7n s MET 30 Ca -0.01 0.65 0.18 0.00 -1.03 0.00 0.00 55.69 55.48 2d7n s MET 30 Cb -0.16 -2.49 0.75 0.00 -1.53 0.00 0.00 34.83 31.40 2d7n s MET 30 CO -0.07 0.19 1.55 -0.35 -2.03 0.00 0.00 175.02 174.31 2d7n n PRO 31 N -0.25 0.08 -0.06 3.16 -0.04 -1.26 -2.82 135.00 133.80 2d7n n PRO 31 Ca 0.03 0.32 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2d7n n PRO 31 Cb 0.53 -1.65 0.16 0.00 -0.04 0.00 0.00 33.50 32.50 2d7n n PRO 31 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2d7n h SER 32 N 0.00 0.68 0.00 3.54 0.87 -1.93 -3.46 113.55 113.25 2d7n h SER 32 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2d7n h SER 32 Cb 0.29 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2d7n h SER 32 CO 0.00 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.75 2d7n n GLY 33 N -0.45 1.31 2.73 5.77 0.00 -1.13 -5.15 105.19 108.27 2d7n n GLY 33 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2d7n n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d7n n LYS 34 N 0.00 0.37 -4.04 1.61 5.02 -1.25 -5.05 118.16 114.82 2d7n n LYS 34 Ca 0.00 -2.79 -0.13 0.00 -2.02 0.00 0.00 58.31 53.37 2d7n n LYS 34 Cb 0.00 2.32 -0.13 0.00 -0.02 0.00 0.00 35.03 37.20 2d7n n LYS 34 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2d7n s THR 35 N -3.11 0.29 -0.02 -0.18 -4.23 -1.26 -2.00 115.64 105.13 2d7n s THR 35 Ca 0.33 -0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2d7n s THR 35 Cb 0.01 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.56 2d7n s THR 35 CO 0.23 -0.12 -0.02 0.00 -0.54 0.00 0.00 174.62 174.17 2d7n s ALA 36 N -0.58 0.38 -0.14 3.99 0.00 -0.34 -5.00 121.76 120.06 2d7n s ALA 36 Ca -0.04 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 2d7n s ALA 36 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2d7n s ALA 36 CO -0.00 -0.01 1.31 0.50 0.00 0.00 0.00 175.76 177.56 2d7n s ARG 37 N 0.65 4.23 0.00 0.00 3.52 -1.26 -1.53 118.95 124.55 2d7n s ARG 37 Ca -0.07 1.73 0.00 0.00 -0.13 0.00 0.00 55.73 57.27 2d7n s ARG 37 Cb -0.10 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 2d7n s ARG 37 CO -0.01 -0.71 0.00 -0.35 -0.81 0.00 0.00 175.30 173.42 2d7n n PRO 38 N 6.61 0.09 -4.04 5.12 -0.04 -1.26 -4.94 135.00 136.53 2d7n n PRO 38 Ca 0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 2d7n n PRO 38 Cb 0.45 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.77 2d7n n PRO 38 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2d7n s ASN 39 N -1.51 0.47 -0.03 3.54 -0.87 -0.08 -4.98 114.94 111.48 2d7n s ASN 39 Ca 0.00 -0.22 0.01 0.00 -1.57 0.00 0.00 52.86 51.08 2d7n s ASN 39 Cb 0.00 -0.01 0.02 0.00 -0.02 0.00 0.00 41.25 41.24 2d7n s ASN 39 CO 0.00 -0.05 -0.03 -0.63 -2.57 0.00 0.00 177.10 173.82 2d7n s ILE 40 N -0.53 0.36 -0.63 0.60 1.01 -1.26 -0.30 121.20 120.46 2d7n s ILE 40 Ca -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2d7n s ILE 40 Cb -0.04 -0.39 0.16 0.00 0.01 0.00 0.00 42.46 42.20 2d7n s ILE 40 CO -0.00 0.17 0.50 -0.89 0.00 0.00 0.00 174.94 174.71 2d7n s THR 41 N 0.70 4.47 -0.10 2.92 2.01 -0.54 -4.98 115.64 120.13 2d7n s THR 41 Ca -0.08 -2.36 -0.32 0.00 0.31 0.00 0.00 61.69 59.24 2d7n s THR 41 Cb -0.11 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.43 2d7n s THR 41 CO -0.01 -0.88 2.01 -0.67 -0.69 0.00 0.00 174.62 174.37 2d7n n ASP 42 N 4.18 3.53 0.11 3.53 -0.08 -1.26 -3.56 116.55 123.00 2d7n n ASP 42 Ca 0.03 0.76 0.12 0.00 -1.51 0.00 0.00 54.79 54.18 2d7n n ASP 42 Cb 0.41 -1.44 0.02 0.00 2.34 0.00 0.00 41.12 42.45 2d7n n ASP 42 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 2d7n h ASN 43 N 11.05 0.00 -3.41 1.67 2.35 -1.96 -3.48 115.58 121.80 2d7n h ASN 43 Ca -0.46 -0.01 -0.26 0.00 -0.55 0.00 0.00 56.30 55.02 2d7n h ASN 43 Cb 1.26 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.60 2d7n h ASN 43 CO 0.95 0.01 -0.31 0.29 -1.65 0.00 0.00 177.43 176.72 2d7n n LYS 44 N -2.67 -2.05 -0.00 0.81 4.76 -1.26 -4.75 118.16 112.99 2d7n n LYS 44 Ca 0.00 0.64 0.01 0.00 -2.87 0.00 0.00 58.31 56.10 2d7n n LYS 44 Cb 0.54 -5.19 -0.02 0.00 -1.84 0.00 0.00 35.03 28.52 2d7n n LYS 44 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2d7n n ASP 45 N -1.61 3.56 0.00 4.39 -0.08 -1.26 -4.99 116.55 116.56 2d7n n ASP 45 Ca -0.15 -0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.02 2d7n n ASP 45 Cb 0.59 1.10 0.00 0.00 2.34 0.00 0.00 41.12 45.15 2d7n n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2d7n n GLY 46 N 2.10 0.33 3.37 0.27 0.00 -1.26 -5.03 105.19 104.96 2d7n n GLY 46 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 2d7n n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d7n s THR 47 N -0.12 0.55 0.01 2.61 -4.23 -1.23 -2.44 115.64 110.79 2d7n s THR 47 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2d7n s THR 47 Cb 0.00 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 2d7n s THR 47 CO 0.00 0.00 -0.04 0.27 -0.54 0.00 0.00 174.62 174.31 2d7n s ILE 48 N -3.56 0.26 -0.15 2.99 -4.36 -0.50 -3.78 121.20 112.10 2d7n s ILE 48 Ca 0.35 -0.33 -0.05 0.00 -0.26 0.00 0.00 60.65 60.36 2d7n s ILE 48 Cb 0.06 -0.26 -0.03 0.00 1.25 0.00 0.00 42.46 43.47 2d7n s ILE 48 CO 0.16 -0.05 0.01 -0.89 0.24 0.00 0.00 174.94 174.41 2d7n s THR 49 N -0.38 4.35 -0.18 8.37 2.01 -1.23 -0.85 115.64 127.73 2d7n s THR 49 Ca -0.02 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 2d7n s THR 49 Cb -0.03 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.54 2d7n s THR 49 CO -0.00 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.71 2d7n s VAL 50 N 0.10 3.75 -0.10 3.82 1.01 -0.09 -1.46 120.40 127.43 2d7n s VAL 50 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2d7n s VAL 50 Cb -0.13 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2d7n s VAL 50 CO 0.02 0.46 -0.12 -0.13 0.00 0.00 0.00 175.10 175.33 2d7n s ARG 51 N 0.77 1.81 -0.01 2.72 0.52 0.59 -2.63 118.95 122.72 2d7n s ARG 51 Ca -0.01 -0.41 -0.03 0.00 -0.52 0.00 0.00 55.73 54.76 2d7n s ARG 51 Cb -0.14 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.70 2d7n s ARG 51 CO 0.02 -0.11 0.08 -0.47 0.02 0.00 0.00 175.30 174.84 2d7n s TYR 52 N 1.13 0.02 -0.49 -0.53 5.04 -1.04 -0.90 117.35 120.57 2d7n s TYR 52 Ca -0.05 -0.02 -0.03 0.00 -2.44 0.00 0.00 57.07 54.53 2d7n s TYR 52 Cb -0.14 -0.04 0.13 0.00 0.35 0.00 0.00 41.96 42.26 2d7n s TYR 52 CO -0.02 -0.14 0.29 0.00 -1.34 0.00 0.00 175.55 174.34 2d7n s ALA 53 N -0.64 3.32 0.10 3.97 0.00 -1.26 -1.14 121.76 126.10 2d7n s ALA 53 Ca -0.07 -2.83 -0.31 0.00 0.00 0.00 0.00 51.96 48.75 2d7n s ALA 53 Cb -0.04 -2.50 -0.07 0.00 0.00 0.00 0.00 23.12 20.50 2d7n s ALA 53 CO 0.00 -1.92 1.37 -1.25 0.00 0.00 0.00 175.76 173.96 2d7n s PRO 54 N 0.65 4.33 0.03 0.00 0.04 -1.26 -4.93 135.00 133.85 2d7n s PRO 54 Ca 0.12 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.33 2d7n s PRO 54 Cb -0.22 -3.29 -0.18 0.00 0.04 0.00 0.00 34.50 30.86 2d7n s PRO 54 CO -0.04 -0.43 0.83 1.79 0.04 0.00 0.00 177.00 179.19 2d7n h THR 55 N 4.34 0.81 -3.31 1.26 1.35 -1.98 -3.42 112.91 111.96 2d7n h THR 55 Ca -0.42 -2.50 -0.36 0.00 -0.55 0.00 0.00 66.41 62.59 2d7n h THR 55 Cb 1.21 2.32 -0.15 0.00 -1.73 0.00 0.00 68.15 69.80 2d7n h THR 55 CO 0.86 0.46 -0.72 -1.61 -0.25 0.00 0.00 175.52 174.26 2d7n s GLU 56 N -2.75 1.10 0.72 4.72 2.02 -1.26 -4.90 118.70 118.36 2d7n s GLU 56 Ca -0.03 -1.46 -0.10 0.00 0.02 0.00 0.00 54.97 53.41 2d7n s GLU 56 Cb 0.08 -0.73 0.05 0.00 0.10 0.00 0.00 34.13 33.63 2d7n s GLU 56 CO 0.82 0.10 1.07 -1.59 0.02 0.00 0.00 175.26 175.68 2d7n s LYS 57 N -3.63 2.42 0.00 1.61 -2.85 -1.26 -4.86 119.74 111.17 2d7n s LYS 57 Ca 0.17 0.10 0.00 0.00 -1.00 0.00 0.00 55.97 55.24 2d7n s LYS 57 Cb 0.01 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2d7n s LYS 57 CO 0.02 -1.22 0.00 0.41 0.10 0.00 0.00 175.35 174.66 2d7n n GLY 58 N -3.02 2.26 3.72 0.59 0.00 -1.01 -4.84 105.19 102.88 2d7n n GLY 58 Ca 0.07 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2d7n n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d7n s LEU 59 N 0.00 4.38 0.06 0.99 2.96 -1.26 -2.51 118.68 123.30 2d7n s LEU 59 Ca 0.00 2.35 0.08 0.00 -0.22 0.00 0.00 54.13 56.34 2d7n s LEU 59 Cb 0.00 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2d7n s LEU 59 CO 0.00 -0.62 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.20 2d7n s HIS 60 N 0.80 2.48 -0.22 5.38 3.76 -0.72 -4.37 115.29 122.39 2d7n s HIS 60 Ca 0.62 -0.31 -0.08 0.00 -0.15 0.00 0.00 55.06 55.15 2d7n s HIS 60 Cb -0.37 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 2d7n s HIS 60 CO 0.33 0.24 0.09 -1.14 -0.85 0.00 0.00 174.74 173.41 2d7n s GLN 61 N -1.51 3.88 -0.10 1.40 0.74 -1.05 -3.32 119.66 119.68 2d7n s GLN 61 Ca 0.14 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.20 2d7n s GLN 61 Cb -0.10 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.69 2d7n s GLN 61 CO 0.05 0.05 -0.19 1.41 -0.55 0.00 0.00 175.29 176.07 2d7n s MET 62 N 0.99 2.55 -0.24 1.67 -2.45 -1.08 -0.66 119.30 120.07 2d7n s MET 62 Ca 0.05 -0.69 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 2d7n s MET 62 Cb -0.14 -2.04 0.06 0.00 1.25 0.00 0.00 34.83 33.96 2d7n s MET 62 CO 0.03 0.04 -0.05 0.20 1.05 0.00 0.00 175.02 176.29 2d7n s GLY 63 N 0.70 1.34 0.01 2.11 0.00 -0.72 -0.45 107.32 110.31 2d7n s GLY 63 Ca -0.12 -1.43 -0.09 0.00 0.00 0.00 0.00 44.72 43.08 2d7n s GLY 63 CO 0.03 0.92 0.31 -0.42 0.00 0.00 0.00 173.10 173.93 2d7n s ILE 64 N 1.36 5.22 0.11 0.90 -1.09 -1.26 -2.27 121.20 124.17 2d7n s ILE 64 Ca -0.05 0.37 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 2d7n s ILE 64 Cb -0.19 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2d7n s ILE 64 CO -0.07 0.41 -0.14 -0.54 -1.23 0.00 0.00 174.94 173.37 2d7n s LYS 65 N -1.60 0.99 -0.06 2.79 -0.14 0.64 -3.23 119.74 119.13 2d7n s LYS 65 Ca 0.27 -1.19 -0.01 0.00 -1.36 0.00 0.00 55.97 53.67 2d7n s LYS 65 Cb -0.14 -0.89 0.03 0.00 -1.68 0.00 0.00 37.83 35.15 2d7n s LYS 65 CO 0.15 0.18 0.01 -0.47 -0.76 0.00 0.00 175.35 174.45 2d7n s TYR 66 N -2.00 0.53 -0.11 3.18 5.04 0.84 -1.79 117.35 123.04 2d7n s TYR 66 Ca 0.07 -0.08 -0.00 0.00 -2.44 0.00 0.00 57.07 54.62 2d7n s TYR 66 Cb -0.06 -0.70 0.00 0.00 0.35 0.00 0.00 41.96 41.56 2d7n s TYR 66 CO 0.03 -0.27 0.01 -3.47 -1.34 0.00 0.00 175.55 170.50 2d7n n ASP 67 N 5.00 -1.23 -0.56 4.32 2.03 -0.52 0.36 116.55 125.95 2d7n n ASP 67 Ca -0.09 0.45 0.00 0.00 0.52 0.00 0.00 54.79 55.67 2d7n n ASP 67 Cb 0.50 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2d7n n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2d7n n GLY 68 N -0.53 0.69 3.54 0.27 0.00 -1.26 -5.02 105.19 102.88 2d7n n GLY 68 Ca -0.01 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 2d7n n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2d7n s ASN 69 N -2.57 -0.84 -0.50 1.61 2.47 0.16 -5.10 114.94 110.17 2d7n s ASN 69 Ca 0.00 1.36 -0.26 0.00 0.42 0.00 0.00 52.86 54.37 2d7n s ASN 69 Cb 0.00 1.27 -0.06 0.00 -1.45 0.00 0.00 41.25 41.00 2d7n s ASN 69 CO 0.00 -0.23 2.36 -1.00 -3.72 0.00 0.00 177.10 174.51 2d7n s HIS 70 N 1.64 1.12 0.64 0.43 3.76 -1.26 -0.11 115.29 121.51 2d7n s HIS 70 Ca -0.10 1.50 -0.17 0.00 -0.15 0.00 0.00 55.06 56.14 2d7n s HIS 70 Cb -0.06 -3.63 -0.11 0.00 1.11 0.00 0.00 32.58 29.89 2d7n s HIS 70 CO -0.18 -2.51 0.02 0.44 -0.85 0.00 0.00 174.74 171.66 2d7n n ILE 71 N 7.92 0.75 -2.05 0.60 -5.35 -1.20 -4.74 119.36 115.30 2d7n n ILE 71 Ca 0.35 -0.48 -0.29 0.00 -0.27 0.00 0.00 62.75 62.07 2d7n n ILE 71 Cb 0.55 -0.27 -0.05 0.00 -1.74 0.00 0.00 39.64 38.13 2d7n n ILE 71 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2d7n s PRO 72 N -1.73 2.57 0.00 6.28 0.04 -1.26 -2.67 135.00 138.22 2d7n s PRO 72 Ca 0.58 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2d7n s PRO 72 Cb -0.41 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.21 2d7n s PRO 72 CO 0.65 -3.25 0.00 0.41 0.04 0.00 0.00 177.00 174.86 2d7n n GLY 73 N 6.62 0.81 3.15 0.56 0.00 -1.26 -4.91 105.19 110.15 2d7n n GLY 73 Ca 0.36 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 2d7n n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d7n s SER 74 N -0.81 0.10 1.08 1.61 0.15 -1.09 -4.37 113.70 110.37 2d7n s SER 74 Ca 0.00 -0.44 -0.15 0.00 0.70 0.00 0.00 55.95 56.06 2d7n s SER 74 Cb 0.00 0.26 0.23 0.00 -1.71 0.00 0.00 66.02 64.79 2d7n s SER 74 CO 0.00 -0.52 1.10 -2.16 1.20 0.00 0.00 173.24 172.85 2d7n s PRO 75 N -2.52 -0.23 0.33 5.44 0.04 -1.26 -4.76 135.00 132.03 2d7n s PRO 75 Ca -0.06 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.32 2d7n s PRO 75 Cb -0.01 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 2d7n s PRO 75 CO -0.04 -3.13 0.07 -0.48 0.04 0.00 0.00 177.00 173.46 2d7n s LEU 76 N -6.66 2.14 -0.07 -3.56 0.05 0.41 -4.97 118.68 106.02 2d7n s LEU 76 Ca 0.67 -1.40 0.01 0.00 0.05 0.00 0.00 54.13 53.46 2d7n s LEU 76 Cb -0.16 -0.35 0.02 0.00 -2.05 0.00 0.00 46.19 43.66 2d7n s LEU 76 CO 0.57 -0.64 -0.08 -1.10 -0.55 0.00 0.00 176.35 174.55 2d7n s GLN 77 N -3.88 1.27 0.00 1.48 -0.21 -1.26 -2.65 119.66 114.41 2d7n s GLN 77 Ca 0.35 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.50 2d7n s GLN 77 Cb 0.08 -1.20 -0.00 0.00 1.00 0.00 0.00 33.01 32.89 2d7n s GLN 77 CO 0.15 -0.09 -0.01 -0.59 -2.12 0.00 0.00 175.29 172.63 2d7n s PHE 78 N 1.06 0.05 0.00 0.91 -0.71 -1.21 -5.00 117.98 113.08 2d7n s PHE 78 Ca -0.08 -0.09 -0.11 0.00 -1.04 0.00 0.00 56.93 55.60 2d7n s PHE 78 Cb -0.14 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.57 2d7n s PHE 78 CO -0.01 -0.03 0.35 -0.47 -1.34 0.00 0.00 175.22 173.72 2d7n s TYR 79 N -0.26 3.66 -0.19 3.49 5.04 -1.26 -1.76 117.35 126.07 2d7n s TYR 79 Ca -0.03 0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 55.39 2d7n s TYR 79 Cb -0.02 -2.17 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 2d7n s TYR 79 CO -0.00 0.62 -0.03 0.08 -1.34 0.00 0.00 175.55 174.88 2d7n s VAL 80 N -1.18 3.67 0.26 3.14 1.01 -1.04 -4.95 120.40 121.31 2d7n s VAL 80 Ca 0.25 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2d7n s VAL 80 Cb -0.15 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 2d7n s VAL 80 CO 0.13 0.45 -0.07 1.51 0.00 0.00 0.00 175.10 177.13 2d7n s ASP 81 N 0.93 2.57 0.74 3.32 -4.77 -1.26 -2.41 116.67 115.79 2d7n s ASP 81 Ca 0.00 -1.16 -0.15 0.00 -3.30 0.00 0.00 52.55 47.94 2d7n s ASP 81 Cb -0.15 -0.13 0.02 0.00 -1.09 0.00 0.00 42.92 41.57 2d7n s ASP 81 CO 0.01 -0.34 0.96 0.00 0.70 0.00 0.00 175.17 176.51 2d7n n ALA 82 N -0.51 -0.34 -2.46 2.11 0.00 -1.26 -3.52 120.51 114.53 2d7n n ALA 82 Ca -0.06 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2d7n n ALA 82 Cb 0.63 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 2d7n n ALA 82 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d7n s ILE 83 N -1.88 3.82 -0.10 0.00 1.01 -0.53 -4.67 121.20 118.85 2d7n s ILE 83 Ca 0.72 0.66 0.02 0.00 0.00 0.00 0.00 60.65 62.06 2d7n s ILE 83 Cb -0.33 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 37.54 2d7n s ILE 83 CO 0.51 -1.34 -0.18 0.21 0.00 0.00 0.00 174.94 174.14 2d7n s ASN 84 N 4.06 3.61 0.06 3.58 3.84 -1.26 -5.01 114.94 123.82 2d7n s ASN 84 Ca 0.47 -0.41 -0.10 0.00 0.21 0.00 0.00 52.86 53.03 2d7n s ASN 84 Cb -0.09 -1.37 0.01 0.00 -0.55 0.00 0.00 41.25 39.25 2d7n s ASN 84 CO 0.23 0.19 0.22 -0.94 -2.79 0.00 0.00 177.10 174.01 2d7n s SER 85 N 0.16 0.03 0.02 -4.21 1.04 -1.26 -5.08 113.70 104.41 2d7n s SER 85 Ca -0.10 -0.45 -0.29 0.00 0.48 0.00 0.00 55.95 55.59 2d7n s SER 85 Cb -0.16 0.33 -0.16 0.00 0.10 0.00 0.00 66.02 66.13 2d7n s SER 85 CO 0.06 -0.64 1.25 -0.09 0.98 0.00 0.00 173.24 174.79 2d7n h ARG 86 N 3.10 -0.88 -7.24 4.02 2.43 -2.07 -3.44 114.38 110.30 2d7n h ARG 86 Ca -0.33 0.06 -0.51 0.00 -0.81 0.00 0.00 59.98 58.39 2d7n h ARG 86 Cb 1.20 0.20 0.12 0.00 -0.42 0.00 0.00 29.97 31.07 2d7n h ARG 86 CO 0.51 -0.55 0.35 -1.01 -1.51 0.00 0.00 179.97 177.75 2d7n s HIS 87 N -5.00 2.54 -0.12 2.20 3.76 -1.26 -4.99 115.29 112.42 2d7n s HIS 87 Ca -0.15 1.56 -0.20 0.00 -0.15 0.00 0.00 55.06 56.12 2d7n s HIS 87 Cb 0.02 -3.15 -0.26 0.00 1.11 0.00 0.00 32.58 30.30 2d7n s HIS 87 CO 0.49 -1.82 0.58 0.77 -0.85 0.00 0.00 174.74 173.91 2d7n h SER 88 N -0.49 0.26 -1.24 1.40 0.02 -2.06 -3.50 113.55 107.94 2d7n h SER 88 Ca -0.45 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 59.66 2d7n h SER 88 Cb 1.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2d7n h SER 88 CO 0.52 1.45 0.00 0.61 -1.14 0.00 0.00 176.83 178.28 2d7n n GLY 89 N 1.65 0.78 3.77 -3.77 0.00 -1.26 -5.07 105.19 101.30 2d7n n GLY 89 Ca -0.22 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2d7n n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d7n s PRO 90 N -2.41 3.80 0.31 1.61 0.04 -1.26 -5.06 135.00 132.03 2d7n s PRO 90 Ca 0.00 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.88 2d7n s PRO 90 Cb 0.00 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 2d7n s PRO 90 CO 0.00 -0.52 0.00 -1.54 0.04 0.00 0.00 177.00 174.98 2d7n s SER 91 N -1.32 2.69 -0.53 6.66 1.04 -1.26 -5.06 113.70 115.92 2d7n s SER 91 Ca 0.63 -1.29 -0.26 0.00 0.48 0.00 0.00 55.95 55.50 2d7n s SER 91 Cb -0.29 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 65.61 2d7n s SER 91 CO 0.35 -0.47 2.34 -0.55 0.98 0.00 0.00 173.24 175.89 2d7n s SER 92 N -3.49 4.51 0.00 7.02 0.15 -1.26 -5.33 113.70 115.30 2d7n s SER 92 Ca 0.33 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.89 2d7n s SER 92 Cb 0.07 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2d7n s SER 92 CO 0.14 -2.88 0.00 0.61 1.20 0.00 0.00 173.24 172.31