#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 4.83 0.62 1.61 0.01 -1.26 -5.10 113.70 114.41 2d7n s SER 2 Ca 0.00 -0.23 -0.08 0.00 1.31 0.00 0.00 55.95 56.95 2d7n s SER 2 Cb 0.00 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.84 2d7n s SER 2 CO 0.00 -1.49 0.96 -0.44 0.41 0.00 0.00 173.24 172.68 2d7n s SER 3 N -4.59 5.60 0.75 2.44 0.01 -1.26 -5.09 113.70 111.56 2d7n s SER 3 Ca 0.62 0.87 -0.06 0.00 1.31 0.00 0.00 55.95 58.69 2d7n s SER 3 Cb -0.08 -1.82 0.11 0.00 0.21 0.00 0.00 66.02 64.44 2d7n s SER 3 CO 0.41 -1.12 1.05 -0.83 0.41 0.00 0.00 173.24 173.16 2d7n s GLY 4 N -4.31 1.75 -0.45 3.44 0.00 -1.26 -5.07 107.32 101.42 2d7n s GLY 4 Ca 0.55 -1.30 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2d7n s GLY 4 CO 0.47 -0.78 0.25 -0.45 0.00 0.00 0.00 173.10 172.60 2d7n s SER 5 N -4.66 3.54 0.04 1.64 0.15 -1.26 -5.10 113.70 108.05 2d7n s SER 5 Ca 0.65 -2.68 0.03 0.00 0.70 0.00 0.00 55.95 54.65 2d7n s SER 5 Cb -0.07 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.22 2d7n s SER 5 CO 0.46 -0.26 -0.09 -0.55 1.20 0.00 0.00 173.24 174.00 2d7n s SER 6 N 0.30 1.07 -0.25 5.45 0.15 -1.26 -5.13 113.70 114.02 2d7n s SER 6 Ca 0.19 -0.49 -0.04 0.00 0.70 0.00 0.00 55.95 56.31 2d7n s SER 6 Cb -0.22 -0.01 0.09 0.00 -1.71 0.00 0.00 66.02 64.17 2d7n s SER 6 CO -0.02 -0.12 0.13 -0.83 1.20 0.00 0.00 173.24 173.61 2d7n s GLY 7 N -1.36 0.38 -0.05 9.45 0.00 -1.26 -5.12 107.32 109.36 2d7n s GLY 7 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 43.98 2d7n s GLY 7 CO 0.01 2.00 -0.15 1.08 0.00 0.00 0.00 173.10 176.05 2d7n s LEU 8 N 2.14 1.81 0.45 0.66 1.43 -1.26 -2.15 118.68 121.76 2d7n s LEU 8 Ca 0.07 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 2d7n s LEU 8 Cb -0.16 -0.88 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 2d7n s LEU 8 CO -0.27 0.10 1.43 -0.13 0.23 0.00 0.00 176.35 177.71 2d7n s ARG 9 N 0.31 3.66 0.92 1.70 0.52 -1.23 -4.82 118.95 120.01 2d7n s ARG 9 Ca -0.08 2.42 -0.12 0.00 -0.52 0.00 0.00 55.73 57.43 2d7n s ARG 9 Cb -0.13 -2.64 0.15 0.00 0.52 0.00 0.00 34.95 32.84 2d7n s ARG 9 CO 0.03 -0.84 1.09 -1.25 0.02 0.00 0.00 175.30 174.35 2d7n s PRO 10 N -2.47 1.02 -0.54 3.54 0.04 -1.26 -4.67 135.00 130.65 2d7n s PRO 10 Ca 0.61 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.30 2d7n s PRO 10 Cb -0.44 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.45 2d7n s PRO 10 CO 0.56 -2.38 0.42 0.12 0.04 0.00 0.00 177.00 175.77 2d7n s PHE 11 N -2.94 3.46 -0.28 0.56 5.36 -0.36 -4.98 117.98 118.80 2d7n s PHE 11 Ca 0.64 -1.97 0.02 0.00 -0.96 0.00 0.00 56.93 54.65 2d7n s PHE 11 Cb -0.18 -3.52 0.06 0.00 -0.34 0.00 0.00 43.02 39.04 2d7n s PHE 11 CO 0.57 -0.98 -0.06 0.54 -1.46 0.00 0.00 175.22 173.83 2d7n s ASN 12 N 2.39 4.61 0.03 6.13 2.20 -1.25 -2.61 114.94 126.44 2d7n s ASN 12 Ca 0.09 -1.44 -0.05 0.00 -0.94 0.00 0.00 52.86 50.52 2d7n s ASN 12 Cb -0.24 -1.61 -0.01 0.00 -2.00 0.00 0.00 41.25 37.40 2d7n s ASN 12 CO -0.02 -0.23 0.08 -0.22 -2.94 0.00 0.00 177.10 173.77 2d7n s LEU 13 N 1.13 1.86 -0.25 3.54 2.96 -1.12 -4.98 118.68 121.81 2d7n s LEU 13 Ca -0.06 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2d7n s LEU 13 Cb -0.20 0.53 0.06 0.00 0.50 0.00 0.00 46.19 47.07 2d7n s LEU 13 CO -0.04 -0.46 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.72 2d7n s VAL 14 N -2.33 2.18 -0.10 1.68 1.01 -1.26 -0.23 120.40 121.35 2d7n s VAL 14 Ca -0.07 -1.56 -0.17 0.00 0.00 0.00 0.00 61.98 60.18 2d7n s VAL 14 Cb -0.03 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2d7n s VAL 14 CO -0.03 0.03 0.43 -0.63 0.00 0.00 0.00 175.10 174.90 2d7n s ILE 15 N 1.12 5.16 -0.98 2.22 1.01 0.10 -4.88 121.20 124.96 2d7n s ILE 15 Ca -0.07 0.87 -0.24 0.00 0.00 0.00 0.00 60.65 61.20 2d7n s ILE 15 Cb -0.19 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 2d7n s ILE 15 CO -0.06 0.40 1.95 -2.16 0.00 0.00 0.00 174.94 175.06 2d7n s PRO 16 N 0.20 2.53 -0.23 2.79 0.04 -1.26 -1.41 135.00 137.66 2d7n s PRO 16 Ca 0.24 -0.54 -0.07 0.00 0.04 0.00 0.00 61.00 60.67 2d7n s PRO 16 Cb -0.15 -5.11 0.11 0.00 0.04 0.00 0.00 34.50 29.38 2d7n s PRO 16 CO 0.10 -3.56 0.48 0.12 0.04 0.00 0.00 177.00 174.18 2d7n s PHE 17 N 10.39 -0.97 0.27 0.56 5.36 -1.15 -4.97 117.98 127.46 2d7n s PHE 17 Ca 0.70 1.67 -0.29 0.00 -0.96 0.00 0.00 56.93 58.04 2d7n s PHE 17 Cb -0.05 0.41 -0.09 0.00 -0.34 0.00 0.00 43.02 42.95 2d7n s PHE 17 CO 0.03 -0.57 1.01 0.00 -1.46 0.00 0.00 175.22 174.24 2d7n s ALA 18 N 2.69 3.35 -0.21 11.12 0.00 -1.23 -3.61 121.76 133.86 2d7n s ALA 18 Ca -0.00 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 2d7n s ALA 18 Cb -0.12 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 2d7n s ALA 18 CO -0.15 0.03 -0.06 0.08 0.00 0.00 0.00 175.76 175.67 2d7n s VAL 19 N -1.22 3.27 -0.33 0.00 1.01 -1.26 -5.00 120.40 116.87 2d7n s VAL 19 Ca 0.44 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2d7n s VAL 19 Cb -0.28 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.71 2d7n s VAL 19 CO 0.35 0.44 0.03 -1.10 0.00 0.00 0.00 175.10 174.82 2d7n s GLN 20 N 1.41 1.74 -1.25 2.72 1.11 -1.26 -4.76 119.66 119.37 2d7n s GLN 20 Ca 0.05 -1.73 -0.16 0.00 0.01 0.00 0.00 55.36 53.53 2d7n s GLN 20 Cb -0.14 -3.18 0.16 0.00 -1.01 0.00 0.00 33.01 28.84 2d7n s GLN 20 CO -0.04 -0.86 0.40 0.36 0.01 0.00 0.00 175.29 175.16 2d7n n LYS 21 N 4.34 -0.92 -4.05 2.91 2.85 -1.26 -4.86 118.16 117.18 2d7n n LYS 21 Ca -0.01 0.09 -0.24 0.00 -1.05 0.00 0.00 58.31 57.10 2d7n n LYS 21 Cb 0.42 -3.35 -0.07 0.00 -0.65 0.00 0.00 35.03 31.38 2d7n n LYS 21 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2d7n s GLY 22 N -2.51 2.24 -0.37 2.58 0.00 -1.26 -5.10 107.32 102.89 2d7n s GLY 22 Ca 0.55 -2.03 -0.16 0.00 0.00 0.00 0.00 44.72 43.08 2d7n s GLY 22 CO 0.68 -1.86 0.39 1.85 0.00 0.00 0.00 173.10 174.17 2d7n s GLU 23 N -3.92 3.39 -0.43 2.90 2.12 -1.26 -4.93 118.70 116.56 2d7n s GLU 23 Ca 0.41 -0.54 -0.07 0.00 0.36 0.00 0.00 54.97 55.13 2d7n s GLU 23 Cb 0.02 -3.87 0.10 0.00 0.26 0.00 0.00 34.13 30.64 2d7n s GLU 23 CO 0.23 -0.65 0.27 -1.17 -0.54 0.00 0.00 175.26 173.40 2d7n s LEU 24 N 2.07 5.32 0.32 2.70 2.96 -1.26 -0.23 118.68 130.56 2d7n s LEU 24 Ca 0.12 -1.76 0.10 0.00 -0.22 0.00 0.00 54.13 52.36 2d7n s LEU 24 Cb -0.17 -1.95 -0.06 0.00 0.50 0.00 0.00 46.19 44.52 2d7n s LEU 24 CO 0.12 -0.59 -0.08 0.42 -1.32 0.00 0.00 176.35 174.91 2d7n s THR 25 N 1.33 2.53 0.29 3.68 -4.23 -0.61 -4.94 115.64 113.69 2d7n s THR 25 Ca 0.05 -2.15 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 2d7n s THR 25 Cb -0.24 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 70.99 2d7n s THR 25 CO -0.01 -0.26 0.67 -0.83 -0.54 0.00 0.00 174.62 173.65 2d7n s GLY 26 N -3.63 0.18 0.08 3.99 0.00 -1.26 0.50 107.32 107.18 2d7n s GLY 26 Ca 0.33 -0.55 -0.10 0.00 0.00 0.00 0.00 44.72 44.40 2d7n s GLY 26 CO 0.17 -0.28 0.21 1.85 0.00 0.00 0.00 173.10 175.06 2d7n s GLU 27 N -3.64 0.82 -0.01 2.90 2.12 -0.89 -4.23 118.70 115.76 2d7n s GLU 27 Ca 0.15 -0.84 0.03 0.00 0.36 0.00 0.00 54.97 54.67 2d7n s GLU 27 Cb -0.05 0.34 -0.00 0.00 0.26 0.00 0.00 34.13 34.68 2d7n s GLU 27 CO 0.09 -0.26 -0.10 0.08 -0.54 0.00 0.00 175.26 174.52 2d7n s VAL 28 N -3.46 0.84 -0.09 3.70 1.01 0.34 -2.07 120.40 120.66 2d7n s VAL 28 Ca 0.02 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2d7n s VAL 28 Cb 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 2d7n s VAL 28 CO -0.09 0.25 -0.19 -0.60 0.00 0.00 0.00 175.10 174.46 2d7n s ARG 29 N -0.12 2.96 0.13 2.72 6.06 -0.65 -1.15 118.95 128.90 2d7n s ARG 29 Ca 0.02 -0.80 0.05 0.00 -2.50 0.00 0.00 55.73 52.50 2d7n s ARG 29 Cb -0.06 -2.39 -0.04 0.00 0.06 0.00 0.00 34.95 32.53 2d7n s ARG 29 CO -0.00 0.30 0.08 0.00 -2.50 0.00 0.00 175.30 173.18 2d7n s MET 30 N 0.07 2.78 0.00 5.12 0.23 -1.03 -2.81 119.30 123.65 2d7n s MET 30 Ca -0.08 -0.84 0.15 0.00 -1.03 0.00 0.00 55.69 53.88 2d7n s MET 30 Cb -0.15 -2.62 0.77 0.00 -1.53 0.00 0.00 34.83 31.30 2d7n s MET 30 CO 0.05 0.51 1.40 -0.35 -2.03 0.00 0.00 175.02 174.60 2d7n n PRO 31 N 0.06 0.24 0.04 3.16 -0.04 -1.26 -2.74 135.00 134.46 2d7n n PRO 31 Ca -0.09 0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 2d7n n PRO 31 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 2d7n n PRO 31 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2d7n h SER 32 N 0.00 0.63 0.00 3.54 4.64 -1.96 -3.47 113.55 116.93 2d7n h SER 32 Ca 0.00 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2d7n h SER 32 Cb 0.12 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2d7n h SER 32 CO 0.00 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2d7n n GLY 33 N 0.71 0.91 3.02 -0.77 0.00 -1.11 -5.14 105.19 102.81 2d7n n GLY 33 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 0.76 -3.95 1.61 5.02 -1.26 -5.04 118.16 115.30 2d7n n LYS 34 Ca 0.00 -3.09 -0.10 0.00 -2.02 0.00 0.00 58.31 53.10 2d7n n LYS 34 Cb 0.00 1.30 -0.11 0.00 -0.02 0.00 0.00 35.03 36.20 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 -2.76 0.10 0.03 -0.18 -4.23 -1.26 -2.46 115.64 104.88 2d7n s THR 35 Ca 0.10 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 2d7n s THR 35 Cb 0.00 -0.27 -0.02 0.00 1.34 0.00 0.00 72.50 73.55 2d7n s THR 35 CO 0.07 -0.44 -0.05 0.00 -0.54 0.00 0.00 174.62 173.66 2d7n s ALA 36 N -1.33 0.33 -0.26 3.99 0.00 -0.30 -5.00 121.76 119.18 2d7n s ALA 36 Ca -0.15 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 2d7n s ALA 36 Cb -0.09 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2d7n s ALA 36 CO -0.00 -0.09 0.67 0.50 0.00 0.00 0.00 175.76 176.83 2d7n s ARG 37 N -1.45 4.08 0.00 0.00 3.52 -1.26 -0.51 118.95 123.33 2d7n s ARG 37 Ca -0.13 0.57 0.00 0.00 -0.13 0.00 0.00 55.73 56.04 2d7n s ARG 37 Cb -0.10 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 2d7n s ARG 37 CO -0.00 -0.47 0.00 -0.35 -0.81 0.00 0.00 175.30 173.67 2d7n n PRO 38 N 5.81 0.25 -3.94 5.12 -0.04 -1.26 -4.96 135.00 135.99 2d7n n PRO 38 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2d7n n PRO 38 Cb 0.49 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.15 -0.03 3.54 0.01 -0.00 -4.95 114.94 112.15 2d7n s ASN 39 Ca 0.00 -0.32 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 2d7n s ASN 39 Cb 0.00 0.08 0.02 0.00 0.41 0.00 0.00 41.25 41.76 2d7n s ASN 39 CO 0.00 -0.21 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.74 2d7n s ILE 40 N -1.00 0.22 -0.66 0.60 1.01 -1.26 -0.22 121.20 119.90 2d7n s ILE 40 Ca -0.11 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 2d7n s ILE 40 Cb -0.07 -0.29 0.17 0.00 0.01 0.00 0.00 42.46 42.28 2d7n s ILE 40 CO -0.01 0.14 0.57 -0.89 0.00 0.00 0.00 174.94 174.76 2d7n s THR 41 N 0.84 4.96 -0.01 2.92 2.01 -0.24 -4.97 115.64 121.15 2d7n s THR 41 Ca -0.09 -2.17 -0.31 0.00 0.31 0.00 0.00 61.69 59.43 2d7n s THR 41 Cb -0.12 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 2d7n s THR 41 CO -0.01 -0.92 1.96 -0.67 -0.69 0.00 0.00 174.62 174.29 2d7n n ASP 42 N 4.40 3.92 -0.03 3.53 -0.08 -1.26 -3.45 116.55 123.57 2d7n n ASP 42 Ca 0.02 0.90 0.01 0.00 -1.51 0.00 0.00 54.79 54.21 2d7n n ASP 42 Cb 0.43 -1.48 -0.14 0.00 2.34 0.00 0.00 41.12 42.27 2d7n n ASP 42 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2d7n n ASN 43 N 7.41 0.20 -2.25 1.67 3.02 -1.25 -4.97 115.26 119.09 2d7n n ASN 43 Ca 0.21 0.09 -0.17 0.00 -0.03 0.00 0.00 54.58 54.67 2d7n n ASN 43 Cb 0.37 1.20 -0.02 0.00 -0.61 0.00 0.00 39.78 40.72 2d7n n ASN 43 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d7n n LYS 44 N -2.59 -1.80 0.00 3.52 4.76 -1.26 -4.80 118.16 115.98 2d7n n LYS 44 Ca -0.16 0.88 0.02 0.00 -2.87 0.00 0.00 58.31 56.19 2d7n n LYS 44 Cb 0.85 -5.47 0.01 0.00 -1.84 0.00 0.00 35.03 28.59 2d7n n LYS 44 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2d7n n ASP 45 N -1.76 1.22 0.00 4.39 9.92 -1.26 -4.96 116.55 124.11 2d7n n ASP 45 Ca -0.20 -1.11 0.00 0.00 -0.53 0.00 0.00 54.79 52.95 2d7n n ASP 45 Cb 0.64 0.16 0.00 0.00 -0.64 0.00 0.00 41.12 41.28 2d7n n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2d7n n GLY 46 N 0.41 1.03 3.25 0.44 0.00 -1.26 -5.05 105.19 103.99 2d7n n GLY 46 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 0.10 0.00 2.61 -4.23 -1.24 -2.95 115.64 107.93 2d7n s THR 47 Ca 0.00 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 2d7n s THR 47 Cb 0.00 -1.74 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 2d7n s THR 47 CO 0.00 -0.47 -0.12 0.27 -0.54 0.00 0.00 174.62 173.75 2d7n s ILE 48 N -3.96 0.97 -0.13 2.99 -4.36 -0.50 -3.87 121.20 112.34 2d7n s ILE 48 Ca 0.15 -0.61 -0.05 0.00 -0.26 0.00 0.00 60.65 59.87 2d7n s ILE 48 Cb 0.05 -0.83 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 2d7n s ILE 48 CO -0.03 0.21 0.05 -0.89 0.24 0.00 0.00 174.94 174.51 2d7n s THR 49 N -0.41 4.70 -0.11 8.37 2.01 -1.22 -0.72 115.64 128.26 2d7n s THR 49 Ca 0.04 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.94 2d7n s THR 49 Cb -0.05 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2d7n s THR 49 CO -0.00 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 2d7n s VAL 50 N -0.36 3.75 -0.07 3.82 1.01 0.68 -1.07 120.40 128.16 2d7n s VAL 50 Ca 0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2d7n s VAL 50 Cb -0.12 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.70 2d7n s VAL 50 CO 0.02 0.55 -0.01 -0.13 0.00 0.00 0.00 175.10 175.53 2d7n s ARG 51 N -0.26 0.68 -0.03 2.72 0.52 0.70 -2.81 118.95 120.47 2d7n s ARG 51 Ca 0.04 0.07 -0.03 0.00 -0.52 0.00 0.00 55.73 55.28 2d7n s ARG 51 Cb -0.13 -0.99 0.01 0.00 0.52 0.00 0.00 34.95 34.36 2d7n s ARG 51 CO 0.02 -0.28 0.09 -0.47 0.02 0.00 0.00 175.30 174.69 2d7n s TYR 52 N 1.86 -0.09 -0.53 -0.53 5.04 -1.07 -0.82 117.35 121.20 2d7n s TYR 52 Ca 0.04 0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.83 2d7n s TYR 52 Cb -0.12 0.03 0.14 0.00 0.35 0.00 0.00 41.96 42.35 2d7n s TYR 52 CO -0.05 -0.06 0.36 0.00 -1.34 0.00 0.00 175.55 174.46 2d7n s ALA 53 N -0.05 3.43 0.06 3.97 0.00 -1.26 -1.22 121.76 126.69 2d7n s ALA 53 Ca -0.01 -2.85 -0.31 0.00 0.00 0.00 0.00 51.96 48.80 2d7n s ALA 53 Cb -0.01 -2.67 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 2d7n s ALA 53 CO 0.00 -1.97 1.40 -1.25 0.00 0.00 0.00 175.76 173.94 2d7n s PRO 54 N 0.70 4.30 0.01 0.00 0.04 -1.26 -4.94 135.00 133.85 2d7n s PRO 54 Ca 0.11 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 2d7n s PRO 54 Cb -0.22 -3.41 -0.34 0.00 0.04 0.00 0.00 34.50 30.57 2d7n s PRO 54 CO -0.03 -0.50 0.90 1.15 0.04 0.00 0.00 177.00 178.56 2d7n h THR 55 N 4.58 1.18 -1.22 1.26 2.02 -1.97 -3.43 112.91 115.33 2d7n h THR 55 Ca -0.40 -2.65 -0.60 0.00 0.77 0.00 0.00 66.41 63.53 2d7n h THR 55 Cb 1.20 2.96 -0.09 0.00 -1.74 0.00 0.00 68.15 70.48 2d7n h THR 55 CO 0.88 0.83 -0.48 -1.61 0.37 0.00 0.00 175.52 175.50 2d7n s GLU 56 N -2.59 2.19 -0.10 6.66 0.41 -1.26 -4.87 118.70 119.13 2d7n s GLU 56 Ca -0.11 -2.01 -0.04 0.00 -0.41 0.00 0.00 54.97 52.40 2d7n s GLU 56 Cb 0.04 -1.87 -0.04 0.00 -1.78 0.00 0.00 34.13 30.49 2d7n s GLU 56 CO 0.92 -0.23 0.06 -1.59 -0.49 0.00 0.00 175.26 173.93 2d7n s LYS 57 N -3.93 3.17 0.00 1.61 -2.85 -1.26 -4.89 119.74 111.59 2d7n s LYS 57 Ca 0.33 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 55.00 2d7n s LYS 57 Cb 0.03 -2.96 0.00 0.00 -2.06 0.00 0.00 37.83 32.85 2d7n s LYS 57 CO 0.18 0.73 0.00 0.41 0.10 0.00 0.00 175.35 176.77 2d7n n GLY 58 N 2.05 -0.13 3.70 0.59 0.00 -1.14 -4.94 105.19 105.33 2d7n n GLY 58 Ca -0.19 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 4.34 0.06 0.99 2.96 -1.26 -2.05 118.68 123.72 2d7n s LEU 59 Ca 0.00 2.07 0.09 0.00 -0.22 0.00 0.00 54.13 56.07 2d7n s LEU 59 Cb 0.00 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 2d7n s LEU 59 CO 0.00 -0.58 -0.25 -1.00 -1.32 0.00 0.00 176.35 173.20 2d7n s HIS 60 N 1.58 2.20 -0.22 5.38 3.76 -1.03 -4.27 115.29 122.68 2d7n s HIS 60 Ca 0.61 -0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 55.05 2d7n s HIS 60 Cb -0.31 -1.29 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 2d7n s HIS 60 CO 0.28 0.16 0.05 -1.14 -0.85 0.00 0.00 174.74 173.23 2d7n s GLN 61 N -1.38 3.70 -0.20 1.40 0.74 -1.12 -3.13 119.66 119.66 2d7n s GLN 61 Ca 0.11 -0.47 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 2d7n s GLN 61 Cb -0.10 -3.23 -0.00 0.00 1.10 0.00 0.00 33.01 30.78 2d7n s GLN 61 CO 0.03 -0.05 -0.09 1.41 -0.55 0.00 0.00 175.29 176.04 2d7n s MET 62 N 1.22 3.28 -0.27 1.67 -2.45 -0.92 -1.63 119.30 120.19 2d7n s MET 62 Ca 0.04 -0.68 0.03 0.00 -1.25 0.00 0.00 55.69 53.83 2d7n s MET 62 Cb -0.14 -2.87 0.07 0.00 1.25 0.00 0.00 34.83 33.13 2d7n s MET 62 CO 0.03 -0.17 -0.06 0.20 1.05 0.00 0.00 175.02 176.07 2d7n s GLY 63 N 1.34 1.62 0.32 2.11 0.00 -0.88 -0.52 107.32 111.32 2d7n s GLY 63 Ca 0.04 -1.84 0.01 0.00 0.00 0.00 0.00 44.72 42.93 2d7n s GLY 63 CO -0.05 0.77 0.52 -0.42 0.00 0.00 0.00 173.10 173.92 2d7n s ILE 64 N 1.13 5.13 0.02 0.90 -1.09 -1.26 -2.09 121.20 123.93 2d7n s ILE 64 Ca -0.04 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 57.78 2d7n s ILE 64 Cb -0.19 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 2d7n s ILE 64 CO -0.06 -0.51 0.17 -0.54 -1.23 0.00 0.00 174.94 172.76 2d7n s LYS 65 N -4.21 0.58 -0.32 2.79 -0.14 0.18 -3.89 119.74 114.73 2d7n s LYS 65 Ca 0.39 -0.49 -0.01 0.00 -1.36 0.00 0.00 55.97 54.50 2d7n s LYS 65 Cb -0.10 0.24 0.10 0.00 -1.68 0.00 0.00 37.83 36.40 2d7n s LYS 65 CO 0.35 -0.15 0.12 -0.47 -0.76 0.00 0.00 175.35 174.43 2d7n s TYR 66 N -1.88 1.43 -1.79 3.18 5.04 0.05 -1.57 117.35 121.81 2d7n s TYR 66 Ca -0.11 -1.63 0.00 0.00 -2.44 0.00 0.00 57.07 52.90 2d7n s TYR 66 Cb -0.05 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.72 2d7n s TYR 66 CO -0.00 -0.86 0.00 -3.47 -1.34 0.00 0.00 175.55 169.87 2d7n n ASP 67 N 4.79 -5.66 -0.25 4.32 -0.08 0.68 -2.41 116.55 117.94 2d7n n ASP 67 Ca -0.01 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2d7n n ASP 67 Cb 0.41 -4.77 0.00 0.00 2.34 0.00 0.00 41.12 39.10 2d7n n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2d7n n GLY 68 N -0.89 0.98 3.23 0.27 0.00 -1.26 -5.01 105.19 102.51 2d7n n GLY 68 Ca -0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.49 -0.25 -0.57 1.61 2.47 -1.01 -5.09 114.94 109.60 2d7n s ASN 69 Ca 0.00 0.89 -0.26 0.00 0.42 0.00 0.00 52.86 53.91 2d7n s ASN 69 Cb 0.00 1.05 -0.09 0.00 -1.45 0.00 0.00 41.25 40.76 2d7n s ASN 69 CO 0.00 -0.22 2.43 1.41 -3.72 0.00 0.00 177.10 177.00 2d7n n HIS 70 N 4.99 1.34 -1.24 0.43 8.25 -1.26 -0.77 115.22 126.96 2d7n n HIS 70 Ca -0.13 0.11 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 2d7n n HIS 70 Cb 0.51 -2.61 0.03 0.00 1.12 0.00 0.00 29.99 29.04 2d7n n HIS 70 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2d7n n ILE 71 N 8.10 0.53 -2.05 1.59 -5.35 -1.25 -4.72 119.36 116.20 2d7n n ILE 71 Ca 0.40 -0.49 -0.27 0.00 -0.27 0.00 0.00 62.75 62.13 2d7n n ILE 71 Cb 0.50 -0.19 -0.05 0.00 -1.74 0.00 0.00 39.64 38.16 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 -1.55 2.55 0.00 6.28 0.04 -1.26 -2.28 135.00 138.78 2d7n s PRO 72 Ca 0.57 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2d7n s PRO 72 Cb -0.42 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.03 2d7n s PRO 72 CO 0.66 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 174.65 2d7n n GLY 73 N 6.71 -0.46 3.36 0.56 0.00 -1.26 -4.90 105.19 109.19 2d7n n GLY 73 Ca 0.41 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 2.92 1.18 1.61 0.15 -0.97 -4.26 113.70 114.34 2d7n s SER 74 Ca 0.00 -0.85 -0.18 0.00 0.70 0.00 0.00 55.95 55.62 2d7n s SER 74 Cb 0.00 -0.19 0.28 0.00 -1.71 0.00 0.00 66.02 64.40 2d7n s SER 74 CO 0.00 0.03 1.11 -2.16 1.20 0.00 0.00 173.24 173.41 2d7n s PRO 75 N -2.66 -1.05 0.02 5.44 0.04 -1.26 -4.71 135.00 130.81 2d7n s PRO 75 Ca 0.16 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2d7n s PRO 75 Cb -0.07 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 2d7n s PRO 75 CO 0.07 -3.61 -0.02 -0.48 0.04 0.00 0.00 177.00 173.00 2d7n s LEU 76 N -6.89 2.18 -0.17 -3.56 0.05 0.32 -4.98 118.68 105.64 2d7n s LEU 76 Ca 0.70 -0.38 -0.07 0.00 0.05 0.00 0.00 54.13 54.43 2d7n s LEU 76 Cb -0.11 0.07 -0.04 0.00 -2.05 0.00 0.00 46.19 44.06 2d7n s LEU 76 CO 0.56 -0.22 0.07 -1.10 -0.55 0.00 0.00 176.35 175.11 2d7n s GLN 77 N -1.10 3.85 -0.13 1.48 -0.21 -1.26 -2.17 119.66 120.12 2d7n s GLN 77 Ca -0.12 -0.31 -0.06 0.00 0.02 0.00 0.00 55.36 54.90 2d7n s GLN 77 Cb -0.08 -3.20 0.06 0.00 1.00 0.00 0.00 33.01 30.80 2d7n s GLN 77 CO -0.01 0.38 0.29 -0.59 -2.12 0.00 0.00 175.29 173.24 2d7n s PHE 78 N 0.08 -0.44 0.22 0.91 -0.71 -1.18 -5.03 117.98 111.82 2d7n s PHE 78 Ca 0.06 0.99 -0.15 0.00 -1.04 0.00 0.00 56.93 56.79 2d7n s PHE 78 Cb -0.12 0.05 -0.08 0.00 -1.21 0.00 0.00 43.02 41.66 2d7n s PHE 78 CO 0.00 -0.32 0.64 -0.47 -1.34 0.00 0.00 175.22 173.73 2d7n s TYR 79 N 1.94 3.55 -0.17 3.49 5.04 -1.26 -2.47 117.35 127.46 2d7n s TYR 79 Ca -0.04 1.16 -0.04 0.00 -2.44 0.00 0.00 57.07 55.71 2d7n s TYR 79 Cb -0.11 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.71 2d7n s TYR 79 CO -0.09 0.31 -0.02 0.08 -1.34 0.00 0.00 175.55 174.49 2d7n s VAL 80 N -1.64 3.96 0.40 3.14 1.01 -0.87 -4.94 120.40 121.45 2d7n s VAL 80 Ca 0.44 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2d7n s VAL 80 Cb -0.14 -2.76 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 2d7n s VAL 80 CO 0.20 0.47 0.06 1.51 0.00 0.00 0.00 175.10 177.33 2d7n s ASP 81 N 0.62 4.09 0.04 3.32 1.47 -1.26 -2.88 116.67 122.07 2d7n s ASP 81 Ca -0.01 -1.21 -0.30 0.00 1.18 0.00 0.00 52.55 52.20 2d7n s ASP 81 Cb -0.14 -0.44 -0.05 0.00 -0.34 0.00 0.00 42.92 41.95 2d7n s ASP 81 CO 0.02 -0.44 1.20 0.00 0.68 0.00 0.00 175.17 176.64 2d7n s ALA 82 N -2.64 3.41 0.06 2.11 0.00 -1.26 -3.47 121.76 119.96 2d7n s ALA 82 Ca 0.37 0.82 -0.37 0.00 0.00 0.00 0.00 51.96 52.77 2d7n s ALA 82 Cb 0.06 -3.46 -0.17 0.00 0.00 0.00 0.00 23.12 19.56 2d7n s ALA 82 CO 0.20 -0.49 1.38 -0.89 0.00 0.00 0.00 175.76 175.95 2d7n n ILE 83 N 4.05 0.03 -3.59 0.00 5.41 -0.91 -4.87 119.36 119.47 2d7n n ILE 83 Ca 0.09 -0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.43 2d7n n ILE 83 Cb 0.46 -0.86 -0.11 0.00 -0.71 0.00 0.00 39.64 38.43 2d7n n ILE 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2d7n s ASN 84 N 0.74 5.75 -0.30 4.38 3.04 -1.26 -5.02 114.94 122.27 2d7n s ASN 84 Ca 0.86 -0.88 -0.09 0.00 0.04 0.00 0.00 52.86 52.78 2d7n s ASN 84 Cb -0.96 -2.04 -0.01 0.00 -1.54 0.00 0.00 41.25 36.70 2d7n s ASN 84 CO 0.48 -0.35 0.15 -0.55 -3.04 0.00 0.00 177.10 173.79 2d7n s SER 85 N 1.58 5.53 -0.03 -4.21 0.15 -1.26 -5.07 113.70 110.40 2d7n s SER 85 Ca 0.03 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.22 2d7n s SER 85 Cb -0.19 -2.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.14 2d7n s SER 85 CO 0.07 -0.17 -0.03 -0.13 1.20 0.00 0.00 173.24 174.17 2d7n s ARG 86 N 1.62 0.56 -0.12 5.44 1.81 -1.26 -5.14 118.95 121.86 2d7n s ARG 86 Ca 0.05 -0.08 -0.06 0.00 -1.72 0.00 0.00 55.73 53.93 2d7n s ARG 86 Cb -0.17 -0.61 -0.04 0.00 -0.45 0.00 0.00 34.95 33.68 2d7n s ARG 86 CO 0.06 -0.04 0.09 -1.01 -0.68 0.00 0.00 175.30 173.72 2d7n s HIS 87 N 0.64 3.41 -0.14 -0.53 3.76 -1.26 -5.09 115.29 116.08 2d7n s HIS 87 Ca -0.08 0.36 -0.04 0.00 -0.15 0.00 0.00 55.06 55.15 2d7n s HIS 87 Cb -0.11 -1.92 0.05 0.00 1.11 0.00 0.00 32.58 31.71 2d7n s HIS 87 CO -0.00 0.56 0.08 -1.54 -0.85 0.00 0.00 174.74 172.98 2d7n s SER 88 N -0.74 2.10 0.00 1.40 1.04 -1.26 -5.11 113.70 111.14 2d7n s SER 88 Ca 0.13 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2d7n s SER 88 Cb -0.12 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2d7n s SER 88 CO 0.03 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2d7n n GLY 89 N 5.26 -0.55 0.16 7.32 0.00 -1.26 -4.66 105.19 111.46 2d7n n GLY 89 Ca -0.06 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 2d7n n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d7n h PRO 90 N 0.00 0.47 -6.11 1.61 0.13 -2.07 -3.46 132.00 122.58 2d7n h PRO 90 Ca 0.00 -0.25 -0.59 0.00 -0.87 0.00 0.00 66.00 64.29 2d7n h PRO 90 Cb 0.00 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 31.02 2d7n h PRO 90 CO 0.00 0.82 -0.68 -1.54 -0.23 0.00 0.00 178.00 176.37 2d7n s SER 91 N -6.27 3.96 -0.09 1.44 1.04 -1.26 -5.13 113.70 107.39 2d7n s SER 91 Ca -0.14 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.22 2d7n s SER 91 Cb 0.06 -0.48 -0.05 0.00 0.10 0.00 0.00 66.02 65.66 2d7n s SER 91 CO 0.78 -0.09 0.23 -0.44 0.98 0.00 0.00 173.24 174.70 2d7n s SER 92 N -3.62 6.50 0.00 7.02 0.01 -1.26 -4.88 113.70 117.48 2d7n s SER 92 Ca 0.32 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.18 2d7n s SER 92 Cb -0.03 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2d7n s SER 92 CO 0.17 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.77