#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 -0.48 -1.25 1.61 0.15 -1.26 -5.08 113.70 107.39 2d7n s SER 2 Ca 0.00 0.43 -0.20 0.00 0.70 0.00 0.00 55.95 56.88 2d7n s SER 2 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2d7n s SER 2 CO 0.00 -0.58 1.82 -0.44 1.20 0.00 0.00 173.24 175.23 2d7n s SER 3 N -1.39 6.07 0.00 5.45 0.01 -1.26 -4.80 113.70 117.78 2d7n s SER 3 Ca -0.11 -2.11 0.00 0.00 1.31 0.00 0.00 55.95 55.04 2d7n s SER 3 Cb -0.02 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2d7n s SER 3 CO 0.06 -1.98 0.00 0.61 0.41 0.00 0.00 173.24 172.34 2d7n n GLY 4 N 5.59 1.30 3.84 3.44 0.00 -1.26 -5.17 105.19 112.92 2d7n n GLY 4 Ca 0.47 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.50 4.47 -0.06 1.61 0.01 -1.26 -5.08 113.70 112.89 2d7n s SER 5 Ca 0.00 1.06 0.03 0.00 1.31 0.00 0.00 55.95 58.35 2d7n s SER 5 Cb 0.00 -1.72 0.01 0.00 0.21 0.00 0.00 66.02 64.52 2d7n s SER 5 CO 0.00 -1.95 -0.15 -0.94 0.41 0.00 0.00 173.24 170.60 2d7n s SER 6 N -4.19 2.06 -0.78 2.44 1.04 -1.26 -5.05 113.70 107.96 2d7n s SER 6 Ca 0.61 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.72 2d7n s SER 6 Cb -0.13 -0.83 0.32 0.00 0.10 0.00 0.00 66.02 65.48 2d7n s SER 6 CO 0.52 0.09 1.23 0.61 0.98 0.00 0.00 173.24 176.67 2d7n n GLY 7 N 3.55 5.59 3.10 7.32 0.00 -1.26 -5.00 105.19 118.49 2d7n n GLY 7 Ca -0.21 -2.71 -0.30 0.00 0.00 0.00 0.00 46.02 42.80 2d7n n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d7n s LEU 8 N -3.48 1.87 0.40 0.99 1.43 -1.26 0.08 118.68 118.71 2d7n s LEU 8 Ca 0.43 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 2d7n s LEU 8 Cb 0.21 -1.21 -0.11 0.00 0.03 0.00 0.00 46.19 45.11 2d7n s LEU 8 CO -0.09 0.05 1.11 0.54 0.23 0.00 0.00 176.35 178.20 2d7n n ARG 9 N 4.07 1.58 -1.15 1.70 1.74 -1.23 -4.80 116.66 118.57 2d7n n ARG 9 Ca -0.20 0.56 -0.29 0.00 -0.77 0.00 0.00 57.85 57.16 2d7n n ARG 9 Cb 0.52 -2.15 0.19 0.00 -1.02 0.00 0.00 32.46 30.00 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 -2.02 0.08 -0.58 5.56 0.04 -1.26 -4.68 135.00 132.13 2d7n s PRO 10 Ca 0.61 0.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.00 2d7n s PRO 10 Cb -0.56 -1.71 0.15 0.00 0.04 0.00 0.00 34.50 32.43 2d7n s PRO 10 CO 0.58 -2.94 0.41 0.12 0.04 0.00 0.00 177.00 175.21 2d7n s PHE 11 N -2.97 3.49 -0.32 0.56 5.36 -0.41 -4.98 117.98 118.70 2d7n s PHE 11 Ca 0.66 -2.41 0.01 0.00 -0.96 0.00 0.00 56.93 54.23 2d7n s PHE 11 Cb -0.17 -3.34 0.08 0.00 -0.34 0.00 0.00 43.02 39.25 2d7n s PHE 11 CO 0.57 -0.92 0.03 0.54 -1.46 0.00 0.00 175.22 173.99 2d7n s ASN 12 N 1.48 4.83 0.06 6.13 2.20 -1.25 -2.56 114.94 125.83 2d7n s ASN 12 Ca 0.13 -1.69 0.01 0.00 -0.94 0.00 0.00 52.86 50.37 2d7n s ASN 12 Cb -0.21 -1.68 -0.03 0.00 -2.00 0.00 0.00 41.25 37.33 2d7n s ASN 12 CO -0.04 -0.33 -0.05 -0.22 -2.94 0.00 0.00 177.10 173.52 2d7n s LEU 13 N 1.10 2.41 -0.25 3.54 2.96 -1.08 -4.98 118.68 122.38 2d7n s LEU 13 Ca 0.01 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.11 2d7n s LEU 13 Cb -0.20 0.02 0.06 0.00 0.50 0.00 0.00 46.19 46.57 2d7n s LEU 13 CO -0.04 -0.43 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.78 2d7n s VAL 14 N -2.93 1.92 -0.12 1.68 1.01 -1.26 -0.27 120.40 120.43 2d7n s VAL 14 Ca 0.02 -1.48 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 2d7n s VAL 14 Cb 0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 2d7n s VAL 14 CO -0.05 -0.06 0.45 -0.63 0.00 0.00 0.00 175.10 174.82 2d7n s ILE 15 N 1.22 5.20 -1.05 2.22 1.01 -0.10 -4.88 121.20 124.82 2d7n s ILE 15 Ca -0.08 0.90 -0.24 0.00 0.00 0.00 0.00 60.65 61.24 2d7n s ILE 15 Cb -0.20 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 2d7n s ILE 15 CO -0.05 0.34 1.94 -2.16 0.00 0.00 0.00 174.94 175.01 2d7n s PRO 16 N 0.56 2.53 -0.25 2.79 0.04 -1.26 -1.75 135.00 137.65 2d7n s PRO 16 Ca 0.25 -0.74 -0.02 0.00 0.04 0.00 0.00 61.00 60.52 2d7n s PRO 16 Cb -0.15 -5.16 0.14 0.00 0.04 0.00 0.00 34.50 29.37 2d7n s PRO 16 CO 0.09 -3.69 0.38 0.12 0.04 0.00 0.00 177.00 173.95 2d7n s PHE 17 N 10.55 -0.83 0.53 0.56 5.36 -1.13 -4.98 117.98 128.04 2d7n s PHE 17 Ca 0.69 0.73 -0.21 0.00 -0.96 0.00 0.00 56.93 57.18 2d7n s PHE 17 Cb -0.04 -0.02 -0.05 0.00 -0.34 0.00 0.00 43.02 42.57 2d7n s PHE 17 CO 0.06 -0.76 1.22 0.00 -1.46 0.00 0.00 175.22 174.29 2d7n s ALA 18 N 2.54 2.77 -0.08 11.12 0.00 -1.03 -3.92 121.76 133.16 2d7n s ALA 18 Ca 0.12 1.04 0.02 0.00 0.00 0.00 0.00 51.96 53.14 2d7n s ALA 18 Cb -0.15 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2d7n s ALA 18 CO -0.18 -1.00 -0.12 0.08 0.00 0.00 0.00 175.76 174.54 2d7n s VAL 19 N -1.52 1.17 -0.24 0.00 1.01 -1.26 -4.96 120.40 114.59 2d7n s VAL 19 Ca 0.71 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2d7n s VAL 19 Cb -0.32 -1.08 0.07 0.00 0.00 0.00 0.00 36.38 35.05 2d7n s VAL 19 CO 0.36 0.37 0.02 -1.10 0.00 0.00 0.00 175.10 174.75 2d7n s GLN 20 N 0.84 1.03 -1.77 2.72 1.11 -1.26 -4.67 119.66 117.66 2d7n s GLN 20 Ca -0.11 -0.81 -0.16 0.00 0.01 0.00 0.00 55.36 54.29 2d7n s GLN 20 Cb -0.15 -2.29 0.16 0.00 -1.01 0.00 0.00 33.01 29.72 2d7n s GLN 20 CO 0.02 -0.71 0.44 1.63 0.01 0.00 0.00 175.29 176.67 2d7n n LYS 21 N 4.85 -0.99 -4.47 2.91 4.76 -1.26 -4.91 118.16 119.05 2d7n n LYS 21 Ca -0.08 0.15 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 2d7n n LYS 21 Cb 0.45 -4.42 -0.10 0.00 -1.84 0.00 0.00 35.03 29.12 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 -3.60 1.88 -0.36 0.72 0.00 -1.26 -5.10 107.32 99.61 2d7n s GLY 22 Ca 0.58 -1.87 -0.18 0.00 0.00 0.00 0.00 44.72 43.24 2d7n s GLY 22 CO 1.01 -1.96 0.52 1.85 0.00 0.00 0.00 173.10 174.51 2d7n s GLU 23 N -3.51 3.59 -0.37 2.90 2.12 -1.26 -4.91 118.70 117.26 2d7n s GLU 23 Ca 0.30 -0.19 -0.08 0.00 0.36 0.00 0.00 54.97 55.37 2d7n s GLU 23 Cb -0.05 -3.82 0.05 0.00 0.26 0.00 0.00 34.13 30.57 2d7n s GLU 23 CO 0.15 -0.67 0.17 -1.17 -0.54 0.00 0.00 175.26 173.20 2d7n s LEU 24 N 2.40 4.67 0.42 2.70 2.96 -1.26 -0.65 118.68 129.92 2d7n s LEU 24 Ca 0.19 -1.29 0.05 0.00 -0.22 0.00 0.00 54.13 52.86 2d7n s LEU 24 Cb -0.15 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2d7n s LEU 24 CO 0.14 -0.41 0.03 0.42 -1.32 0.00 0.00 176.35 175.20 2d7n s THR 25 N 1.41 1.49 0.23 3.68 -4.23 -0.91 -4.92 115.64 112.39 2d7n s THR 25 Ca 0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 2d7n s THR 25 Cb -0.21 -2.68 0.06 0.00 1.34 0.00 0.00 72.50 71.02 2d7n s THR 25 CO 0.03 0.00 0.83 0.61 -0.54 0.00 0.00 174.62 175.54 2d7n n GLY 26 N -0.99 0.84 3.58 3.99 0.00 -1.26 0.12 105.19 111.47 2d7n n GLY 26 Ca -0.08 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 2d7n n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d7n s GLU 27 N -2.06 0.93 0.05 1.61 2.12 -0.82 -4.44 118.70 116.10 2d7n s GLU 27 Ca 0.18 0.67 0.08 0.00 0.36 0.00 0.00 54.97 56.26 2d7n s GLU 27 Cb -0.03 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 2d7n s GLU 27 CO 0.07 -0.20 -0.19 0.08 -0.54 0.00 0.00 175.26 174.48 2d7n s VAL 28 N -0.30 2.73 -0.14 3.70 1.01 0.58 -1.46 120.40 126.51 2d7n s VAL 28 Ca -0.05 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.68 2d7n s VAL 28 Cb -0.03 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2d7n s VAL 28 CO 0.05 0.31 -0.12 -0.60 0.00 0.00 0.00 175.10 174.73 2d7n s ARG 29 N -1.52 2.11 0.18 2.72 6.06 -0.36 -1.51 118.95 126.64 2d7n s ARG 29 Ca 0.15 -0.51 -0.06 0.00 -2.50 0.00 0.00 55.73 52.80 2d7n s ARG 29 Cb -0.10 -2.01 -0.06 0.00 0.06 0.00 0.00 34.95 32.83 2d7n s ARG 29 CO 0.06 -0.26 0.45 0.00 -2.50 0.00 0.00 175.30 173.05 2d7n s MET 30 N 1.53 3.68 0.17 5.12 0.23 -0.97 -2.44 119.30 126.62 2d7n s MET 30 Ca 0.05 0.04 0.20 0.00 -1.03 0.00 0.00 55.69 54.95 2d7n s MET 30 Cb -0.13 -2.76 0.85 0.00 -1.53 0.00 0.00 34.83 31.26 2d7n s MET 30 CO -0.10 0.40 1.62 -0.35 -2.03 0.00 0.00 175.02 174.55 2d7n n PRO 31 N -0.07 0.12 -0.27 3.16 -0.04 -1.26 -2.94 135.00 133.70 2d7n n PRO 31 Ca -0.01 0.37 -0.07 0.00 -0.04 0.00 0.00 63.50 63.75 2d7n n PRO 31 Cb 0.52 -1.74 0.05 0.00 -0.04 0.00 0.00 33.50 32.29 2d7n n PRO 31 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2d7n h SER 32 N 0.00 1.09 0.00 3.54 0.02 -1.95 -3.46 113.55 112.78 2d7n h SER 32 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2d7n h SER 32 Cb 0.32 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2d7n h SER 32 CO 0.00 1.01 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 2d7n n GLY 33 N -0.75 0.97 2.95 -3.77 0.00 -1.15 -5.07 105.19 98.37 2d7n n GLY 33 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 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 0.38 -3.93 1.61 5.02 -1.25 -5.06 118.16 114.93 2d7n n LYS 34 Ca 0.00 -3.07 -0.10 0.00 -2.02 0.00 0.00 58.31 53.12 2d7n n LYS 34 Cb 0.00 2.51 -0.12 0.00 -0.02 0.00 0.00 35.03 37.40 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 -3.24 0.07 0.03 -0.18 -4.23 -1.26 -2.28 115.64 104.54 2d7n s THR 35 Ca 0.37 -0.58 0.01 0.00 -1.18 0.00 0.00 61.69 60.31 2d7n s THR 35 Cb 0.02 -0.20 -0.02 0.00 1.34 0.00 0.00 72.50 73.64 2d7n s THR 35 CO 0.26 -0.32 -0.06 0.00 -0.54 0.00 0.00 174.62 173.97 2d7n s ALA 36 N -0.95 0.39 -0.25 3.99 0.00 -0.57 -5.00 121.76 119.37 2d7n s ALA 36 Ca -0.10 -0.57 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 2d7n s ALA 36 Cb -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2d7n s ALA 36 CO -0.00 -0.03 0.74 0.50 0.00 0.00 0.00 175.76 176.96 2d7n s ARG 37 N -1.19 4.15 0.00 0.00 3.52 -1.26 -0.31 118.95 123.86 2d7n s ARG 37 Ca -0.09 0.77 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 2d7n s ARG 37 Cb -0.08 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2d7n s ARG 37 CO -0.00 -0.48 0.00 -0.35 -0.81 0.00 0.00 175.30 173.66 2d7n n PRO 38 N 5.88 -0.06 -3.99 5.12 -0.04 -1.26 -4.94 135.00 135.71 2d7n n PRO 38 Ca 0.03 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 2d7n n PRO 38 Cb 0.48 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.33 -0.03 3.54 0.01 0.08 -4.95 114.94 112.41 2d7n s ASN 39 Ca 0.00 -0.34 -0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2d7n s ASN 39 Cb 0.00 0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.73 2d7n s ASN 39 CO 0.00 -0.17 0.03 -0.63 -1.51 0.00 0.00 177.10 174.82 2d7n s ILE 40 N -0.93 0.04 -0.72 0.60 1.01 -1.26 -0.30 121.20 119.63 2d7n s ILE 40 Ca -0.09 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 2d7n s ILE 40 Cb -0.07 -0.20 0.18 0.00 0.01 0.00 0.00 42.46 42.39 2d7n s ILE 40 CO -0.00 0.15 0.69 -0.89 0.00 0.00 0.00 174.94 174.88 2d7n s THR 41 N 1.44 5.42 -0.11 2.92 2.01 -0.13 -4.98 115.64 122.21 2d7n s THR 41 Ca -0.04 -2.06 -0.31 0.00 0.31 0.00 0.00 61.69 59.59 2d7n s THR 41 Cb -0.13 -4.44 -0.09 0.00 0.01 0.00 0.00 72.50 67.86 2d7n s THR 41 CO -0.03 -0.99 2.04 -0.67 -0.69 0.00 0.00 174.62 174.28 2d7n n ASP 42 N 4.58 3.53 0.05 3.53 -0.08 -1.26 -3.53 116.55 123.37 2d7n n ASP 42 Ca 0.04 0.68 0.07 0.00 -1.51 0.00 0.00 54.79 54.07 2d7n n ASP 42 Cb 0.44 -1.47 -0.07 0.00 2.34 0.00 0.00 41.12 42.37 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 8.68 0.63 -2.67 1.67 3.02 -1.25 -4.96 115.26 120.37 2d7n n ASN 43 Ca 0.25 0.26 -0.16 0.00 -0.03 0.00 0.00 54.58 54.90 2d7n n ASN 43 Cb 0.37 0.72 -0.00 0.00 -0.61 0.00 0.00 39.78 40.26 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 -2.65 -2.67 0.00 3.52 4.01 -1.26 -4.79 118.16 114.31 2d7n n LYS 44 Ca -0.05 0.65 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 2d7n n LYS 44 Cb 0.66 -5.31 0.00 0.00 -0.51 0.00 0.00 35.03 29.88 2d7n n LYS 44 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2d7n n ASP 45 N -2.00 0.87 0.00 4.39 9.92 -1.26 -4.95 116.55 123.52 2d7n n ASP 45 Ca -0.13 -0.93 0.00 0.00 -0.53 0.00 0.00 54.79 53.20 2d7n n ASP 45 Cb 0.61 0.15 0.00 0.00 -0.64 0.00 0.00 41.12 41.24 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 0.16 1.19 3.30 0.44 0.00 -1.26 -5.03 105.19 103.98 2d7n n GLY 46 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.88 0.19 -0.04 2.61 -4.23 -1.25 -2.47 115.64 108.56 2d7n s THR 47 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2d7n s THR 47 Cb 0.00 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.35 2d7n s THR 47 CO 0.00 0.00 0.09 0.27 -0.54 0.00 0.00 174.62 174.44 2d7n s ILE 48 N -3.68 -0.02 -0.21 2.99 -4.36 -0.72 -3.93 121.20 111.27 2d7n s ILE 48 Ca 0.37 0.06 -0.08 0.00 -0.26 0.00 0.00 60.65 60.74 2d7n s ILE 48 Cb 0.05 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.58 2d7n s ILE 48 CO 0.19 0.02 0.09 -0.89 0.24 0.00 0.00 174.94 174.59 2d7n s THR 49 N 0.36 4.88 -0.16 8.37 2.01 -1.23 -0.92 115.64 128.95 2d7n s THR 49 Ca -0.03 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.91 2d7n s THR 49 Cb -0.04 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2d7n s THR 49 CO -0.01 0.41 0.08 -0.69 -0.69 0.00 0.00 174.62 173.72 2d7n s VAL 50 N 0.77 4.99 -0.08 3.82 1.01 0.63 -0.95 120.40 130.58 2d7n s VAL 50 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2d7n s VAL 50 Cb -0.13 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.05 2d7n s VAL 50 CO 0.02 0.51 -0.06 -0.13 0.00 0.00 0.00 175.10 175.45 2d7n s ARG 51 N -0.11 1.18 -0.03 2.72 0.52 0.59 -2.64 118.95 121.18 2d7n s ARG 51 Ca 0.08 -0.16 -0.06 0.00 -0.52 0.00 0.00 55.73 55.07 2d7n s ARG 51 Cb -0.12 -1.25 0.01 0.00 0.52 0.00 0.00 34.95 34.11 2d7n s ARG 51 CO 0.01 -0.20 0.14 -0.47 0.02 0.00 0.00 175.30 174.81 2d7n s TYR 52 N 1.46 -0.06 -0.44 -0.53 5.04 -1.06 -0.74 117.35 121.03 2d7n s TYR 52 Ca -0.01 0.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.72 2d7n s TYR 52 Cb -0.13 0.00 0.12 0.00 0.35 0.00 0.00 41.96 42.30 2d7n s TYR 52 CO -0.04 -0.18 0.24 0.00 -1.34 0.00 0.00 175.55 174.23 2d7n s ALA 53 N -0.65 3.22 -0.01 3.97 0.00 -1.26 -1.29 121.76 125.75 2d7n s ALA 53 Ca -0.07 -2.63 -0.30 0.00 0.00 0.00 0.00 51.96 48.96 2d7n s ALA 53 Cb -0.04 -2.47 -0.06 0.00 0.00 0.00 0.00 23.12 20.55 2d7n s ALA 53 CO 0.01 -1.85 1.46 -1.25 0.00 0.00 0.00 175.76 174.13 2d7n s PRO 54 N 1.01 4.25 0.04 0.00 0.04 -1.26 -4.92 135.00 134.16 2d7n s PRO 54 Ca 0.09 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.11 2d7n s PRO 54 Cb -0.23 -3.65 -0.29 0.00 0.04 0.00 0.00 34.50 30.38 2d7n s PRO 54 CO -0.04 -0.64 0.99 1.15 0.04 0.00 0.00 177.00 178.50 2d7n h THR 55 N 5.03 1.32 -1.40 1.26 2.02 -1.98 -3.43 112.91 115.73 2d7n h THR 55 Ca -0.38 -2.91 -0.63 0.00 0.77 0.00 0.00 66.41 63.26 2d7n h THR 55 Cb 1.18 2.86 -0.13 0.00 -1.74 0.00 0.00 68.15 70.32 2d7n h THR 55 CO 0.92 0.85 -0.58 -1.61 0.37 0.00 0.00 175.52 175.47 2d7n s GLU 56 N -2.63 2.01 -0.09 6.66 0.41 -1.26 -4.92 118.70 118.87 2d7n s GLU 56 Ca -0.07 -2.18 -0.03 0.00 -0.41 0.00 0.00 54.97 52.28 2d7n s GLU 56 Cb 0.07 -1.55 -0.04 0.00 -1.78 0.00 0.00 34.13 30.83 2d7n s GLU 56 CO 0.87 -0.15 0.05 -1.59 -0.49 0.00 0.00 175.26 173.96 2d7n s LYS 57 N -3.76 3.13 0.00 1.61 -2.85 -1.26 -4.84 119.74 111.77 2d7n s LYS 57 Ca 0.27 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 2d7n s LYS 57 Cb 0.08 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 2d7n s LYS 57 CO 0.14 0.72 0.00 0.41 0.10 0.00 0.00 175.35 176.72 2d7n n GLY 58 N 2.01 0.55 3.70 0.59 0.00 -1.12 -4.93 105.19 105.99 2d7n n GLY 58 Ca -0.19 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 4.33 0.21 0.99 2.96 -1.26 -2.16 118.68 123.75 2d7n s LEU 59 Ca 0.00 2.09 0.11 0.00 -0.22 0.00 0.00 54.13 56.11 2d7n s LEU 59 Cb 0.00 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2d7n s LEU 59 CO 0.00 -0.64 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.21 2d7n s HIS 60 N 1.84 2.40 -0.22 5.38 3.76 -0.71 -4.27 115.29 123.47 2d7n s HIS 60 Ca 0.62 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 55.20 2d7n s HIS 60 Cb -0.31 -1.15 0.01 0.00 1.11 0.00 0.00 32.58 32.24 2d7n s HIS 60 CO 0.27 0.54 -0.09 -1.14 -0.85 0.00 0.00 174.74 173.48 2d7n s GLN 61 N -2.89 3.09 -0.16 1.40 2.00 -1.02 -3.24 119.66 118.83 2d7n s GLN 61 Ca 0.24 -0.80 -0.02 0.00 -2.00 0.00 0.00 55.36 52.78 2d7n s GLN 61 Cb -0.08 -2.88 -0.01 0.00 0.80 0.00 0.00 33.01 30.84 2d7n s GLN 61 CO 0.12 -0.27 -0.10 1.41 -0.50 0.00 0.00 175.29 175.96 2d7n s MET 62 N 1.38 3.39 -0.24 1.67 -2.45 -0.98 -1.23 119.30 120.83 2d7n s MET 62 Ca 0.04 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 53.83 2d7n s MET 62 Cb -0.15 -2.78 0.06 0.00 1.25 0.00 0.00 34.83 33.21 2d7n s MET 62 CO -0.06 0.06 -0.05 0.20 1.05 0.00 0.00 175.02 176.22 2d7n s GLY 63 N 0.77 1.33 0.28 2.11 0.00 -0.53 -0.14 107.32 111.15 2d7n s GLY 63 Ca -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2d7n s GLY 63 CO 0.01 0.93 0.47 -0.42 0.00 0.00 0.00 173.10 174.09 2d7n s ILE 64 N 1.36 5.16 0.04 0.90 -1.09 -1.26 -1.94 121.20 124.38 2d7n s ILE 64 Ca -0.05 -0.53 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 2d7n s ILE 64 Cb -0.19 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2d7n s ILE 64 CO -0.07 -0.40 0.01 -0.54 -1.23 0.00 0.00 174.94 172.70 2d7n s LYS 65 N -3.97 0.56 -0.22 2.79 -0.14 0.12 -3.82 119.74 115.06 2d7n s LYS 65 Ca 0.38 -1.00 -0.04 0.00 -1.36 0.00 0.00 55.97 53.95 2d7n s LYS 65 Cb -0.10 0.20 0.07 0.00 -1.68 0.00 0.00 37.83 36.33 2d7n s LYS 65 CO 0.32 -0.12 0.09 -0.47 -0.76 0.00 0.00 175.35 174.42 2d7n s TYR 66 N -3.21 0.63 -1.15 3.18 5.04 -0.10 -2.15 117.35 119.58 2d7n s TYR 66 Ca 0.00 -0.77 -0.06 0.00 -2.44 0.00 0.00 57.07 53.80 2d7n s TYR 66 Cb 0.03 -0.95 0.05 0.00 0.35 0.00 0.00 41.96 41.43 2d7n s TYR 66 CO -0.07 -0.66 0.33 -3.47 -1.34 0.00 0.00 175.55 170.33 2d7n n ASP 67 N 5.16 -3.61 -0.63 4.32 -0.08 0.17 -1.48 116.55 120.40 2d7n n ASP 67 Ca -0.07 -0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 2d7n n ASP 67 Cb 0.46 -3.02 0.00 0.00 2.34 0.00 0.00 41.12 40.90 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 -1.04 0.69 3.56 0.27 0.00 -1.26 -5.01 105.19 102.41 2d7n n GLY 68 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 2d7n n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d7n s ASN 69 N -2.72 -1.07 -0.58 1.61 0.01 -0.55 -5.10 114.94 106.54 2d7n s ASN 69 Ca 0.00 1.45 -0.29 0.00 -0.71 0.00 0.00 52.86 53.30 2d7n s ASN 69 Cb 0.00 2.19 -0.12 0.00 0.41 0.00 0.00 41.25 43.73 2d7n s ASN 69 CO 0.00 -0.23 2.43 1.41 -1.51 0.00 0.00 177.10 179.21 2d7n n HIS 70 N 5.44 1.26 -1.29 2.20 8.25 -1.26 -0.93 115.22 128.89 2d7n n HIS 70 Ca -0.11 0.21 -0.37 0.00 -0.26 0.00 0.00 57.72 57.19 2d7n n HIS 70 Cb 0.49 -2.55 0.05 0.00 1.12 0.00 0.00 29.99 29.10 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 7.69 1.57 -2.05 1.59 -5.35 -1.25 -4.77 119.36 116.79 2d7n n ILE 71 Ca 0.45 -0.44 -0.27 0.00 -0.27 0.00 0.00 62.75 62.22 2d7n n ILE 71 Cb 0.34 -0.59 -0.05 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.33 2.55 0.00 6.28 0.04 -1.26 -2.32 135.00 137.95 2d7n s PRO 72 Ca 0.64 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.34 2d7n s PRO 72 Cb -0.38 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.09 2d7n s PRO 72 CO 0.60 -3.42 0.00 0.41 0.04 0.00 0.00 177.00 174.63 2d7n n GLY 73 N 6.79 -0.36 3.35 0.56 0.00 -1.26 -4.97 105.19 109.32 2d7n n GLY 73 Ca 0.40 0.00 -0.23 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 2.88 0.82 1.61 0.15 -0.98 -4.04 113.70 114.13 2d7n s SER 74 Ca 0.00 -0.85 -0.11 0.00 0.70 0.00 0.00 55.95 55.69 2d7n s SER 74 Cb 0.00 -0.18 0.08 0.00 -1.71 0.00 0.00 66.02 64.21 2d7n s SER 74 CO 0.00 0.02 1.09 -2.16 1.20 0.00 0.00 173.24 173.39 2d7n s PRO 75 N -2.70 1.89 0.01 5.44 0.04 -1.26 -4.72 135.00 133.70 2d7n s PRO 75 Ca 0.16 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.30 2d7n s PRO 75 Cb -0.07 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2d7n s PRO 75 CO 0.07 -1.86 -0.18 -0.48 0.04 0.00 0.00 177.00 174.59 2d7n s LEU 76 N -6.03 2.08 0.13 -3.56 0.05 0.80 -4.97 118.68 107.19 2d7n s LEU 76 Ca 0.62 -0.39 -0.08 0.00 0.05 0.00 0.00 54.13 54.33 2d7n s LEU 76 Cb -0.17 -0.90 -0.06 0.00 -2.05 0.00 0.00 46.19 43.01 2d7n s LEU 76 CO 0.56 0.18 0.43 -1.10 -0.55 0.00 0.00 176.35 175.88 2d7n s GLN 77 N -0.70 3.74 -0.28 1.48 -1.52 -1.26 -2.32 119.66 118.80 2d7n s GLN 77 Ca 0.06 0.13 -0.17 0.00 -1.95 0.00 0.00 55.36 53.44 2d7n s GLN 77 Cb -0.07 -2.87 0.08 0.00 -0.22 0.00 0.00 33.01 29.92 2d7n s GLN 77 CO 0.00 0.47 0.70 -0.59 -0.25 0.00 0.00 175.29 175.62 2d7n s PHE 78 N -1.57 -1.04 -0.03 0.91 -0.71 -1.20 -5.03 117.98 109.31 2d7n s PHE 78 Ca 0.39 2.11 -0.06 0.00 -1.04 0.00 0.00 56.93 58.32 2d7n s PHE 78 Cb -0.13 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 2d7n s PHE 78 CO 0.21 -0.52 0.22 -0.47 -1.34 0.00 0.00 175.22 173.33 2d7n s TYR 79 N 1.55 3.59 -0.11 3.49 5.04 -1.26 -1.73 117.35 127.91 2d7n s TYR 79 Ca -0.09 0.55 -0.03 0.00 -2.44 0.00 0.00 57.07 55.05 2d7n s TYR 79 Cb -0.05 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.26 2d7n s TYR 79 CO -0.19 0.66 0.00 0.08 -1.34 0.00 0.00 175.55 174.76 2d7n s VAL 80 N -1.21 4.29 0.09 3.14 1.01 -0.92 -4.93 120.40 121.87 2d7n s VAL 80 Ca 0.24 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2d7n s VAL 80 Cb -0.13 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2d7n s VAL 80 CO 0.13 0.57 -0.10 -1.81 0.00 0.00 0.00 175.10 173.89 2d7n s ASP 81 N -0.48 1.38 0.86 3.32 1.01 -1.26 -2.79 116.67 118.70 2d7n s ASP 81 Ca 0.09 -0.81 -0.15 0.00 0.71 0.00 0.00 52.55 52.39 2d7n s ASP 81 Cb -0.12 0.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 2d7n s ASP 81 CO 0.02 -0.28 0.30 0.00 0.21 0.00 0.00 175.17 175.42 2d7n n ALA 82 N 0.57 -2.55 -2.56 5.23 0.00 -1.26 -3.53 120.51 116.42 2d7n n ALA 82 Ca -0.16 -0.47 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 2d7n n ALA 82 Cb 0.58 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 -2.16 4.64 -0.69 0.00 1.01 0.11 -4.64 121.20 119.47 2d7n s ILE 83 Ca 0.58 0.38 -0.06 0.00 0.00 0.00 0.00 60.65 61.55 2d7n s ILE 83 Cb -0.26 -4.34 0.18 0.00 0.01 0.00 0.00 42.46 38.05 2d7n s ILE 83 CO 0.66 -0.75 0.53 0.21 0.00 0.00 0.00 174.94 175.59 2d7n s ASN 84 N 2.21 5.64 -0.11 3.58 3.84 -1.26 -4.99 114.94 123.84 2d7n s ASN 84 Ca 0.29 -2.84 -0.32 0.00 0.21 0.00 0.00 52.86 50.20 2d7n s ASN 84 Cb -0.12 -1.95 0.12 0.00 -0.55 0.00 0.00 41.25 38.75 2d7n s ASN 84 CO 0.22 -0.42 1.07 -0.44 -2.79 0.00 0.00 177.10 174.74 2d7n s SER 85 N 1.04 -0.24 -0.35 -4.21 0.01 -1.26 -5.13 113.70 103.56 2d7n s SER 85 Ca 0.17 0.01 -0.00 0.00 1.31 0.00 0.00 55.95 57.44 2d7n s SER 85 Cb -0.17 0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.42 2d7n s SER 85 CO -0.05 -0.40 0.15 -0.60 0.41 0.00 0.00 173.24 172.76 2d7n s ARG 86 N -2.67 0.81 -0.41 12.44 6.06 -1.26 -5.10 118.95 128.83 2d7n s ARG 86 Ca 0.07 -1.32 -0.21 0.00 -2.50 0.00 0.00 55.73 51.77 2d7n s ARG 86 Cb -0.01 -1.94 0.02 0.00 0.06 0.00 0.00 34.95 33.08 2d7n s ARG 86 CO -0.06 -1.07 0.68 -1.58 -2.50 0.00 0.00 175.30 170.77 2d7n s HIS 87 N 1.24 3.08 0.07 5.12 5.65 -1.26 -5.05 115.29 124.14 2d7n s HIS 87 Ca 0.13 0.15 0.03 0.00 0.25 0.00 0.00 55.06 55.63 2d7n s HIS 87 Cb -0.20 -3.36 -0.04 0.00 -1.18 0.00 0.00 32.58 27.80 2d7n s HIS 87 CO -0.16 -0.82 0.04 -1.54 -0.65 0.00 0.00 174.74 171.61 2d7n s SER 88 N 1.96 5.28 0.00 9.88 1.04 -1.26 -5.05 113.70 125.55 2d7n s SER 88 Ca 0.25 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2d7n s SER 88 Cb -0.14 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2d7n s SER 88 CO 0.18 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.21 2d7n n GLY 89 N 0.65 -1.38 3.56 7.32 0.00 -1.26 -5.09 105.19 109.00 2d7n n GLY 89 Ca -0.10 0.76 -0.27 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 2.55 -0.51 1.61 0.04 -1.26 -4.91 135.00 132.52 2d7n s PRO 90 Ca 0.00 -0.36 -0.26 0.00 0.04 0.00 0.00 61.00 60.42 2d7n s PRO 90 Cb 0.00 -5.08 -0.06 0.00 0.04 0.00 0.00 34.50 29.40 2d7n s PRO 90 CO 0.00 -3.43 2.29 -1.54 0.04 0.00 0.00 177.00 174.36 2d7n s SER 91 N 7.92 4.62 -0.82 6.66 1.04 -1.26 -4.89 113.70 126.96 2d7n s SER 91 Ca 0.70 0.93 -0.10 0.00 0.48 0.00 0.00 55.95 57.97 2d7n s SER 91 Cb -0.06 -2.51 0.21 0.00 0.10 0.00 0.00 66.02 63.76 2d7n s SER 91 CO 0.00 -2.76 0.73 -0.55 0.98 0.00 0.00 173.24 171.64 2d7n s SER 92 N 11.27 6.40 0.00 7.02 0.15 -1.26 -5.36 113.70 131.92 2d7n s SER 92 Ca 0.91 -2.94 0.08 0.00 0.70 0.00 0.00 55.95 54.70 2d7n s SER 92 Cb -0.16 -2.10 0.45 0.00 -1.71 0.00 0.00 66.02 62.50 2d7n s SER 92 CO 0.25 -0.45 0.91 0.61 1.20 0.00 0.00 173.24 175.76