#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djr s SER 2 N 0.00 6.95 -0.16 1.61 1.04 -1.26 -5.02 113.70 116.87 2djr s SER 2 Ca 0.00 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.50 2djr s SER 2 Cb 0.00 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.58 2djr s SER 2 CO 0.00 -0.61 -0.09 -0.55 0.98 0.00 0.00 173.24 172.97 2djr s SER 3 N 1.43 2.82 0.39 7.02 0.15 -1.26 -5.11 113.70 119.15 2djr s SER 3 Ca 0.61 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 2djr s SER 3 Cb -0.30 -1.06 -0.11 0.00 -1.71 0.00 0.00 66.02 62.84 2djr s SER 3 CO 0.27 -0.13 -0.11 0.61 1.20 0.00 0.00 173.24 175.08 2djr n GLY 4 N 4.81 -2.46 2.83 9.45 0.00 -1.26 -4.98 105.19 113.58 2djr n GLY 4 Ca -0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2djr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djr s SER 5 N -0.75 0.01 -0.10 1.61 0.01 -1.26 -5.14 113.70 108.07 2djr s SER 5 Ca 0.42 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.82 2djr s SER 5 Cb -0.37 0.02 0.01 0.00 0.21 0.00 0.00 66.02 65.90 2djr s SER 5 CO 0.50 -0.12 -0.15 -0.55 0.41 0.00 0.00 173.24 173.33 2djr s SER 6 N 1.00 2.36 0.00 2.44 0.15 -1.26 -4.99 113.70 113.41 2djr s SER 6 Ca -0.08 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2djr s SER 6 Cb -0.11 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.14 2djr s SER 6 CO -0.04 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2djr n GLY 7 N 4.17 -1.11 2.50 9.45 0.00 -1.26 -4.99 105.19 113.94 2djr n GLY 7 Ca -0.19 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 2djr n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djr n SER 8 N -0.62 -0.93 0.05 1.61 2.88 -1.26 -4.68 113.62 110.67 2djr n SER 8 Ca 0.00 0.04 0.01 0.00 -1.33 0.00 0.00 58.87 57.59 2djr n SER 8 Cb 0.00 -0.88 -0.07 0.00 -0.75 0.00 0.00 64.21 62.51 2djr n SER 8 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2djr h GLU 9 N -0.17 0.00 -0.10 -1.46 4.81 -2.01 -3.33 114.58 112.32 2djr h GLU 9 Ca -0.12 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2djr h GLU 9 Cb 0.84 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 2djr h GLU 9 CO 0.18 0.27 0.29 0.00 -0.73 0.00 0.00 179.01 179.02 2djr h ALA 10 N 1.49 1.49 -0.43 2.92 0.00 -1.98 -0.70 119.26 122.06 2djr h ALA 10 Ca -0.13 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.90 2djr h ALA 10 Cb 1.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2djr h ALA 10 CO 0.04 -0.34 0.43 -1.49 0.00 0.00 0.00 179.25 177.90 2djr h TRP 11 N 0.00 0.00 -0.00 0.00 4.06 -1.89 0.26 115.95 118.38 2djr h TRP 11 Ca 0.05 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.00 2djr h TRP 11 Cb 0.62 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.78 2djr h TRP 11 CO 0.00 0.00 0.01 0.93 -3.56 0.00 0.00 178.44 175.82 2djr h GLU 12 N 0.00 0.00 -0.47 0.49 5.08 -1.42 0.12 114.58 118.38 2djr h GLU 12 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2djr h GLU 12 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2djr h GLU 12 CO -0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 2djr n TYR 13 N -3.15 1.45 -3.73 4.33 4.02 0.91 -4.85 117.16 116.14 2djr n TYR 13 Ca -0.03 -0.74 -0.13 0.00 -0.01 0.00 0.00 57.90 57.00 2djr n TYR 13 Cb 0.08 -0.35 -0.08 0.00 -0.02 0.00 0.00 39.34 38.97 2djr n TYR 13 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2djr s PHE 14 N -2.46 -0.18 -0.05 -0.72 0.40 0.43 0.23 117.98 115.63 2djr s PHE 14 Ca 0.47 0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.95 2djr s PHE 14 Cb 0.35 0.13 0.03 0.00 0.51 0.00 0.00 43.02 44.05 2djr s PHE 14 CO 0.16 -0.48 0.08 -3.38 0.70 0.00 0.00 175.22 172.30 2djr s HIS 15 N -2.05 -0.01 0.40 0.36 -3.43 0.20 -4.78 115.29 105.99 2djr s HIS 15 Ca -0.08 0.33 -0.26 0.00 -0.80 0.00 0.00 55.06 54.24 2djr s HIS 15 Cb -0.02 -0.37 -0.09 0.00 -1.43 0.00 0.00 32.58 30.66 2djr s HIS 15 CO 0.00 -0.19 1.35 -0.51 -2.00 0.00 0.00 174.74 173.39 2djr s LEU 16 N 1.98 4.23 0.01 5.38 1.43 -1.26 -0.84 118.68 129.60 2djr s LEU 16 Ca 0.02 2.75 -0.09 0.00 -1.03 0.00 0.00 54.13 55.78 2djr s LEU 16 Cb -0.12 -3.86 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 2djr s LEU 16 CO -0.04 -0.89 0.32 0.00 0.23 0.00 0.00 176.35 175.97 2djr s ALA 17 N -1.22 3.79 0.62 4.21 0.00 -1.25 -4.90 121.76 123.01 2djr s ALA 17 Ca 0.56 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 51.91 2djr s ALA 17 Cb -0.40 -2.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 2djr s ALA 17 CO 0.52 0.58 1.12 -1.25 0.00 0.00 0.00 175.76 176.73 2djr s PRO 18 N -1.54 2.97 -0.16 0.00 0.04 -1.26 -4.71 135.00 130.34 2djr s PRO 18 Ca 0.26 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 2djr s PRO 18 Cb -0.14 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2djr s PRO 18 CO 0.14 -1.13 -0.08 0.00 0.04 0.00 0.00 177.00 175.97 2djr s ALA 19 N -2.17 1.62 -0.21 8.56 0.00 -1.26 -5.00 121.76 123.29 2djr s ALA 19 Ca 0.69 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2djr s ALA 19 Cb -0.21 -1.09 0.22 0.00 0.00 0.00 0.00 23.12 22.04 2djr s ALA 19 CO 0.37 -0.62 1.64 2.89 0.00 0.00 0.00 175.76 180.03 2djr n ARG 20 N 4.84 1.55 -4.08 0.00 1.85 -1.26 -4.86 116.66 114.70 2djr n ARG 20 Ca -0.14 -1.21 -0.12 0.00 -1.00 0.00 0.00 57.85 55.39 2djr n ARG 20 Cb 0.48 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 30.36 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2djr s ALA 21 N -1.36 0.48 0.24 2.89 0.00 -1.26 -5.05 121.76 117.70 2djr s ALA 21 Ca 0.23 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.82 2djr s ALA 21 Cb 0.19 1.18 0.35 0.00 0.00 0.00 0.00 23.12 24.84 2djr s ALA 21 CO 0.02 -0.77 1.82 0.78 0.00 0.00 0.00 175.76 177.61 2djr h GLY 22 N 2.27 1.24 -5.50 0.00 0.00 -2.06 -3.44 103.07 95.58 2djr h GLY 22 Ca -0.29 -0.33 -0.73 0.00 0.00 0.00 0.00 47.33 45.98 2djr h GLY 22 CO 0.40 0.18 -0.20 1.42 0.00 0.00 0.00 176.54 178.34 2djr n HIS 23 N -4.71 0.14 -1.46 5.60 8.25 -1.26 -4.74 115.22 117.04 2djr n HIS 23 Ca 0.12 1.01 -0.46 0.00 -0.26 0.00 0.00 57.72 58.13 2djr n HIS 23 Cb 0.23 -2.01 -0.02 0.00 1.12 0.00 0.00 29.99 29.31 2djr n HIS 23 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2djr n HIS 24 N 0.83 -0.00 0.20 4.41 -0.00 -1.26 -4.85 115.22 114.54 2djr n HIS 24 Ca 0.19 0.84 0.06 0.00 -0.00 0.00 0.00 57.72 58.81 2djr n HIS 24 Cb 0.15 -2.05 0.40 0.00 -0.00 0.00 0.00 29.99 28.50 2djr n HIS 24 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2djr h PRO 25 N 1.27 0.00 -2.93 1.57 0.13 -1.89 -3.32 132.00 126.82 2djr h PRO 25 Ca -0.33 0.00 -0.80 0.00 -0.87 0.00 0.00 66.00 64.00 2djr h PRO 25 Cb 1.41 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.27 2djr h PRO 25 CO 0.57 0.34 0.99 0.09 -0.23 0.00 0.00 178.00 179.76 2djr n ASN 26 N -3.70 6.36 -0.12 1.44 5.03 -1.26 -4.54 115.26 118.46 2djr n ASN 26 Ca -0.01 -3.40 -0.26 0.00 0.87 0.00 0.00 54.58 51.78 2djr n ASN 26 Cb 0.44 -1.29 -0.11 0.00 -1.02 0.00 0.00 39.78 37.80 2djr n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2djr n GLN 27 N 1.53 0.59 -4.35 3.52 10.64 -1.25 -5.01 117.38 123.06 2djr n GLN 27 Ca 0.30 0.37 -0.18 0.00 -1.83 0.00 0.00 57.00 55.66 2djr n GLN 27 Cb 0.33 -1.59 -0.10 0.00 -0.86 0.00 0.00 30.24 28.01 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2djr s TYR 28 N -2.46 1.64 -0.00 2.61 1.51 -1.26 -4.45 117.35 114.94 2djr s TYR 28 Ca -0.34 -1.08 0.06 0.00 -1.01 0.00 0.00 57.07 54.70 2djr s TYR 28 Cb 0.11 -0.99 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 2djr s TYR 28 CO 0.55 -0.19 -0.19 0.00 -1.11 0.00 0.00 175.55 174.60 2djr s ALA 29 N -3.58 1.57 -0.38 3.71 0.00 0.13 -3.84 121.76 119.37 2djr s ALA 29 Ca 0.35 -0.85 -0.13 0.00 0.00 0.00 0.00 51.96 51.34 2djr s ALA 29 Cb 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2djr s ALA 29 CO 0.13 0.38 0.24 0.99 0.00 0.00 0.00 175.76 177.50 2djr s THR 30 N -0.51 4.89 -0.19 0.00 2.01 -0.02 -0.24 115.64 121.58 2djr s THR 30 Ca 0.07 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 61.08 2djr s THR 30 Cb -0.07 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2djr s THR 30 CO -0.00 -0.23 2.07 0.00 -0.69 0.00 0.00 174.62 175.77 2djr n ARG 32 N 8.43 0.32 -0.08 0.00 1.74 0.14 0.99 116.66 128.20 2djr n ARG 32 Ca 0.26 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 57.33 2djr n ARG 32 Cb 0.45 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2djr n ARG 32 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2djr h LEU 33 N 0.00 0.00 0.00 0.55 3.38 -1.88 -3.44 115.31 113.93 2djr h LEU 33 Ca 0.00 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 2djr h LEU 33 Cb 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2djr h LEU 33 CO 0.00 1.00 -1.79 0.00 0.09 0.00 0.00 178.44 177.75 2djr n GLY 35 N 2.59 1.91 3.90 0.00 0.00 0.28 -5.03 105.19 108.84 2djr n GLY 35 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 2djr n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2djr s ARG 36 N -0.76 3.48 -0.20 1.61 0.52 -1.25 -4.71 118.95 117.64 2djr s ARG 36 Ca 0.00 -0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 54.70 2djr s ARG 36 Cb 0.00 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.38 2djr s ARG 36 CO 0.00 0.66 0.87 -0.65 0.02 0.00 0.00 175.30 176.21 2djr s GLN 37 N -1.90 4.26 -0.09 3.54 -1.52 -1.26 -1.13 119.66 121.56 2djr s GLN 37 Ca 0.28 1.06 0.03 0.00 -1.95 0.00 0.00 55.36 54.77 2djr s GLN 37 Cb -0.13 -3.60 0.01 0.00 -0.22 0.00 0.00 33.01 29.07 2djr s GLN 37 CO 0.18 -0.43 -0.16 0.08 -0.25 0.00 0.00 175.29 174.70 2djr s VAL 38 N 2.52 1.51 0.56 1.09 1.01 0.67 -4.90 120.40 122.85 2djr s VAL 38 Ca 0.39 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2djr s VAL 38 Cb -0.16 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2djr s VAL 38 CO 0.10 0.44 0.86 -0.55 0.00 0.00 0.00 175.10 175.95 2djr s SER 39 N 0.68 5.69 -0.12 3.32 0.15 -1.26 -0.69 113.70 121.46 2djr s SER 39 Ca -0.13 0.67 -0.13 0.00 0.70 0.00 0.00 55.95 57.06 2djr s SER 39 Cb -0.16 -1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 2djr s SER 39 CO 0.03 -0.97 -0.26 0.54 1.20 0.00 0.00 173.24 173.79 2djr n ARG 40 N -2.48 0.39 -0.05 5.44 1.74 -1.26 -4.81 116.66 115.63 2djr n ARG 40 Ca 0.04 0.16 0.01 0.00 -0.77 0.00 0.00 57.85 57.28 2djr n ARG 40 Cb 0.57 -1.18 -0.00 0.00 -1.02 0.00 0.00 32.46 30.83 2djr n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2djr n GLY 41 N 1.68 -1.67 3.64 -0.13 0.00 -1.26 -4.51 105.19 102.95 2djr n GLY 41 Ca -0.10 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 2djr n GLY 41 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djr s PRO 42 N -1.61 4.00 0.00 1.61 0.04 -1.26 -3.09 135.00 134.69 2djr s PRO 42 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2djr s PRO 42 Cb 0.00 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.57 2djr s PRO 42 CO 0.00 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.40 2djr n GLY 43 N 4.30 1.03 0.35 0.56 0.00 -1.26 -4.96 105.19 105.21 2djr n GLY 43 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 2djr n GLY 43 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2djr h VAL 44 N 0.00 0.21 -0.53 1.61 3.04 -1.77 -1.45 116.25 117.35 2djr h VAL 44 Ca 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 2djr h VAL 44 Cb 0.00 0.72 -0.06 0.00 -2.01 0.00 0.00 31.29 29.94 2djr h VAL 44 CO 0.00 0.00 0.19 -0.55 -1.01 0.00 0.00 177.57 176.20 2djr h ASN 45 N 0.00 0.19 -3.35 3.17 7.08 -1.93 -3.39 115.58 117.35 2djr h ASN 45 Ca 0.08 0.07 -0.54 0.00 -3.08 0.00 0.00 56.30 52.83 2djr h ASN 45 Cb 0.71 0.05 -0.39 0.00 -2.08 0.00 0.00 38.32 36.60 2djr h ASN 45 CO -0.00 0.13 -0.77 0.54 -2.08 0.00 0.00 177.43 175.25 2djr s VAL 46 N -6.12 0.79 0.00 6.14 0.11 -0.55 -5.09 120.40 115.69 2djr s VAL 46 Ca -0.13 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 2djr s VAL 46 Cb 0.15 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2djr s VAL 46 CO 0.73 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 173.00 2djr n GLY 47 N 4.96 2.19 3.43 6.54 0.00 -1.26 -4.95 105.19 116.10 2djr n GLY 47 Ca -0.10 -2.00 -0.47 0.00 0.00 0.00 0.00 46.02 43.45 2djr n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2djr n THR 48 N -1.54 0.01 -1.68 2.61 -1.04 -1.26 -4.79 114.28 106.59 2djr n THR 48 Ca 0.00 -0.12 -0.45 0.00 -2.04 0.00 0.00 64.05 61.45 2djr n THR 48 Cb 0.00 -0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 67.59 2djr n THR 48 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2djr n THR 49 N 7.24 0.26 -0.51 12.58 -1.04 -1.26 -4.78 114.28 126.77 2djr n THR 49 Ca 0.57 -0.05 0.39 0.00 -2.04 0.00 0.00 64.05 62.92 2djr n THR 49 Cb 0.09 -1.85 0.61 0.00 -1.82 0.00 0.00 70.33 67.36 2djr n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2djr n ALA 50 N 4.95 1.38 -0.02 2.41 0.00 -1.26 0.19 120.51 128.15 2djr n ALA 50 Ca 0.19 0.56 -0.11 0.00 0.00 0.00 0.00 53.44 54.08 2djr n ALA 50 Cb 0.32 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 2djr n ALA 50 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2djr h LEU 51 N 0.00 0.16 -0.47 0.00 3.38 -1.88 -2.72 115.31 113.78 2djr h LEU 51 Ca 0.73 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.67 2djr h LEU 51 Cb 2.77 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 43.42 2djr h LEU 51 CO -0.11 0.20 0.16 -0.50 0.09 0.00 0.00 178.44 178.28 2djr h TRP 52 N 0.10 0.28 -0.71 1.13 4.06 0.17 0.68 115.95 121.66 2djr h TRP 52 Ca 0.04 0.02 0.13 0.00 2.06 0.00 0.00 58.89 61.15 2djr h TRP 52 Cb 0.08 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.14 2djr h TRP 52 CO -0.04 0.09 0.47 0.87 -3.56 0.00 0.00 178.44 176.27 2djr h LYS 53 N 0.33 0.42 0.15 0.49 1.57 -1.43 0.59 116.57 118.69 2djr h LYS 53 Ca 0.23 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.69 2djr h LYS 53 Cb 0.24 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.48 2djr h LYS 53 CO -0.24 0.28 -1.28 1.25 -0.57 0.00 0.00 179.45 178.89 2djr h HIS 54 N 0.43 0.78 0.04 -1.35 2.76 -0.84 -2.35 115.15 114.62 2djr h HIS 54 Ca 0.34 -0.53 -0.00 0.00 -2.20 0.00 0.00 60.37 57.98 2djr h HIS 54 Cb 0.73 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2djr h HIS 54 CO -0.00 1.40 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.94 2djr h LEU 55 N 0.16 -0.04 -0.06 0.26 3.38 0.39 -1.26 115.31 118.14 2djr h LEU 55 Ca -0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2djr h LEU 55 Cb 1.97 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2djr h LEU 55 CO 0.23 0.18 0.00 0.29 0.09 0.00 0.00 178.44 179.23 2djr n LYS 56 N -5.01 0.04 0.07 1.13 5.02 0.07 0.25 118.16 119.73 2djr n LYS 56 Ca -0.08 0.16 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 2djr n LYS 56 Cb 0.14 -1.55 -0.15 0.00 -0.02 0.00 0.00 35.03 33.45 2djr n LYS 56 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2djr h SER 57 N 0.00 0.61 0.00 4.39 0.02 -1.00 -3.36 113.55 114.21 2djr h SER 57 Ca 0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2djr h SER 57 Cb 0.40 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2djr h SER 57 CO 0.00 1.73 -0.82 1.15 -1.14 0.00 0.00 176.83 177.76 2djr n MET 58 N -3.70 1.43 -0.74 3.45 0.00 -0.51 -4.71 117.12 112.34 2djr n MET 58 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.40 2djr n MET 58 Cb 1.04 -0.91 0.19 0.00 0.00 0.00 0.00 33.22 33.54 2djr n MET 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2djr n HIS 59 N -2.06 1.81 -0.30 3.17 8.25 0.69 -4.50 115.22 122.29 2djr n HIS 59 Ca 0.00 -1.01 0.20 0.00 -0.26 0.00 0.00 57.72 56.65 2djr n HIS 59 Cb 0.41 -0.57 0.48 0.00 1.12 0.00 0.00 29.99 31.42 2djr n HIS 59 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2djr h ARG 60 N 1.63 0.45 -0.09 -0.41 2.43 -0.30 -0.10 114.38 117.99 2djr h ARG 60 Ca 0.24 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2djr h ARG 60 Cb 1.94 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2djr h ARG 60 CO 0.57 0.30 -0.39 0.93 -1.51 0.00 0.00 179.97 179.86 2djr h GLU 61 N 0.46 0.42 -0.67 0.20 5.08 -1.85 -2.65 114.58 115.57 2djr h GLU 61 Ca 0.55 -0.34 0.10 0.00 -1.00 0.00 0.00 59.36 58.68 2djr h GLU 61 Cb 1.29 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.54 2djr h GLU 61 CO -0.27 0.97 0.29 1.49 -1.00 0.00 0.00 179.01 180.49 2djr h GLU 62 N -0.03 0.48 0.71 2.33 4.22 -1.39 -0.85 114.58 120.05 2djr h GLU 62 Ca -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 2djr h GLU 62 Cb 1.04 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.19 2djr h GLU 62 CO 0.08 0.32 -0.34 -0.07 -2.18 0.00 0.00 179.01 176.82 2djr h LEU 63 N 0.49 -0.80 -0.94 1.64 3.38 -1.34 -1.36 115.31 116.37 2djr h LEU 63 Ca 0.34 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.59 2djr h LEU 63 Cb 0.42 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.23 2djr h LEU 63 CO -0.31 -0.43 0.38 -0.33 0.09 0.00 0.00 178.44 177.84 2djr h GLU 64 N -1.21 0.26 -0.10 1.13 5.08 -1.25 0.12 114.58 118.61 2djr h GLU 64 Ca -0.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 2djr h GLU 64 Cb 0.74 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2djr h GLU 64 CO 0.16 0.17 -0.00 0.87 -1.00 0.00 0.00 179.01 179.21 2djr h LYS 65 N 0.27 0.17 -3.62 2.33 1.57 -1.09 -3.34 116.57 112.85 2djr h LYS 65 Ca 0.63 -0.06 -0.80 0.00 -1.87 0.00 0.00 60.65 58.56 2djr h LYS 65 Cb 1.35 -0.01 -0.27 0.00 0.08 0.00 0.00 32.23 33.37 2djr h LYS 65 CO -0.63 0.43 0.51 0.43 -0.57 0.00 0.00 179.45 179.62 2djr n SER 66 N -4.82 5.52 0.00 0.86 7.64 0.40 -5.01 113.62 118.21 2djr n SER 66 Ca -0.06 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.78 2djr n SER 66 Cb 0.20 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2djr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djr n GLY 67 N 2.74 1.45 4.43 0.23 0.00 -1.16 -4.72 105.19 108.16 2djr n GLY 67 Ca 0.25 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 2djr n GLY 67 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2djr n HIS 68 N 6.76 -1.33 -3.19 1.61 8.25 -1.26 -4.10 115.22 121.96 2djr n HIS 68 Ca 0.00 0.71 -0.42 0.00 -0.26 0.00 0.00 57.72 57.75 2djr n HIS 68 Cb 0.00 -2.26 -0.07 0.00 1.12 0.00 0.00 29.99 28.77 2djr n HIS 68 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2djr s GLY 69 N -3.38 1.79 -1.31 -1.41 0.00 -1.26 -4.26 107.32 97.48 2djr s GLY 69 Ca 0.73 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 44.32 2djr s GLY 69 CO 1.00 1.37 1.00 -1.06 0.00 0.00 0.00 173.10 175.41 2djr n GLN 70 N 5.92 -6.58 0.01 2.90 1.13 -1.26 -4.90 117.38 114.60 2djr n GLN 70 Ca -0.03 0.77 -0.21 0.00 -1.94 0.00 0.00 57.00 55.59 2djr n GLN 70 Cb 0.48 -5.70 -0.14 0.00 0.11 0.00 0.00 30.24 25.00 2djr n GLN 70 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2djr h SER 71 N -2.16 0.37 0.23 1.08 0.87 -1.96 -2.86 113.55 109.12 2djr h SER 71 Ca -0.59 -0.86 -0.01 0.00 -1.23 0.00 0.00 61.79 59.10 2djr h SER 71 Cb 1.36 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2djr h SER 71 CO 0.55 1.55 -0.11 1.23 -0.53 0.00 0.00 176.83 179.52 2djr h GLY 72 N -0.09 -0.33 1.59 5.77 0.00 -1.91 -3.23 103.07 104.87 2djr h GLY 72 Ca -0.27 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2djr h GLY 72 CO 0.06 -0.12 0.00 -1.55 0.00 0.00 0.00 176.54 174.93 2djr n PRO 73 N -3.24 0.20 -4.06 4.80 -0.04 -1.26 -4.73 135.00 126.66 2djr n PRO 73 Ca -0.04 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.25 2djr n PRO 73 Cb 0.12 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2djr n PRO 73 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2djr n SER 74 N -1.30 -3.72 -4.19 3.54 7.64 -1.09 -1.22 113.62 113.29 2djr n SER 74 Ca 0.07 -0.91 -0.33 0.00 1.01 0.00 0.00 58.87 58.71 2djr n SER 74 Cb 0.12 -3.30 -0.08 0.00 -1.01 0.00 0.00 64.21 59.94 2djr n SER 74 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2djr n SER 75 N -2.76 -0.46 0.00 6.43 2.88 -1.18 -5.02 113.62 113.51 2djr n SER 75 Ca 0.03 -1.13 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 2djr n SER 75 Cb 0.52 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42