#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 5.53 -1.12 1.61 0.01 -1.26 -5.01 113.70 113.46 2djr s SER 2 Ca 0.00 0.07 -0.24 0.00 1.31 0.00 0.00 55.95 57.09 2djr s SER 2 Cb 0.00 -1.53 -0.11 0.00 0.21 0.00 0.00 66.02 64.59 2djr s SER 2 CO 0.00 0.24 1.98 -0.55 0.41 0.00 0.00 173.24 175.32 2djr s SER 3 N -1.94 4.74 0.01 2.44 0.15 -1.26 -4.81 113.70 113.04 2djr s SER 3 Ca 0.25 -1.37 -0.28 0.00 0.70 0.00 0.00 55.95 55.24 2djr s SER 3 Cb -0.12 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.70 2djr s SER 3 CO 0.16 -3.35 0.84 -0.83 1.20 0.00 0.00 173.24 171.26 2djr s GLY 4 N 7.16 -0.48 -0.82 9.45 0.00 -1.26 -5.10 107.32 116.27 2djr s GLY 4 Ca 0.72 0.99 -0.04 0.00 0.00 0.00 0.00 44.72 46.39 2djr s GLY 4 CO 0.12 0.36 0.69 -0.45 0.00 0.00 0.00 173.10 173.83 2djr s SER 5 N -2.41 5.89 -0.30 1.64 0.15 -1.26 -4.97 113.70 112.44 2djr s SER 5 Ca 0.03 -3.36 -0.05 0.00 0.70 0.00 0.00 55.95 53.27 2djr s SER 5 Cb -0.01 -1.93 0.17 0.00 -1.71 0.00 0.00 66.02 62.54 2djr s SER 5 CO -0.09 -0.28 0.69 -0.55 1.20 0.00 0.00 173.24 174.22 2djr s SER 6 N 0.39 -1.17 0.00 5.45 0.15 -1.26 -5.09 113.70 112.18 2djr s SER 6 Ca 0.23 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2djr s SER 6 Cb -0.12 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 2djr s SER 6 CO -0.09 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2djr n GLY 7 N 5.41 0.51 2.14 9.45 0.00 -1.26 -4.64 105.19 116.80 2djr n GLY 7 Ca -0.05 0.62 -0.03 0.00 0.00 0.00 0.00 46.02 46.57 2djr n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2djr n SER 8 N 2.23 -1.45 -0.02 1.61 3.41 -1.26 -4.73 113.62 113.41 2djr n SER 8 Ca 0.00 0.33 -0.15 0.00 -0.26 0.00 0.00 58.87 58.79 2djr n SER 8 Cb 0.00 -1.44 -0.14 0.00 -0.26 0.00 0.00 64.21 62.37 2djr n SER 8 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2djr n GLU 9 N -2.20 0.70 -0.25 4.33 2.13 -1.26 -4.07 120.64 120.01 2djr n GLU 9 Ca -0.03 0.26 0.32 0.00 0.66 0.00 0.00 57.16 58.37 2djr n GLU 9 Cb 0.41 -1.73 0.74 0.00 0.27 0.00 0.00 31.44 31.13 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djr h ALA 10 N 0.53 2.99 -0.73 4.31 0.00 -1.98 0.27 119.26 124.63 2djr h ALA 10 Ca -0.37 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 54.71 2djr h ALA 10 Cb 2.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 2djr h ALA 10 CO 0.07 -1.30 0.52 -1.49 0.00 0.00 0.00 179.25 177.05 2djr h TRP 11 N 0.00 0.03 -0.05 0.00 4.06 -1.89 0.27 115.95 118.37 2djr h TRP 11 Ca 0.50 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.46 2djr h TRP 11 Cb 2.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 30.17 2djr h TRP 11 CO 0.00 0.01 0.17 0.93 -3.56 0.00 0.00 178.44 175.99 2djr h GLU 12 N 0.03 0.00 -0.50 0.49 5.08 -0.73 0.37 114.58 119.31 2djr h GLU 12 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2djr h GLU 12 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2djr h GLU 12 CO -0.01 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.66 2djr n TYR 13 N -3.22 1.55 -3.73 4.33 4.02 0.94 -4.88 117.16 116.17 2djr n TYR 13 Ca -0.01 -0.73 -0.11 0.00 -0.01 0.00 0.00 57.90 57.04 2djr n TYR 13 Cb 0.25 -0.37 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 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 -2.47 -0.12 -0.03 -0.72 0.40 0.13 -0.19 117.98 114.98 2djr s PHE 14 Ca 0.49 -0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.73 2djr s PHE 14 Cb 0.36 0.13 0.03 0.00 0.51 0.00 0.00 43.02 44.05 2djr s PHE 14 CO 0.16 -0.57 -0.00 -3.38 0.70 0.00 0.00 175.22 172.13 2djr s HIS 15 N -3.04 0.36 0.45 0.36 -3.43 0.15 -4.81 115.29 105.34 2djr s HIS 15 Ca -0.02 -0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 54.00 2djr s HIS 15 Cb 0.01 -0.43 -0.08 0.00 -1.43 0.00 0.00 32.58 30.65 2djr s HIS 15 CO -0.06 -0.14 1.13 -0.51 -2.00 0.00 0.00 174.74 173.16 2djr s LEU 16 N 1.01 4.01 0.31 5.38 1.43 -1.26 -0.51 118.68 129.04 2djr s LEU 16 Ca -0.10 2.21 -0.05 0.00 -1.03 0.00 0.00 54.13 55.17 2djr s LEU 16 Cb -0.14 -4.28 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 2djr s LEU 16 CO -0.02 -0.84 0.57 0.00 0.23 0.00 0.00 176.35 176.30 2djr s ALA 17 N -1.61 3.61 0.34 4.21 0.00 -1.25 -4.91 121.76 122.14 2djr s ALA 17 Ca 0.63 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 2djr s ALA 17 Cb -0.26 -2.31 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 2djr s ALA 17 CO 0.32 0.18 1.21 -1.25 0.00 0.00 0.00 175.76 176.22 2djr s PRO 18 N -3.69 4.31 -0.27 0.00 0.04 -1.26 -4.55 135.00 129.58 2djr s PRO 18 Ca 0.44 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 2djr s PRO 18 Cb -0.11 -2.96 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 2djr s PRO 18 CO 0.31 -0.15 1.58 0.00 0.04 0.00 0.00 177.00 178.78 2djr s ALA 19 N -1.24 3.20 -0.14 8.56 0.00 -1.26 -4.84 121.76 126.04 2djr s ALA 19 Ca 0.51 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.73 2djr s ALA 19 Cb -0.35 -3.87 -0.07 0.00 0.00 0.00 0.00 23.12 18.83 2djr s ALA 19 CO 0.45 -2.07 -0.17 0.54 0.00 0.00 0.00 175.76 174.51 2djr n ARG 20 N 7.77 0.31 -0.61 0.00 5.12 -1.26 -4.61 116.66 123.38 2djr n ARG 20 Ca 0.19 0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 56.15 2djr n ARG 20 Cb 0.46 -1.06 0.02 0.00 -1.16 0.00 0.00 32.46 30.73 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2djr n ALA 21 N -3.52 4.28 0.00 7.54 0.00 -1.26 -4.87 120.51 122.69 2djr n ALA 21 Ca -0.28 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2djr n ALA 21 Cb 0.71 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2djr n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djr n GLY 22 N 0.76 1.26 2.70 0.00 0.00 -1.26 -4.93 105.19 103.73 2djr n GLY 22 Ca 0.15 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2djr n GLY 22 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2djr n HIS 23 N 0.00 -0.13 -1.15 1.61 8.25 -1.26 -4.75 115.22 117.79 2djr n HIS 23 Ca 0.00 0.78 -0.38 0.00 -0.26 0.00 0.00 57.72 57.87 2djr n HIS 23 Cb 0.00 -1.57 0.03 0.00 1.12 0.00 0.00 29.99 29.56 2djr n HIS 23 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2djr n HIS 24 N 0.34 -3.60 0.85 4.41 -0.00 -1.26 -4.53 115.22 111.43 2djr n HIS 24 Ca 0.15 0.26 0.08 0.00 -0.00 0.00 0.00 57.72 58.20 2djr n HIS 24 Cb 0.16 -1.61 0.42 0.00 -0.00 0.00 0.00 29.99 28.96 2djr n HIS 24 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2djr n PRO 25 N 1.68 0.36 -1.00 -1.40 -0.04 -1.26 -3.53 135.00 129.81 2djr n PRO 25 Ca 0.04 0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 2djr n PRO 25 Cb 0.51 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2djr n PRO 25 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2djr n ASN 26 N -1.13 6.36 0.00 3.54 3.02 -1.26 -3.83 115.26 121.96 2djr n ASN 26 Ca 0.10 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 2djr n ASN 26 Cb 0.08 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 2djr n ASN 26 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2djr n GLN 27 N 0.61 0.00 -4.56 3.52 7.27 -1.23 -4.99 117.38 118.00 2djr n GLN 27 Ca 0.33 0.25 -0.29 0.00 0.07 0.00 0.00 57.00 57.35 2djr n GLN 27 Cb 0.58 -0.75 -0.08 0.00 2.41 0.00 0.00 30.24 32.40 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2djr s TYR 28 N -0.51 2.21 -0.10 3.69 1.51 -1.26 -4.55 117.35 118.34 2djr s TYR 28 Ca 0.00 -0.78 0.01 0.00 -1.01 0.00 0.00 57.07 55.29 2djr s TYR 28 Cb 0.00 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 2djr s TYR 28 CO 0.00 0.26 -0.11 0.00 -1.11 0.00 0.00 175.55 174.59 2djr s ALA 29 N -2.77 1.40 -0.29 3.71 0.00 -0.84 -3.78 121.76 119.19 2djr s ALA 29 Ca 0.24 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.43 2djr s ALA 29 Cb 0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2djr s ALA 29 CO 0.13 -0.18 0.68 0.99 0.00 0.00 0.00 175.76 177.38 2djr s THR 30 N 1.23 4.90 -0.03 0.00 2.01 0.34 -0.22 115.64 123.86 2djr s THR 30 Ca -0.03 1.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 2djr s THR 30 Cb -0.14 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.27 2djr s THR 30 CO -0.03 -0.13 1.78 0.00 -0.69 0.00 0.00 174.62 175.55 2djr n ARG 32 N 7.33 1.05 -0.11 0.00 1.74 0.74 -0.43 116.66 126.97 2djr n ARG 32 Ca 0.18 -0.07 -0.21 0.00 -0.77 0.00 0.00 57.85 56.98 2djr n ARG 32 Cb 0.42 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 2djr n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2djr n LEU 33 N -0.91 1.87 -0.04 0.55 4.77 -1.25 -4.78 117.00 117.22 2djr n LEU 33 Ca 0.23 0.43 -0.05 0.00 -0.03 0.00 0.00 56.01 56.59 2djr n LEU 33 Cb 0.13 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.25 2djr n LEU 33 CO 0.18 0.24 -0.74 0.00 -1.33 0.00 0.00 177.39 175.74 2djr n GLY 35 N 3.02 1.80 3.88 0.00 0.00 0.43 -5.04 105.19 109.28 2djr n GLY 35 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.38 3.54 -0.06 1.61 0.52 -1.25 -4.71 118.95 118.21 2djr s ARG 36 Ca 0.00 -0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 54.83 2djr s ARG 36 Cb 0.00 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 2djr s ARG 36 CO 0.00 0.70 0.93 -0.65 0.02 0.00 0.00 175.30 176.30 2djr s GLN 37 N -1.50 4.46 -0.18 3.54 1.11 -1.26 -0.85 119.66 125.00 2djr s GLN 37 Ca 0.23 1.28 -0.02 0.00 0.01 0.00 0.00 55.36 56.85 2djr s GLN 37 Cb -0.13 -3.50 0.05 0.00 -1.01 0.00 0.00 33.01 28.43 2djr s GLN 37 CO 0.12 -0.15 0.02 0.08 0.01 0.00 0.00 175.29 175.37 2djr s VAL 38 N 1.44 0.56 0.09 1.09 1.01 0.69 -4.94 120.40 120.35 2djr s VAL 38 Ca 0.47 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.90 2djr s VAL 38 Cb -0.19 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 2djr s VAL 38 CO 0.21 -0.12 0.36 -0.94 0.00 0.00 0.00 175.10 174.61 2djr s SER 39 N 1.85 6.53 -0.20 3.32 1.04 -1.26 -1.99 113.70 123.00 2djr s SER 39 Ca -0.00 0.64 -0.16 0.00 0.48 0.00 0.00 55.95 56.91 2djr s SER 39 Cb -0.16 -2.11 -0.11 0.00 0.10 0.00 0.00 66.02 63.74 2djr s SER 39 CO -0.07 0.14 -0.10 0.54 0.98 0.00 0.00 173.24 174.73 2djr n ARG 40 N 0.57 0.53 0.00 4.02 1.74 -1.26 -4.97 116.66 117.29 2djr n ARG 40 Ca -0.06 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2djr n ARG 40 Cb 0.52 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.46 0.75 0.00 -0.13 0.00 -1.26 -4.74 105.19 101.27 2djr n GLY 41 Ca -0.26 -1.84 0.06 0.00 0.00 0.00 0.00 46.02 43.98 2djr n GLY 41 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djr n PRO 42 N -1.83 0.49 -2.65 1.61 -0.04 -1.26 -4.04 135.00 127.28 2djr n PRO 42 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2djr n PRO 42 Cb 0.00 -1.36 0.09 0.00 -0.04 0.00 0.00 33.50 32.19 2djr n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2djr n GLY 43 N -0.02 -1.99 3.55 0.55 0.00 -1.26 -5.14 105.19 100.88 2djr n GLY 43 Ca 0.08 1.11 -0.49 0.00 0.00 0.00 0.00 46.02 46.72 2djr n GLY 43 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djr n VAL 44 N 1.35 1.06 -2.29 1.61 3.14 -1.26 -4.90 118.33 117.04 2djr n VAL 44 Ca -0.01 -0.27 -0.36 0.00 -2.96 0.00 0.00 64.34 60.75 2djr n VAL 44 Cb 0.73 -0.70 -0.01 0.00 -1.06 0.00 0.00 33.84 32.80 2djr n VAL 44 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2djr s ASN 45 N -0.17 5.97 -1.03 6.55 2.20 -1.26 -4.93 114.94 122.26 2djr s ASN 45 Ca 0.72 2.20 -0.23 0.00 -0.94 0.00 0.00 52.86 54.61 2djr s ASN 45 Cb -0.88 -2.59 0.05 0.00 -2.00 0.00 0.00 41.25 35.83 2djr s ASN 45 CO 0.54 -1.05 1.49 -0.69 -2.94 0.00 0.00 177.10 174.45 2djr s VAL 46 N -1.70 3.90 0.00 3.54 1.01 -1.26 -4.62 120.40 121.27 2djr s VAL 46 Ca 0.68 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2djr s VAL 46 Cb -0.25 -5.01 0.00 0.00 0.00 0.00 0.00 36.38 31.12 2djr s VAL 46 CO 0.29 -1.89 0.00 0.61 0.00 0.00 0.00 175.10 174.11 2djr n GLY 47 N 6.81 -0.54 3.57 4.51 0.00 -1.26 -5.05 105.19 113.23 2djr n GLY 47 Ca 0.34 0.62 -0.42 0.00 0.00 0.00 0.00 46.02 46.56 2djr n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2djr s THR 48 N 0.00 4.05 -0.12 2.61 2.01 -1.26 -4.87 115.64 118.06 2djr s THR 48 Ca 0.00 -1.54 -0.41 0.00 0.31 0.00 0.00 61.69 60.04 2djr s THR 48 Cb 0.00 -5.15 -0.19 0.00 0.01 0.00 0.00 72.50 67.17 2djr s THR 48 CO 0.00 -1.99 1.26 0.41 -0.69 0.00 0.00 174.62 173.61 2djr n THR 49 N 6.57 0.02 -0.37 -0.82 -1.04 -1.26 -4.72 114.28 112.65 2djr n THR 49 Ca 0.44 -0.00 0.33 0.00 -2.04 0.00 0.00 64.05 62.78 2djr n THR 49 Cb 0.48 -0.28 0.57 0.00 -1.82 0.00 0.00 70.33 69.27 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 2.42 1.11 -0.08 2.41 0.00 -1.26 0.12 120.51 125.23 2djr n ALA 50 Ca 0.23 0.79 -0.07 0.00 0.00 0.00 0.00 53.44 54.39 2djr n ALA 50 Cb 0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.22 -0.67 0.00 3.38 -1.92 -2.13 115.31 113.75 2djr h LEU 51 Ca 0.76 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.95 2djr h LEU 51 Cb 2.32 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 43.12 2djr h LEU 51 CO -0.48 -0.07 -0.00 -0.50 0.09 0.00 0.00 178.44 177.47 2djr h TRP 52 N 0.03 -0.06 -0.99 1.13 4.06 0.59 0.26 115.95 120.96 2djr h TRP 52 Ca 0.14 0.05 0.21 0.00 2.06 0.00 0.00 58.89 61.34 2djr h TRP 52 Cb 0.20 0.13 -0.10 0.00 -1.00 0.00 0.00 29.16 28.40 2djr h TRP 52 CO -0.26 -0.20 0.62 0.87 -3.56 0.00 0.00 178.44 175.91 2djr h LYS 53 N 0.11 0.63 -0.07 0.49 1.57 -1.40 0.23 116.57 118.12 2djr h LYS 53 Ca 0.35 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.91 2djr h LYS 53 Cb 0.59 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2djr h LYS 53 CO -0.58 0.41 -0.68 1.25 -0.57 0.00 0.00 179.45 179.28 2djr h HIS 54 N 0.64 0.82 0.01 -1.35 2.76 -0.47 -1.90 115.15 115.65 2djr h HIS 54 Ca 0.57 -0.40 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2djr h HIS 54 Cb 1.05 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.89 2djr h HIS 54 CO -0.00 1.21 -0.00 -0.07 -1.30 0.00 0.00 177.93 177.76 2djr h LEU 55 N 0.20 -0.01 0.00 0.26 3.38 0.45 -1.57 115.31 118.03 2djr h LEU 55 Ca -0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2djr h LEU 55 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2djr h LEU 55 CO 0.14 0.06 0.00 0.29 0.09 0.00 0.00 178.44 179.02 2djr n LYS 56 N -5.06 0.04 0.08 1.13 5.02 0.64 0.25 118.16 120.26 2djr n LYS 56 Ca -0.07 0.13 -0.23 0.00 -2.02 0.00 0.00 58.31 56.12 2djr n LYS 56 Cb 0.06 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 2djr n LYS 56 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2djr h SER 57 N 0.00 0.62 0.00 4.39 0.87 -0.51 -3.36 113.55 115.56 2djr h SER 57 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 2djr h SER 57 Cb 0.33 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2djr h SER 57 CO 0.00 1.69 -0.70 1.15 -0.53 0.00 0.00 176.83 178.44 2djr n MET 58 N -3.76 1.68 -0.84 2.24 0.00 -0.67 -4.73 117.12 111.04 2djr n MET 58 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.39 2djr n MET 58 Cb 1.02 -0.85 0.20 0.00 0.00 0.00 0.00 33.22 33.59 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 -1.80 2.05 -0.09 3.17 8.25 0.69 -4.48 115.22 123.01 2djr n HIS 59 Ca 0.00 -1.16 0.16 0.00 -0.26 0.00 0.00 57.72 56.46 2djr n HIS 59 Cb 0.35 -0.65 0.56 0.00 1.12 0.00 0.00 29.99 31.37 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 1.59 0.28 0.01 -0.41 2.43 -0.32 -1.43 114.38 116.52 2djr h ARG 60 Ca 0.31 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.31 2djr h ARG 60 Cb 2.13 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.63 2djr h ARG 60 CO 0.67 0.19 -0.58 0.93 -1.51 0.00 0.00 179.97 179.66 2djr h GLU 61 N 0.29 0.38 -0.41 0.20 4.39 -1.85 -3.15 114.58 114.44 2djr h GLU 61 Ca 0.31 -0.42 0.06 0.00 0.34 0.00 0.00 59.36 59.65 2djr h GLU 61 Cb 0.82 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 2djr h GLU 61 CO -0.07 1.10 0.09 0.93 -1.16 0.00 0.00 179.01 179.89 2djr h GLU 62 N -0.16 0.22 0.34 2.33 3.07 -1.63 -2.11 114.58 116.63 2djr h GLU 62 Ca -0.07 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2djr h GLU 62 Cb 1.31 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 2djr h GLU 62 CO 0.11 0.14 -0.42 -0.07 -1.40 0.00 0.00 179.01 177.38 2djr h LEU 63 N 0.22 -1.15 -0.70 1.33 3.38 -1.42 -2.49 115.31 114.48 2djr h LEU 63 Ca 0.20 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.42 2djr h LEU 63 Cb 0.23 0.40 -0.13 0.00 0.09 0.00 0.00 40.66 41.25 2djr h LEU 63 CO -0.25 -0.55 -0.08 -0.33 0.09 0.00 0.00 178.44 177.32 2djr h GLU 64 N -0.80 0.05 -0.92 1.13 4.39 -1.45 0.44 114.58 117.42 2djr h GLU 64 Ca -0.02 -0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.87 2djr h GLU 64 Cb 0.73 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.30 2djr h GLU 64 CO -0.11 0.03 0.60 0.87 -1.16 0.00 0.00 179.01 179.24 2djr h LYS 65 N 0.05 0.49 -1.16 2.33 1.57 -0.96 0.18 116.57 119.06 2djr h LYS 65 Ca 0.36 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 2djr h LYS 65 Cb 0.60 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 2djr h LYS 65 CO -0.67 0.32 0.19 0.43 -0.57 0.00 0.00 179.45 179.15 2djr n SER 66 N -4.56 3.83 -3.92 0.86 7.64 0.15 -4.83 113.62 112.80 2djr n SER 66 Ca 0.20 -2.51 -0.25 0.00 1.01 0.00 0.00 58.87 57.31 2djr n SER 66 Cb 0.65 -0.70 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.23 -0.24 3.15 0.23 0.00 0.62 -4.94 105.19 104.24 2djr n GLY 67 Ca 0.16 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 2djr n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djr s HIS 68 N -3.92 3.41 -0.04 1.61 3.76 -1.13 -5.02 115.29 113.96 2djr s HIS 68 Ca 0.01 -2.13 -0.02 0.00 -0.15 0.00 0.00 55.06 52.76 2djr s HIS 68 Cb -0.00 -2.53 0.02 0.00 1.11 0.00 0.00 32.58 31.17 2djr s HIS 68 CO 0.88 -0.87 0.09 0.20 -0.85 0.00 0.00 174.74 174.19 2djr s GLY 69 N 1.41 -0.03 -1.36 -2.22 0.00 -1.26 -4.11 107.32 99.74 2djr s GLY 69 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 44.72 45.02 2djr s GLY 69 CO -0.03 0.45 0.62 -1.06 0.00 0.00 0.00 173.10 173.08 2djr n GLN 70 N 3.45 -4.77 -0.50 2.90 1.13 -1.26 -4.86 117.38 113.47 2djr n GLN 70 Ca -0.17 0.80 -0.05 0.00 -1.94 0.00 0.00 57.00 55.63 2djr n GLN 70 Cb 0.56 -5.46 0.02 0.00 0.11 0.00 0.00 30.24 25.47 2djr n GLN 70 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2djr n SER 71 N -2.10 4.95 0.00 1.08 7.64 -1.26 -4.75 113.62 119.18 2djr n SER 71 Ca -0.09 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.27 2djr n SER 71 Cb 0.60 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djr n GLY 72 N 0.84 3.53 0.00 0.23 0.00 -1.26 -4.98 105.19 103.56 2djr n GLY 72 Ca 0.10 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2djr n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djr n PRO 73 N -0.25 0.21 -1.16 1.61 -0.04 -1.26 -3.60 135.00 130.52 2djr n PRO 73 Ca 0.00 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.41 2djr n PRO 73 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2djr n PRO 73 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2djr n SER 74 N -1.28 6.24 -2.29 3.54 3.41 -1.26 -4.49 113.62 117.48 2djr n SER 74 Ca 0.07 -3.01 -0.32 0.00 -0.26 0.00 0.00 58.87 55.35 2djr n SER 74 Cb 0.12 -1.19 0.06 0.00 -0.26 0.00 0.00 64.21 62.93 2djr n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2djr n SER 75 N 0.96 6.84 0.00 4.04 2.88 -1.24 -5.17 113.62 121.92 2djr n SER 75 Ca 0.39 -3.78 0.13 0.00 -1.33 0.00 0.00 58.87 54.28 2djr n SER 75 Cb 0.61 -0.79 0.79 0.00 -0.75 0.00 0.00 64.21 64.07 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42