#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 1.21 1.04 1.61 1.04 -1.26 -5.14 113.70 112.20 2djr s SER 2 Ca 0.00 -0.83 -0.24 0.00 0.48 0.00 0.00 55.95 55.37 2djr s SER 2 Cb 0.00 0.05 -0.09 0.00 0.10 0.00 0.00 66.02 66.07 2djr s SER 2 CO 0.00 -0.32 -0.95 -0.24 0.98 0.00 0.00 173.24 172.71 2djr n SER 3 N 0.53 -3.04 0.00 7.02 2.88 -1.26 -4.45 113.62 115.31 2djr n SER 3 Ca -0.16 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 2djr n SER 3 Cb 0.58 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2djr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 4 N 2.97 3.64 2.72 0.46 0.00 -1.26 -5.10 105.19 108.62 2djr n GLY 4 Ca -0.01 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2djr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2djr n SER 5 N 0.00 -0.69 -4.95 1.61 2.88 -1.26 -4.93 113.62 106.27 2djr n SER 5 Ca 0.00 0.90 -0.23 0.00 -1.33 0.00 0.00 58.87 58.22 2djr n SER 5 Cb 0.00 -0.75 0.01 0.00 -0.75 0.00 0.00 64.21 62.72 2djr n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2djr s SER 6 N -0.55 5.83 0.00 -3.46 1.04 -1.26 -4.73 113.70 110.57 2djr s SER 6 Ca 0.57 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2djr s SER 6 Cb -0.82 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2djr s SER 6 CO 0.45 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2djr n GLY 7 N -2.07 0.95 3.76 7.32 0.00 -1.26 -4.77 105.19 109.11 2djr n GLY 7 Ca 0.01 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 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 3.35 -1.46 -0.10 1.61 3.41 -1.26 -4.74 113.62 114.43 2djr n SER 8 Ca 0.00 -0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 57.78 2djr n SER 8 Cb 0.00 -1.31 -0.15 0.00 -0.26 0.00 0.00 64.21 62.49 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 -3.35 0.68 0.10 4.33 4.07 -1.26 -4.27 120.64 120.95 2djr n GLU 9 Ca 0.08 0.04 0.20 0.00 -0.06 0.00 0.00 57.16 57.42 2djr n GLU 9 Cb 0.42 -1.55 0.74 0.00 -0.06 0.00 0.00 31.44 30.99 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2djr h ALA 10 N 0.86 2.07 -0.77 4.31 0.00 -1.98 0.14 119.26 123.89 2djr h ALA 10 Ca -0.53 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.56 2djr h ALA 10 Cb 2.18 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.96 2djr h ALA 10 CO 0.02 -0.65 0.54 -1.49 0.00 0.00 0.00 179.25 177.66 2djr h TRP 11 N 0.00 0.22 0.00 0.00 -0.00 -1.90 0.29 115.95 114.56 2djr h TRP 11 Ca 0.19 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 2djr h TRP 11 Cb 1.09 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.18 2djr h TRP 11 CO 0.00 0.07 0.14 0.93 -0.00 0.00 0.00 178.44 179.58 2djr h GLU 12 N 0.18 0.00 -0.48 0.49 4.39 -1.26 0.41 114.58 118.30 2djr h GLU 12 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2djr h GLU 12 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2djr h GLU 12 CO -0.07 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.44 2djr n TYR 13 N -2.85 1.41 -3.75 4.33 4.02 0.10 -4.84 117.16 115.59 2djr n TYR 13 Ca -0.02 -0.71 -0.11 0.00 -0.01 0.00 0.00 57.90 57.05 2djr n TYR 13 Cb 0.20 -0.32 -0.07 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 -2.32 -0.08 -0.05 -0.72 0.40 0.14 0.13 117.98 115.48 2djr s PHE 14 Ca 0.47 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 2djr s PHE 14 Cb 0.34 0.10 0.03 0.00 0.51 0.00 0.00 43.02 44.00 2djr s PHE 14 CO 0.17 -0.55 0.10 -3.38 0.70 0.00 0.00 175.22 172.26 2djr s HIS 15 N -3.01 -0.09 0.43 0.36 -3.43 0.19 -4.80 115.29 104.94 2djr s HIS 15 Ca -0.02 0.35 -0.24 0.00 -0.80 0.00 0.00 55.06 54.35 2djr s HIS 15 Cb 0.01 -0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 30.95 2djr s HIS 15 CO -0.06 -0.13 1.22 -0.51 -2.00 0.00 0.00 174.74 173.25 2djr s LEU 16 N 1.06 4.11 0.26 5.38 1.43 -1.26 -0.04 118.68 129.62 2djr s LEU 16 Ca -0.08 2.44 -0.07 0.00 -1.03 0.00 0.00 54.13 55.39 2djr s LEU 16 Cb -0.11 -4.09 -0.06 0.00 0.03 0.00 0.00 46.19 41.96 2djr s LEU 16 CO -0.05 -0.88 0.54 0.00 0.23 0.00 0.00 176.35 176.20 2djr s ALA 17 N -1.41 3.62 0.21 4.21 0.00 -1.23 -4.89 121.76 122.27 2djr s ALA 17 Ca 0.60 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 2djr s ALA 17 Cb -0.33 -2.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.37 2djr s ALA 17 CO 0.41 0.37 1.29 -1.25 0.00 0.00 0.00 175.76 176.57 2djr s PRO 18 N -3.23 4.40 -0.00 0.00 0.04 -1.26 -4.69 135.00 130.27 2djr s PRO 18 Ca 0.45 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.55 2djr s PRO 18 Cb -0.11 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2djr s PRO 18 CO 0.27 -0.21 -0.00 0.00 0.04 0.00 0.00 177.00 177.09 2djr s ALA 19 N -0.06 3.28 -0.23 8.56 0.00 -1.26 -5.04 121.76 127.01 2djr s ALA 19 Ca 0.55 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 2djr s ALA 19 Cb -0.36 -1.34 -0.11 0.00 0.00 0.00 0.00 23.12 21.31 2djr s ALA 19 CO 0.39 0.65 -0.21 0.54 0.00 0.00 0.00 175.76 177.13 2djr n ARG 20 N 1.40 0.56 -2.07 0.00 1.74 -1.26 -4.99 116.66 112.04 2djr n ARG 20 Ca -0.15 0.35 -0.28 0.00 -0.77 0.00 0.00 57.85 57.01 2djr n ARG 20 Cb 0.53 -1.56 0.11 0.00 -1.02 0.00 0.00 32.46 30.52 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr s ALA 21 N -2.59 2.80 0.40 7.54 0.00 -1.26 -4.92 121.76 123.74 2djr s ALA 21 Ca -0.32 -0.99 0.26 0.00 0.00 0.00 0.00 51.96 50.90 2djr s ALA 21 Cb 0.09 -2.70 1.38 0.00 0.00 0.00 0.00 23.12 21.89 2djr s ALA 21 CO 0.47 -1.75 1.60 0.78 0.00 0.00 0.00 175.76 176.86 2djr h GLY 22 N -1.02 1.78 -6.01 0.00 0.00 -2.06 -3.41 103.07 92.34 2djr h GLY 22 Ca -0.44 -0.14 -0.65 0.00 0.00 0.00 0.00 47.33 46.10 2djr h GLY 22 CO 0.54 -0.59 1.15 1.42 0.00 0.00 0.00 176.54 179.07 2djr n HIS 23 N -4.96 0.97 -1.17 5.60 -0.00 -1.26 -4.80 115.22 109.61 2djr n HIS 23 Ca 0.38 0.64 -0.36 0.00 -0.00 0.00 0.00 57.72 58.38 2djr n HIS 23 Cb 1.37 -1.97 0.07 0.00 -0.00 0.00 0.00 29.99 29.46 2djr n HIS 23 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2djr n HIS 24 N 6.58 -1.33 0.97 4.41 -0.00 -1.26 -4.71 115.22 119.88 2djr n HIS 24 Ca 0.48 0.31 0.05 0.00 -0.00 0.00 0.00 57.72 58.56 2djr n HIS 24 Cb -0.03 -1.85 0.32 0.00 -0.00 0.00 0.00 29.99 28.43 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 -0.53 0.49 -1.03 -1.40 -0.04 -1.26 -3.55 135.00 127.68 2djr n PRO 25 Ca 0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 2djr n PRO 25 Cb 0.51 -1.34 0.04 0.00 -0.04 0.00 0.00 33.50 32.66 2djr n PRO 25 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2djr n ASN 26 N -0.84 6.70 0.00 3.54 2.85 -1.26 -4.12 115.26 122.13 2djr n ASN 26 Ca 0.08 -3.21 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 2djr n ASN 26 Cb 0.04 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 40.00 2djr n ASN 26 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2djr n GLN 27 N 0.16 0.00 -4.44 1.20 -0.06 -1.23 -4.91 117.38 108.10 2djr n GLN 27 Ca 0.38 0.38 -0.23 0.00 -2.00 0.00 0.00 57.00 55.52 2djr n GLN 27 Cb 0.59 -0.87 -0.13 0.00 -4.06 0.00 0.00 30.24 25.76 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2djr s TYR 28 N -0.98 1.62 -0.21 3.69 2.02 -1.26 -4.50 117.35 117.72 2djr s TYR 28 Ca 0.00 -0.39 -0.07 0.00 -0.37 0.00 0.00 57.07 56.24 2djr s TYR 28 Cb 0.00 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 2djr s TYR 28 CO 0.00 0.11 0.07 0.00 -1.57 0.00 0.00 175.55 174.16 2djr s ALA 29 N -0.95 3.32 -0.42 3.71 0.00 -0.35 -3.48 121.76 123.58 2djr s ALA 29 Ca 0.05 -0.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.89 2djr s ALA 29 Cb -0.09 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2djr s ALA 29 CO 0.02 -0.09 0.68 0.99 0.00 0.00 0.00 175.76 177.37 2djr s THR 30 N 0.88 4.79 0.16 0.00 2.01 0.94 -0.03 115.64 124.39 2djr s THR 30 Ca 0.04 0.31 -0.31 0.00 0.31 0.00 0.00 61.69 62.04 2djr s THR 30 Cb -0.14 -4.21 -0.11 0.00 0.01 0.00 0.00 72.50 68.05 2djr s THR 30 CO 0.03 -0.57 1.77 0.00 -0.69 0.00 0.00 174.62 175.15 2djr n ARG 32 N 4.94 1.45 -0.11 0.00 1.74 0.12 -1.21 116.66 123.58 2djr n ARG 32 Ca 0.17 -0.65 -0.24 0.00 -0.77 0.00 0.00 57.85 56.35 2djr n ARG 32 Cb 0.37 -1.47 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.19 1.95 -0.02 0.55 4.77 -1.25 -4.79 117.00 118.01 2djr n LEU 33 Ca 0.20 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.52 2djr n LEU 33 Cb 0.27 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.41 2djr n LEU 33 CO 0.16 0.41 -0.65 0.00 -1.33 0.00 0.00 177.39 175.98 2djr n GLY 35 N 3.19 1.84 3.78 0.00 0.00 -0.35 -5.04 105.19 108.61 2djr n GLY 35 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.56 3.25 -0.02 1.61 0.52 -1.26 -4.74 118.95 117.76 2djr s ARG 36 Ca 0.00 -0.26 -0.30 0.00 -0.52 0.00 0.00 55.73 54.65 2djr s ARG 36 Cb 0.00 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 2djr s ARG 36 CO 0.00 0.73 1.08 -0.65 0.02 0.00 0.00 175.30 176.48 2djr s GLN 37 N -0.92 4.46 -0.09 3.54 1.11 -1.26 -1.56 119.66 124.95 2djr s GLN 37 Ca 0.14 1.54 -0.02 0.00 0.01 0.00 0.00 55.36 57.03 2djr s GLN 37 Cb -0.12 -3.47 0.03 0.00 -1.01 0.00 0.00 33.01 28.44 2djr s GLN 37 CO 0.03 -0.24 0.01 0.08 0.01 0.00 0.00 175.29 175.18 2djr s VAL 38 N 1.49 0.39 0.63 1.09 1.01 0.96 -4.90 120.40 121.07 2djr s VAL 38 Ca 0.53 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 2djr s VAL 38 Cb -0.23 -0.61 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2djr s VAL 38 CO 0.25 0.19 0.96 -0.94 0.00 0.00 0.00 175.10 175.55 2djr s SER 39 N 1.96 5.44 -0.13 3.32 1.04 -1.26 -1.22 113.70 122.84 2djr s SER 39 Ca 0.04 0.75 -0.21 0.00 0.48 0.00 0.00 55.95 57.01 2djr s SER 39 Cb -0.13 -1.65 -0.25 0.00 0.10 0.00 0.00 66.02 64.09 2djr s SER 39 CO -0.06 -1.20 0.56 0.03 0.98 0.00 0.00 173.24 173.55 2djr h ARG 40 N -0.33 0.12 -0.62 4.02 2.47 -1.91 -3.46 114.38 114.67 2djr h ARG 40 Ca -0.45 -0.21 0.07 0.00 -1.26 0.00 0.00 59.98 58.13 2djr h ARG 40 Cb 1.27 0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.64 2djr h ARG 40 CO 0.61 1.10 -0.12 0.41 0.56 0.00 0.00 179.97 182.53 2djr n GLY 41 N 1.62 -1.62 3.57 0.04 0.00 -1.26 -4.50 105.19 103.04 2djr n GLY 41 Ca -0.22 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.58 2.99 0.00 1.61 0.04 -1.26 -3.97 135.00 132.83 2djr s PRO 42 Ca 0.00 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2djr s PRO 42 Cb 0.00 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2djr s PRO 42 CO 0.00 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.16 2djr n GLY 43 N 5.53 0.53 0.05 0.56 0.00 -1.26 -5.04 105.19 105.55 2djr n GLY 43 Ca 0.21 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.17 0.00 -0.10 1.61 3.14 -1.25 -4.64 118.33 116.91 2djr n VAL 44 Ca 0.00 -0.44 -0.11 0.00 -2.96 0.00 0.00 64.34 60.83 2djr n VAL 44 Cb 0.07 1.03 -0.14 0.00 -1.06 0.00 0.00 33.84 33.73 2djr n VAL 44 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2djr n ASN 45 N -0.70 0.72 -0.52 6.55 0.23 -1.26 -4.16 115.26 116.11 2djr n ASN 45 Ca 0.01 -0.03 0.41 0.00 -0.53 0.00 0.00 54.58 54.44 2djr n ASN 45 Cb 0.07 0.67 0.65 0.00 -2.08 0.00 0.00 39.78 39.10 2djr n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2djr n VAL 46 N -2.81 -0.10 0.00 3.53 3.14 -1.26 -4.76 118.33 116.07 2djr n VAL 46 Ca -0.33 1.40 0.00 0.00 -2.96 0.00 0.00 64.34 62.45 2djr n VAL 46 Cb 1.08 -2.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2djr n GLY 47 N -1.64 0.85 2.34 7.55 0.00 -1.26 -5.09 105.19 107.94 2djr n GLY 47 Ca 0.37 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 -1.69 2.61 -1.04 -1.26 -4.74 114.28 108.16 2djr n THR 48 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 2djr n THR 48 Cb 0.00 -0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.13 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 4.85 0.27 -0.44 12.58 -1.04 -1.26 -4.79 114.28 124.45 2djr n THR 49 Ca 0.42 -0.05 0.35 0.00 -2.04 0.00 0.00 64.05 62.73 2djr n THR 49 Cb -0.00 -2.02 0.56 0.00 -1.82 0.00 0.00 70.33 67.05 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 5.15 1.21 -0.05 2.41 0.00 -1.26 0.16 120.51 128.13 2djr n ALA 50 Ca 0.18 0.58 -0.08 0.00 0.00 0.00 0.00 53.44 54.12 2djr n ALA 50 Cb 0.35 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.07 -0.06 0.00 3.38 -1.88 -2.78 115.31 113.90 2djr h LEU 51 Ca 0.68 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.74 2djr h LEU 51 Cb 2.46 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 43.24 2djr h LEU 51 CO -0.19 -0.01 -0.23 -0.50 0.09 0.00 0.00 178.44 177.60 2djr h TRP 52 N 0.08 -0.61 -1.00 1.13 4.06 0.12 -1.54 115.95 118.20 2djr h TRP 52 Ca 0.11 0.02 0.37 0.00 2.06 0.00 0.00 58.89 61.46 2djr h TRP 52 Cb 0.13 0.28 -0.18 0.00 -1.00 0.00 0.00 29.16 28.39 2djr h TRP 52 CO -0.18 -0.31 0.37 0.87 -3.56 0.00 0.00 178.44 175.63 2djr h LYS 53 N -0.33 0.00 -0.11 0.49 1.57 -1.50 0.76 116.57 117.45 2djr h LYS 53 Ca 0.08 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2djr h LYS 53 Cb 0.44 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2djr h LYS 53 CO -0.25 0.00 -0.33 1.25 -0.57 0.00 0.00 179.45 179.55 2djr h HIS 54 N 0.00 0.55 -0.54 -1.35 2.76 -1.24 -1.45 115.15 113.88 2djr h HIS 54 Ca 0.77 -0.22 0.04 0.00 -2.20 0.00 0.00 60.37 58.76 2djr h HIS 54 Cb 1.93 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 30.75 2djr h HIS 54 CO -0.17 0.94 0.30 -0.07 -1.30 0.00 0.00 177.93 177.64 2djr h LEU 55 N -0.00 0.47 0.00 0.26 3.38 0.11 -0.25 115.31 119.27 2djr h LEU 55 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2djr h LEU 55 Cb 0.95 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2djr h LEU 55 CO 0.07 0.32 0.00 0.29 0.09 0.00 0.00 178.44 179.21 2djr n LYS 56 N -4.82 0.05 0.10 1.13 5.02 0.71 0.15 118.16 120.50 2djr n LYS 56 Ca 0.05 0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 2djr n LYS 56 Cb 0.11 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.63 0.00 4.39 0.87 0.05 -3.36 113.55 116.14 2djr h SER 57 Ca 0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2djr h SER 57 Cb 0.45 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2djr h SER 57 CO 0.00 1.66 -0.54 1.15 -0.53 0.00 0.00 176.83 178.57 2djr n MET 58 N -3.60 0.80 -0.43 2.24 0.00 -0.62 -4.74 117.12 110.77 2djr n MET 58 Ca -0.19 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.55 2djr n MET 58 Cb 1.08 -0.77 0.21 0.00 0.00 0.00 0.00 33.22 33.73 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 -1.77 1.01 -0.33 3.17 8.25 0.41 -4.40 115.22 121.55 2djr n HIS 59 Ca 0.00 -0.36 0.23 0.00 -0.26 0.00 0.00 57.72 57.33 2djr n HIS 59 Cb 0.27 -0.27 0.51 0.00 1.12 0.00 0.00 29.99 31.62 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 2.10 0.38 0.05 -0.41 1.12 0.44 0.16 114.38 118.23 2djr h ARG 60 Ca 0.00 -0.02 -0.27 0.00 -1.11 0.00 0.00 59.98 58.57 2djr h ARG 60 Cb 1.17 -0.09 0.02 0.00 -0.01 0.00 0.00 29.97 31.06 2djr h ARG 60 CO 0.22 0.25 -1.10 0.93 -3.11 0.00 0.00 179.97 177.16 2djr h GLU 61 N 0.40 0.66 -0.43 0.20 5.08 -1.84 -3.11 114.58 115.54 2djr h GLU 61 Ca 0.60 -0.77 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2djr h GLU 61 Cb 1.52 0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.97 2djr h GLU 61 CO -0.31 1.34 0.20 1.49 -1.00 0.00 0.00 179.01 180.73 2djr h GLU 62 N 0.32 0.40 0.23 2.33 4.81 -1.06 -2.71 114.58 118.90 2djr h GLU 62 Ca -0.15 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 2djr h GLU 62 Cb 1.77 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 2djr h GLU 62 CO 0.21 0.26 -0.16 -0.07 -0.73 0.00 0.00 179.01 178.52 2djr h LEU 63 N 0.41 -0.41 -0.85 1.64 3.38 -1.26 -2.68 115.31 115.54 2djr h LEU 63 Ca 0.19 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.39 2djr h LEU 63 Cb 0.11 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 40.84 2djr h LEU 63 CO -0.14 -0.26 0.01 -0.33 0.09 0.00 0.00 178.44 177.81 2djr h GLU 64 N -0.39 0.08 -0.55 1.13 5.08 -1.43 0.37 114.58 118.87 2djr h GLU 64 Ca -0.02 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2djr h GLU 64 Cb 0.34 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2djr h GLU 64 CO 0.01 0.05 0.28 0.87 -1.00 0.00 0.00 179.01 179.21 2djr h LYS 65 N 0.08 0.51 0.54 2.33 1.57 -1.18 -3.01 116.57 117.41 2djr h LYS 65 Ca 0.48 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.20 2djr h LYS 65 Cb 0.89 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.09 2djr h LYS 65 CO -0.76 0.34 -0.26 0.77 -0.57 0.00 0.00 179.45 178.97 2djr h SER 66 N 0.53 -0.61 0.00 0.86 0.02 -0.14 -3.48 113.55 110.72 2djr h SER 66 Ca 0.25 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2djr h SER 66 Cb 0.17 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2djr h SER 66 CO -0.18 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 175.84 2djr n GLY 67 N -0.75 0.59 2.87 -3.77 0.00 0.15 -5.11 105.19 99.18 2djr n GLY 67 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.77 3.26 0.03 1.61 3.76 -1.21 -4.95 115.29 117.01 2djr s HIS 68 Ca 0.00 -3.20 -0.26 0.00 -0.15 0.00 0.00 55.06 51.45 2djr s HIS 68 Cb 0.00 -2.58 -0.17 0.00 1.11 0.00 0.00 32.58 30.94 2djr s HIS 68 CO 0.00 -0.61 1.39 0.78 -0.85 0.00 0.00 174.74 175.45 2djr h GLY 69 N 5.69 -0.36 0.00 -2.22 0.00 -1.94 -3.43 103.07 100.80 2djr h GLY 69 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2djr h GLY 69 CO 0.68 -0.13 -0.42 -1.06 0.00 0.00 0.00 176.54 175.61 2djr n GLN 70 N -5.13 0.00 -2.98 4.80 3.00 -1.26 -5.06 117.38 110.74 2djr n GLN 70 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 2djr n GLN 70 Cb 0.23 -0.24 0.04 0.00 0.00 0.00 0.00 30.24 30.27 2djr n GLN 70 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2djr n SER 71 N -2.83 -3.68 0.00 1.08 2.88 -1.26 -4.73 113.62 105.08 2djr n SER 71 Ca 0.00 -0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 2djr n SER 71 Cb 0.21 -2.86 0.00 0.00 -0.75 0.00 0.00 64.21 60.81 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 72 N -1.23 0.37 3.72 0.46 0.00 -1.26 -4.64 105.19 102.60 2djr n GLY 72 Ca -0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2djr n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djr s PRO 73 N 0.00 4.34 -0.13 1.61 0.04 -1.26 -4.95 135.00 134.64 2djr s PRO 73 Ca 0.00 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 2djr s PRO 73 Cb 0.00 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 2djr s PRO 73 CO 0.00 -0.40 -0.28 0.43 0.04 0.00 0.00 177.00 176.78 2djr n SER 74 N 3.89 1.77 -4.57 6.66 7.64 -1.26 -4.80 113.62 122.94 2djr n SER 74 Ca 0.11 0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.86 2djr n SER 74 Cb 0.43 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.95 2djr n SER 74 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2djr s SER 75 N -6.01 6.68 0.00 6.43 0.01 -1.26 -5.15 113.70 114.40 2djr s SER 75 Ca -0.24 -2.03 0.00 0.00 1.31 0.00 0.00 55.95 54.99 2djr s SER 75 Cb 0.04 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2djr s SER 75 CO 0.35 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 173.29