#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djr n SER 2 N 0.00 5.53 -0.02 1.61 2.88 -1.26 -4.34 113.62 118.03 2djr n SER 2 Ca 0.00 -2.56 -0.11 0.00 -1.33 0.00 0.00 58.87 54.87 2djr n SER 2 Cb 0.00 -1.21 -0.09 0.00 -0.75 0.00 0.00 64.21 62.16 2djr n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2djr h SER 3 N 1.72 -0.06 -6.22 -3.46 0.87 -2.06 -3.49 113.55 100.85 2djr h SER 3 Ca 0.11 -0.58 -0.22 0.00 -1.23 0.00 0.00 61.79 59.87 2djr h SER 3 Cb 1.12 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2djr h SER 3 CO 0.21 0.64 -1.04 0.61 -0.53 0.00 0.00 176.83 176.72 2djr n GLY 4 N 1.05 -0.40 2.82 5.77 0.00 -1.26 -4.97 105.19 108.20 2djr n GLY 4 Ca -0.08 0.88 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.56 4.15 -1.02 1.61 0.01 -1.26 -5.05 113.70 110.59 2djr s SER 5 Ca 0.26 -1.70 -0.06 0.00 1.31 0.00 0.00 55.95 55.76 2djr s SER 5 Cb -0.03 -1.06 0.25 0.00 0.21 0.00 0.00 66.02 65.39 2djr s SER 5 CO 0.66 -0.39 0.97 -0.94 0.41 0.00 0.00 173.24 173.95 2djr s SER 6 N 1.44 6.76 -0.23 2.44 1.04 -1.26 -4.66 113.70 119.22 2djr s SER 6 Ca 0.09 -3.64 0.09 0.00 0.48 0.00 0.00 55.95 52.96 2djr s SER 6 Cb -0.18 -2.08 0.28 0.00 0.10 0.00 0.00 66.02 64.14 2djr s SER 6 CO -0.19 -0.25 1.26 0.61 0.98 0.00 0.00 173.24 175.65 2djr n GLY 7 N 2.56 1.28 0.00 7.32 0.00 -1.26 -4.94 105.19 110.14 2djr n GLY 7 Ca 0.23 -0.12 0.10 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 -1.06 0.87 -0.34 1.61 3.41 -1.26 -4.40 113.62 112.45 2djr n SER 8 Ca -0.16 -0.86 0.27 0.00 -0.26 0.00 0.00 58.87 57.87 2djr n SER 8 Cb 0.78 1.11 0.58 0.00 -0.26 0.00 0.00 64.21 66.42 2djr n SER 8 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2djr h GLU 9 N 0.00 0.26 -0.98 4.33 4.57 -1.98 0.32 114.58 121.10 2djr h GLU 9 Ca 0.00 -0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.40 2djr h GLU 9 Cb 0.52 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.98 2djr h GLU 9 CO 0.00 0.17 0.64 0.00 -1.18 0.00 0.00 179.01 178.64 2djr h ALA 10 N 1.57 2.27 -0.76 2.92 0.00 -1.99 0.24 119.26 123.51 2djr h ALA 10 Ca 0.61 0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.75 2djr h ALA 10 Cb 1.81 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 2djr h ALA 10 CO -0.24 -0.60 0.53 -1.49 0.00 0.00 0.00 179.25 177.44 2djr h TRP 11 N 0.38 0.20 0.00 0.00 4.06 -0.69 0.28 115.95 120.18 2djr h TRP 11 Ca 0.53 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.48 2djr h TRP 11 Cb 1.37 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.47 2djr h TRP 11 CO -0.00 0.06 0.13 0.93 -3.56 0.00 0.00 178.44 176.00 2djr h GLU 12 N 0.16 0.00 -0.34 0.49 4.39 -0.66 0.41 114.58 119.02 2djr h GLU 12 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 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 -0.06 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.45 2djr n TYR 13 N -2.52 1.14 -3.71 4.33 4.02 0.98 -4.83 117.16 116.58 2djr n TYR 13 Ca -0.02 -0.82 -0.13 0.00 -0.01 0.00 0.00 57.90 56.92 2djr n TYR 13 Cb 0.18 -0.33 -0.07 0.00 -0.02 0.00 0.00 39.34 39.09 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 -2.68 -0.24 -0.03 -0.72 0.40 0.14 0.10 117.98 114.95 2djr s PHE 14 Ca 0.44 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 2djr s PHE 14 Cb 0.34 0.16 0.03 0.00 0.51 0.00 0.00 43.02 44.06 2djr s PHE 14 CO 0.11 -0.48 0.00 -3.38 0.70 0.00 0.00 175.22 172.17 2djr s HIS 15 N -1.87 0.33 0.38 0.36 -3.43 0.22 -4.80 115.29 106.49 2djr s HIS 15 Ca -0.09 -0.01 -0.27 0.00 -0.80 0.00 0.00 55.06 53.89 2djr s HIS 15 Cb -0.03 -0.43 -0.10 0.00 -1.43 0.00 0.00 32.58 30.59 2djr s HIS 15 CO 0.02 -0.14 1.35 -0.51 -2.00 0.00 0.00 174.74 173.45 2djr s LEU 16 N 1.07 4.31 0.06 5.38 1.43 -1.26 -0.16 118.68 129.50 2djr s LEU 16 Ca -0.09 2.76 -0.09 0.00 -1.03 0.00 0.00 54.13 55.68 2djr s LEU 16 Cb -0.13 -3.77 -0.06 0.00 0.03 0.00 0.00 46.19 42.26 2djr s LEU 16 CO -0.02 -0.76 0.37 0.00 0.23 0.00 0.00 176.35 176.17 2djr s ALA 17 N -1.19 3.75 0.67 4.21 0.00 -1.18 -4.88 121.76 123.14 2djr s ALA 17 Ca 0.53 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.93 2djr s ALA 17 Cb -0.41 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.49 2djr s ALA 17 CO 0.54 0.58 1.11 -1.25 0.00 0.00 0.00 175.76 176.74 2djr s PRO 18 N -1.86 2.73 -0.71 0.00 0.04 -1.26 -3.12 135.00 130.82 2djr s PRO 18 Ca 0.32 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 2djr s PRO 18 Cb -0.14 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2djr s PRO 18 CO 0.18 -1.30 1.80 0.00 0.04 0.00 0.00 177.00 177.71 2djr s ALA 19 N -2.42 2.15 -0.11 8.56 0.00 -1.26 -4.71 121.76 123.97 2djr s ALA 19 Ca 0.66 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 2djr s ALA 19 Cb -0.20 -4.37 -0.05 0.00 0.00 0.00 0.00 23.12 18.50 2djr s ALA 19 CO 0.43 -4.02 -0.17 0.54 0.00 0.00 0.00 175.76 172.54 2djr n ARG 20 N 9.13 0.28 -0.07 0.00 1.74 -1.26 -4.73 116.66 121.74 2djr n ARG 20 Ca 0.23 0.12 -0.10 0.00 -0.77 0.00 0.00 57.85 57.34 2djr n ARG 20 Cb 0.51 -0.97 -0.04 0.00 -1.02 0.00 0.00 32.46 30.94 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr h ALA 21 N -0.48 -0.35 0.00 7.54 0.00 -1.99 -3.46 119.26 120.52 2djr h ALA 21 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2djr h ALA 21 Cb 1.13 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2djr h ALA 21 CO -0.17 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.69 2djr n GLY 22 N -1.42 0.68 3.82 0.00 0.00 -1.26 -5.15 105.19 101.87 2djr n GLY 22 Ca -0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2djr n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2djr s HIS 23 N 0.00 3.27 0.69 1.61 3.76 -1.26 -4.98 115.29 118.38 2djr s HIS 23 Ca 0.00 1.52 -0.15 0.00 -0.15 0.00 0.00 55.06 56.27 2djr s HIS 23 Cb 0.00 -2.88 -0.13 0.00 1.11 0.00 0.00 32.58 30.68 2djr s HIS 23 CO 0.00 -0.53 -0.45 -2.39 -0.85 0.00 0.00 174.74 170.52 2djr n HIS 24 N -1.42 -3.71 -1.17 1.40 -0.00 -1.26 -4.69 115.22 104.37 2djr n HIS 24 Ca 0.07 0.16 -0.29 0.00 -0.00 0.00 0.00 57.72 57.67 2djr n HIS 24 Cb 0.54 -1.36 0.18 0.00 -0.00 0.00 0.00 29.99 29.34 2djr n HIS 24 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2djr s PRO 25 N -1.37 0.39 -0.45 -1.40 0.04 -1.26 -4.22 135.00 126.72 2djr s PRO 25 Ca 0.42 0.51 -0.01 0.00 0.04 0.00 0.00 61.00 61.96 2djr s PRO 25 Cb -0.28 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2djr s PRO 25 CO 0.67 -2.76 0.10 -1.71 0.04 0.00 0.00 177.00 173.34 2djr n ASN 26 N -4.19 -2.60 0.00 6.66 2.85 -1.18 -4.97 115.26 111.83 2djr n ASN 26 Ca 0.05 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2djr n ASN 26 Cb 0.57 -1.72 0.00 0.00 1.24 0.00 0.00 39.78 39.88 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 -1.60 0.00 -4.49 1.20 7.27 -1.26 -4.91 117.38 113.59 2djr n GLN 27 Ca -0.05 0.40 -0.24 0.00 0.07 0.00 0.00 57.00 57.18 2djr n GLN 27 Cb 0.54 -1.28 -0.10 0.00 2.41 0.00 0.00 30.24 31.81 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 -2.15 2.31 -0.20 3.69 1.51 -1.26 -4.68 117.35 116.56 2djr s TYR 28 Ca 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.58 2djr s TYR 28 Cb 0.00 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.69 2djr s TYR 28 CO 0.00 0.66 0.11 0.00 -1.11 0.00 0.00 175.55 175.21 2djr s ALA 29 N -2.56 3.54 -0.41 3.71 0.00 0.17 -3.13 121.76 123.08 2djr s ALA 29 Ca 0.31 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 2djr s ALA 29 Cb -0.02 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 21.02 2djr s ALA 29 CO 0.15 0.07 0.50 0.99 0.00 0.00 0.00 175.76 177.48 2djr s THR 30 N 0.55 5.01 0.20 0.00 2.01 0.77 -0.31 115.64 123.86 2djr s THR 30 Ca 0.06 -0.12 -0.33 0.00 0.31 0.00 0.00 61.69 61.61 2djr s THR 30 Cb -0.12 -4.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.19 2djr s THR 30 CO 0.00 -0.44 1.64 0.00 -0.69 0.00 0.00 174.62 175.14 2djr n ARG 32 N 3.53 1.62 -0.10 0.00 1.74 0.12 -1.51 116.66 122.06 2djr n ARG 32 Ca 0.16 -0.91 -0.24 0.00 -0.77 0.00 0.00 57.85 56.09 2djr n ARG 32 Cb 0.33 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.11 2.15 0.00 0.55 4.77 -1.25 -4.81 117.00 118.51 2djr n LEU 33 Ca 0.19 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2djr n LEU 33 Cb 0.33 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2djr n LEU 33 CO 0.16 0.54 -0.45 0.00 -1.33 0.00 0.00 177.39 176.31 2djr n GLY 35 N 3.16 1.86 3.79 0.00 0.00 -0.57 -5.03 105.19 108.41 2djr n GLY 35 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.50 4.29 -0.30 1.61 1.81 -1.26 -4.67 118.95 119.93 2djr s ARG 36 Ca 0.00 0.81 -0.29 0.00 -1.72 0.00 0.00 55.73 54.53 2djr s ARG 36 Cb 0.00 -3.27 0.01 0.00 -0.45 0.00 0.00 34.95 31.24 2djr s ARG 36 CO 0.00 0.55 1.14 -0.65 -0.68 0.00 0.00 175.30 175.66 2djr s GLN 37 N -0.85 4.06 -0.08 3.54 -1.52 -1.26 -1.94 119.66 121.61 2djr s GLN 37 Ca 0.31 1.18 0.01 0.00 -1.95 0.00 0.00 55.36 54.91 2djr s GLN 37 Cb -0.20 -3.77 0.02 0.00 -0.22 0.00 0.00 33.01 28.85 2djr s GLN 37 CO 0.20 -0.92 -0.07 0.08 -0.25 0.00 0.00 175.29 174.32 2djr s VAL 38 N 3.78 0.88 0.43 1.09 1.01 0.58 -4.93 120.40 123.24 2djr s VAL 38 Ca 0.49 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2djr s VAL 38 Cb -0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 2djr s VAL 38 CO 0.16 0.32 0.63 -0.94 0.00 0.00 0.00 175.10 175.27 2djr s SER 39 N 1.25 5.82 0.00 3.32 1.04 -1.26 0.46 113.70 124.34 2djr s SER 39 Ca -0.04 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.53 2djr s SER 39 Cb -0.14 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2djr s SER 39 CO -0.02 -0.67 0.00 -2.11 0.98 0.00 0.00 173.24 171.42 2djr n ARG 40 N -1.99 0.00 0.00 4.02 1.85 -1.26 -4.82 116.66 114.46 2djr n ARG 40 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2djr n ARG 40 Cb 0.58 -0.55 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 2djr n ARG 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2djr n GLY 41 N 2.91 -1.23 3.58 2.89 0.00 -1.26 -4.86 105.19 107.21 2djr n GLY 41 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -1.45 -0.85 1.61 0.04 -1.26 -4.41 135.00 128.67 2djr s PRO 42 Ca 0.00 -0.15 -0.02 0.00 0.04 0.00 0.00 61.00 60.87 2djr s PRO 42 Cb 0.00 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.97 2djr s PRO 42 CO 0.00 -3.85 0.61 0.41 0.04 0.00 0.00 177.00 174.21 2djr n GLY 43 N -0.95 -1.29 3.31 0.56 0.00 -1.26 -4.97 105.19 100.59 2djr n GLY 43 Ca 0.14 0.59 -0.16 0.00 0.00 0.00 0.00 46.02 46.59 2djr n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djr s VAL 44 N -3.02 1.02 -0.51 1.61 0.11 -1.26 -4.85 120.40 113.49 2djr s VAL 44 Ca 0.03 -2.03 -0.03 0.00 -2.93 0.00 0.00 61.98 57.02 2djr s VAL 44 Cb -0.02 -2.26 0.00 0.00 -1.53 0.00 0.00 36.38 32.58 2djr s VAL 44 CO 0.90 -0.39 0.44 -3.20 -3.33 0.00 0.00 175.10 169.52 2djr n ASN 45 N -0.37 -3.63 -0.10 3.54 2.85 -1.26 -4.96 115.26 111.33 2djr n ASN 45 Ca -0.06 -0.20 -0.15 0.00 -0.11 0.00 0.00 54.58 54.07 2djr n ASN 45 Cb 0.63 -2.19 -0.09 0.00 1.24 0.00 0.00 39.78 39.37 2djr n ASN 45 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 2djr n VAL 46 N -3.45 1.13 0.00 3.44 0.31 -1.26 -4.87 118.33 113.63 2djr n VAL 46 Ca 0.00 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2djr n VAL 46 Cb 0.52 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2djr n GLY 47 N 2.47 -0.58 3.02 2.92 0.00 -1.26 -4.98 105.19 106.77 2djr n GLY 47 Ca -0.36 0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.40 3.42 -0.08 2.61 2.01 -1.26 -4.80 115.64 117.14 2djr s THR 48 Ca 0.00 -3.55 -0.37 0.00 0.31 0.00 0.00 61.69 58.09 2djr s THR 48 Cb 0.00 -3.23 -0.18 0.00 0.01 0.00 0.00 72.50 69.10 2djr s THR 48 CO 0.00 -0.94 1.04 0.41 -0.69 0.00 0.00 174.62 174.44 2djr n THR 49 N 2.80 0.00 -0.48 -0.82 -1.04 -1.26 -4.67 114.28 108.81 2djr n THR 49 Ca 0.13 0.00 0.38 0.00 -2.04 0.00 0.00 64.05 62.52 2djr n THR 49 Cb 0.36 -0.08 0.61 0.00 -1.82 0.00 0.00 70.33 69.40 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 1.73 1.32 0.00 2.41 0.00 -1.26 0.13 120.51 124.85 2djr n ALA 50 Ca 0.20 0.65 -0.10 0.00 0.00 0.00 0.00 53.44 54.18 2djr n ALA 50 Cb 0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.48 0.00 3.38 -1.88 -2.77 115.31 113.40 2djr h LEU 51 Ca 0.75 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.86 2djr h LEU 51 Cb 2.69 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 43.43 2djr h LEU 51 CO -0.23 -0.07 -0.24 -0.50 0.09 0.00 0.00 178.44 177.49 2djr h TRP 52 N -0.04 -0.61 -0.96 1.13 4.06 0.78 0.70 115.95 121.01 2djr h TRP 52 Ca 0.06 0.05 0.31 0.00 2.06 0.00 0.00 58.89 61.37 2djr h TRP 52 Cb 0.13 0.34 -0.16 0.00 -1.00 0.00 0.00 29.16 28.47 2djr h TRP 52 CO -0.17 -0.32 0.38 0.87 -3.56 0.00 0.00 178.44 175.65 2djr h LYS 53 N -0.13 0.18 -0.07 0.49 6.56 -1.52 0.35 116.57 122.42 2djr h LYS 53 Ca 0.22 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.76 2djr h LYS 53 Cb 0.48 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2djr h LYS 53 CO -0.57 0.12 -0.11 1.25 -2.06 0.00 0.00 179.45 178.09 2djr h HIS 54 N 0.18 0.24 -0.59 -1.35 2.76 -0.88 -1.06 115.15 114.46 2djr h HIS 54 Ca 0.68 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.83 2djr h HIS 54 Cb 1.55 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 30.41 2djr h HIS 54 CO -0.16 0.68 0.30 -0.07 -1.30 0.00 0.00 177.93 177.39 2djr h LEU 55 N -0.28 0.42 0.00 0.26 3.38 0.32 0.60 115.31 120.02 2djr h LEU 55 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2djr h LEU 55 Cb 0.66 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2djr h LEU 55 CO 0.02 0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.12 2djr n LYS 56 N -4.86 0.08 0.08 1.13 5.02 0.89 0.18 118.16 120.68 2djr n LYS 56 Ca 0.07 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.18 2djr n LYS 56 Cb 0.17 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.54 0.00 4.39 0.87 0.45 -3.36 113.55 116.43 2djr h SER 57 Ca 0.00 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.82 2djr h SER 57 Cb 0.43 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2djr h SER 57 CO 0.00 1.61 -0.56 1.15 -0.53 0.00 0.00 176.83 178.50 2djr n MET 58 N -3.54 1.12 -0.70 2.24 0.00 -0.54 -4.75 117.12 110.95 2djr n MET 58 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.45 2djr n MET 58 Cb 1.06 -0.78 0.19 0.00 0.00 0.00 0.00 33.22 33.70 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 -1.70 1.70 -0.18 3.17 8.25 0.48 -4.44 115.22 122.50 2djr n HIS 59 Ca 0.00 -0.93 0.13 0.00 -0.26 0.00 0.00 57.72 56.66 2djr n HIS 59 Cb 0.28 -0.54 0.46 0.00 1.12 0.00 0.00 29.99 31.31 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 1.65 0.49 -0.10 -0.41 2.43 -0.46 -0.73 114.38 117.26 2djr h ARG 60 Ca 0.21 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.12 2djr h ARG 60 Cb 1.86 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.31 2djr h ARG 60 CO 0.53 0.33 -0.85 0.93 -1.51 0.00 0.00 179.97 179.39 2djr h GLU 61 N 0.51 0.74 -0.47 0.20 5.08 -1.85 -2.69 114.58 116.09 2djr h GLU 61 Ca 0.37 -0.65 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2djr h GLU 61 Cb 0.72 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 2djr h GLU 61 CO -0.13 1.25 0.25 1.49 -1.00 0.00 0.00 179.01 180.88 2djr h GLU 62 N 0.48 0.65 0.70 2.33 4.57 -1.51 -0.12 114.58 121.69 2djr h GLU 62 Ca -0.07 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 2djr h GLU 62 Cb 1.49 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 29.96 2djr h GLU 62 CO 0.17 0.52 -0.34 -0.07 -1.18 0.00 0.00 179.01 178.11 2djr h LEU 63 N 0.62 -0.80 -0.81 1.64 3.38 -1.29 -2.59 115.31 115.46 2djr h LEU 63 Ca 0.16 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.26 2djr h LEU 63 Cb 0.06 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2djr h LEU 63 CO -0.03 -0.48 0.41 -0.33 0.09 0.00 0.00 178.44 178.10 2djr h GLU 64 N -1.09 0.59 -0.16 1.13 5.08 -1.46 -2.01 114.58 116.66 2djr h GLU 64 Ca -0.10 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 2djr h GLU 64 Cb 0.75 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 2djr h GLU 64 CO 0.16 0.39 -0.23 0.87 -1.00 0.00 0.00 179.01 179.20 2djr h LYS 65 N 0.61 -0.27 -7.31 2.33 1.79 -0.92 -3.43 116.57 109.37 2djr h LYS 65 Ca 0.43 0.02 -0.51 0.00 -2.18 0.00 0.00 60.65 58.41 2djr h LYS 65 Cb 0.57 0.06 0.09 0.00 -1.58 0.00 0.00 32.23 31.37 2djr h LYS 65 CO -0.34 -0.18 0.37 -1.12 -1.08 0.00 0.00 179.45 177.10 2djr s SER 66 N -5.00 5.46 0.25 0.86 0.01 -0.76 -4.89 113.70 109.64 2djr s SER 66 Ca -0.15 1.64 0.09 0.00 1.31 0.00 0.00 55.95 58.85 2djr s SER 66 Cb 0.11 -2.50 0.80 0.00 0.21 0.00 0.00 66.02 64.64 2djr s SER 66 CO 0.67 -1.39 1.14 0.61 0.41 0.00 0.00 173.24 174.69 2djr n GLY 67 N -1.84 -0.73 3.54 3.44 0.00 -1.26 -4.08 105.19 104.24 2djr n GLY 67 Ca 0.08 0.64 -0.38 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.79 1.28 -5.23 1.61 8.25 -1.26 -4.91 115.22 110.17 2djr n HIS 68 Ca 0.23 0.17 -0.32 0.00 -0.26 0.00 0.00 57.72 57.54 2djr n HIS 68 Cb 0.77 -2.59 -0.17 0.00 1.12 0.00 0.00 29.99 29.13 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 11.19 1.32 -1.36 -1.41 0.00 -1.26 -3.43 107.32 112.38 2djr s GLY 69 Ca 1.07 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 44.66 2djr s GLY 69 CO 0.32 -0.39 0.36 0.61 0.00 0.00 0.00 173.10 174.00 2djr n GLN 70 N 3.42 -0.82 -1.52 2.90 10.64 -1.26 -4.57 117.38 126.17 2djr n GLN 70 Ca -0.19 0.10 -0.33 0.00 -1.83 0.00 0.00 57.00 54.75 2djr n GLN 70 Cb 0.53 -3.35 -0.13 0.00 -0.86 0.00 0.00 30.24 26.43 2djr n GLN 70 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2djr n SER 71 N -1.72 0.60 0.00 2.61 7.64 -1.26 -4.47 113.62 117.01 2djr n SER 71 Ca 0.02 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2djr n SER 71 Cb 0.37 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 6.21 -0.36 3.74 0.23 0.00 -1.26 -5.09 105.19 108.66 2djr n GLY 72 Ca 0.57 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 4.39 0.18 1.61 0.04 -1.26 -5.02 135.00 132.94 2djr s PRO 73 Ca 0.00 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 2djr s PRO 73 Cb 0.00 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.26 2djr s PRO 73 CO 0.00 -0.25 0.69 -1.54 0.04 0.00 0.00 177.00 175.94 2djr s SER 74 N 0.37 7.10 -0.23 6.66 1.04 -1.26 -5.03 113.70 122.34 2djr s SER 74 Ca 0.57 1.40 -0.27 0.00 0.48 0.00 0.00 55.95 58.13 2djr s SER 74 Cb -0.36 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2djr s SER 74 CO 0.38 0.11 0.96 -0.55 0.98 0.00 0.00 173.24 175.12 2djr s SER 75 N -1.47 7.00 0.00 7.02 0.15 -1.26 -5.29 113.70 119.85 2djr s SER 75 Ca 0.39 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.29 2djr s SER 75 Cb -0.18 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2djr s SER 75 CO 0.21 -0.61 0.08 0.61 1.20 0.00 0.00 173.24 174.73