#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 -0.42 -0.78 1.61 0.15 -1.26 -5.09 113.70 107.91 2djr s SER 2 Ca 0.00 0.64 -0.26 0.00 0.70 0.00 0.00 55.95 57.04 2djr s SER 2 Cb 0.00 1.28 -0.10 0.00 -1.71 0.00 0.00 66.02 65.49 2djr s SER 2 CO 0.00 -0.10 2.25 -0.94 1.20 0.00 0.00 173.24 175.66 2djr s SER 3 N 1.61 4.36 0.08 5.45 1.04 -1.26 -4.90 113.70 120.07 2djr s SER 3 Ca -0.07 -0.04 -0.31 0.00 0.48 0.00 0.00 55.95 56.02 2djr s SER 3 Cb -0.04 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.45 2djr s SER 3 CO -0.15 -3.40 1.60 -0.83 0.98 0.00 0.00 173.24 171.45 2djr s GLY 4 N 10.08 1.60 0.77 7.32 0.00 -1.26 -4.99 107.32 120.84 2djr s GLY 4 Ca 0.85 1.20 -0.11 0.00 0.00 0.00 0.00 44.72 46.66 2djr s GLY 4 CO 0.08 2.79 1.10 -0.56 0.00 0.00 0.00 173.10 176.51 2djr s SER 5 N 2.10 4.83 0.01 1.64 0.01 -1.26 -5.06 113.70 115.96 2djr s SER 5 Ca 0.72 1.21 -0.02 0.00 1.31 0.00 0.00 55.95 59.17 2djr s SER 5 Cb -0.39 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2djr s SER 5 CO 0.31 -1.75 0.20 -0.44 0.41 0.00 0.00 173.24 171.98 2djr s SER 6 N -4.10 6.38 -0.88 2.44 0.01 -1.26 -5.02 113.70 111.27 2djr s SER 6 Ca 0.60 0.35 -0.03 0.00 1.31 0.00 0.00 55.95 58.18 2djr s SER 6 Cb -0.13 -2.00 0.18 0.00 0.21 0.00 0.00 66.02 64.28 2djr s SER 6 CO 0.53 0.24 2.35 0.61 0.41 0.00 0.00 173.24 177.38 2djr n GLY 7 N 0.82 5.15 1.61 3.44 0.00 -1.26 -4.71 105.19 110.24 2djr n GLY 7 Ca -0.10 -2.18 -0.10 0.00 0.00 0.00 0.00 46.02 43.65 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 0.67 4.93 0.10 1.61 3.41 -1.26 -4.15 113.62 118.92 2djr n SER 8 Ca 0.53 -2.71 -0.20 0.00 -0.26 0.00 0.00 58.87 56.23 2djr n SER 8 Cb 0.35 -0.89 -0.15 0.00 -0.26 0.00 0.00 64.21 63.26 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 0.91 0.36 -0.82 4.33 4.81 -2.01 -3.30 114.58 118.87 2djr h GLU 9 Ca 0.20 -0.62 0.23 0.00 -0.13 0.00 0.00 59.36 59.04 2djr h GLU 9 Cb 1.21 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.79 2djr h GLU 9 CO 0.45 1.27 0.58 0.00 -0.73 0.00 0.00 179.01 180.57 2djr h ALA 10 N 0.35 2.69 -0.60 2.92 0.00 -1.99 0.16 119.26 122.79 2djr h ALA 10 Ca -0.24 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.82 2djr h ALA 10 Cb 2.07 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 2djr h ALA 10 CO 0.21 -0.93 0.46 -1.49 0.00 0.00 0.00 179.25 177.49 2djr h TRP 11 N 0.05 0.00 0.00 0.00 4.06 -1.89 0.24 115.95 118.41 2djr h TRP 11 Ca 0.39 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.34 2djr h TRP 11 Cb 1.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.65 2djr h TRP 11 CO -0.00 0.00 0.09 0.93 -3.56 0.00 0.00 178.44 175.90 2djr h GLU 12 N 0.00 0.00 -0.44 0.49 4.39 -0.91 0.28 114.58 118.39 2djr h GLU 12 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2djr h GLU 12 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2djr h GLU 12 CO -0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 2djr n TYR 13 N -2.86 1.38 -3.72 4.33 4.02 0.83 -4.84 117.16 116.30 2djr n TYR 13 Ca -0.02 -0.75 -0.10 0.00 -0.01 0.00 0.00 57.90 57.01 2djr n TYR 13 Cb 0.15 -0.35 -0.06 0.00 -0.02 0.00 0.00 39.34 39.07 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 -2.50 -0.08 -0.07 -0.72 0.40 1.00 0.23 117.98 116.24 2djr s PHE 14 Ca 0.46 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 2djr s PHE 14 Cb 0.35 0.14 0.04 0.00 0.51 0.00 0.00 43.02 44.06 2djr s PHE 14 CO 0.14 -0.63 0.16 -3.38 0.70 0.00 0.00 175.22 172.22 2djr s HIS 15 N -3.66 -0.19 0.46 0.36 -3.43 0.28 -4.77 115.29 104.35 2djr s HIS 15 Ca 0.03 0.55 -0.24 0.00 -0.80 0.00 0.00 55.06 54.60 2djr s HIS 15 Cb 0.03 -0.10 -0.07 0.00 -1.43 0.00 0.00 32.58 31.00 2djr s HIS 15 CO -0.11 -0.20 1.26 -0.51 -2.00 0.00 0.00 174.74 173.19 2djr s LEU 16 N 1.42 4.04 0.37 5.38 1.43 -1.26 -0.05 118.68 130.02 2djr s LEU 16 Ca -0.07 2.55 -0.02 0.00 -1.03 0.00 0.00 54.13 55.56 2djr s LEU 16 Cb -0.12 -4.13 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2djr s LEU 16 CO -0.06 -1.06 0.62 0.00 0.23 0.00 0.00 176.35 176.07 2djr s ALA 17 N -1.38 3.60 0.42 4.21 0.00 -1.24 -4.88 121.76 122.48 2djr s ALA 17 Ca 0.63 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 2djr s ALA 17 Cb -0.35 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.40 2djr s ALA 17 CO 0.43 -0.06 1.18 -1.25 0.00 0.00 0.00 175.76 176.06 2djr s PRO 18 N -4.28 3.95 0.36 0.00 0.04 -1.26 -4.64 135.00 129.17 2djr s PRO 18 Ca 0.43 1.85 0.08 0.00 0.04 0.00 0.00 61.00 63.39 2djr s PRO 18 Cb -0.10 -2.60 -0.07 0.00 0.04 0.00 0.00 34.50 31.77 2djr s PRO 18 CO 0.37 -0.41 -0.04 0.00 0.04 0.00 0.00 177.00 176.96 2djr s ALA 19 N -1.44 2.91 0.08 8.56 0.00 -1.26 -4.99 121.76 125.63 2djr s ALA 19 Ca 0.59 -2.14 0.02 0.00 0.00 0.00 0.00 51.96 50.43 2djr s ALA 19 Cb -0.31 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2djr s ALA 19 CO 0.38 -0.04 0.15 -0.98 0.00 0.00 0.00 175.76 175.27 2djr s ARG 20 N -3.68 3.13 -0.48 0.00 1.70 -1.26 -4.97 118.95 113.39 2djr s ARG 20 Ca 0.33 -0.60 -0.27 0.00 -0.47 0.00 0.00 55.73 54.72 2djr s ARG 20 Cb 0.06 -2.86 -0.14 0.00 -0.57 0.00 0.00 34.95 31.44 2djr s ARG 20 CO 0.16 0.57 1.64 0.00 -1.08 0.00 0.00 175.30 176.60 2djr n ALA 21 N 0.26 0.17 0.00 7.88 0.00 -1.26 -2.39 120.51 125.17 2djr n ALA 21 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2djr n ALA 21 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 4.96 1.89 3.78 0.00 0.00 -1.26 -5.10 105.19 109.46 2djr n GLY 22 Ca 0.41 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 3.81 0.62 1.61 3.76 -1.01 -5.06 115.29 119.03 2djr s HIS 23 Ca 0.00 1.62 -0.12 0.00 -0.15 0.00 0.00 55.06 56.41 2djr s HIS 23 Cb 0.00 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.88 2djr s HIS 23 CO 0.00 0.41 1.04 -3.38 -0.85 0.00 0.00 174.74 171.96 2djr s HIS 24 N -1.33 3.35 -2.00 1.40 -3.43 -1.26 -4.27 115.29 107.75 2djr s HIS 24 Ca 0.40 1.39 0.10 0.00 -0.80 0.00 0.00 55.06 56.15 2djr s HIS 24 Cb -0.21 -2.82 0.58 0.00 -1.43 0.00 0.00 32.58 28.70 2djr s HIS 24 CO 0.25 -0.86 1.02 -0.35 -2.00 0.00 0.00 174.74 172.79 2djr n PRO 25 N -2.59 0.49 -1.44 -0.38 -0.04 -1.26 -3.54 135.00 126.24 2djr n PRO 25 Ca 0.07 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.22 2djr n PRO 25 Cb 0.54 -1.31 0.04 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.81 7.21 -0.10 3.54 4.13 -1.26 -4.20 115.26 123.76 2djr n ASN 26 Ca 0.07 -3.56 -0.14 0.00 1.68 0.00 0.00 54.58 52.63 2djr n ASN 26 Cb 0.03 -1.07 -0.14 0.00 -1.54 0.00 0.00 39.78 37.07 2djr n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2djr n GLN 27 N -0.25 0.67 -3.63 3.52 0.00 -1.23 -4.69 117.38 111.78 2djr n GLN 27 Ca 0.52 0.10 -0.10 0.00 0.00 0.00 0.00 57.00 57.51 2djr n GLN 27 Cb 0.51 -1.55 -0.04 0.00 0.00 0.00 0.00 30.24 29.15 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2djr s TYR 28 N -2.51 -0.24 -0.05 2.61 1.51 -1.26 -4.68 117.35 112.73 2djr s TYR 28 Ca -0.20 -0.07 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 2djr s TYR 28 Cb 0.07 0.37 -0.01 0.00 -0.11 0.00 0.00 41.96 42.29 2djr s TYR 28 CO 0.73 -0.81 -0.20 0.00 -1.11 0.00 0.00 175.55 174.16 2djr s ALA 29 N -3.82 1.78 -0.38 3.71 0.00 -0.91 -3.70 121.76 118.45 2djr s ALA 29 Ca 0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 2djr s ALA 29 Cb 0.00 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.56 2djr s ALA 29 CO -0.09 0.33 0.24 0.99 0.00 0.00 0.00 175.76 177.24 2djr s THR 30 N -0.04 4.95 0.13 0.00 2.01 0.93 -0.12 115.64 123.50 2djr s THR 30 Ca -0.04 -0.64 -0.32 0.00 0.31 0.00 0.00 61.69 61.00 2djr s THR 30 Cb -0.12 -3.70 -0.11 0.00 0.01 0.00 0.00 72.50 68.57 2djr s THR 30 CO 0.03 -0.20 1.80 0.00 -0.69 0.00 0.00 174.62 175.56 2djr n ARG 32 N 5.27 1.29 -0.12 0.00 1.74 0.14 -1.00 116.66 123.98 2djr n ARG 32 Ca 0.18 -0.42 -0.23 0.00 -0.77 0.00 0.00 57.85 56.60 2djr n ARG 32 Cb 0.36 -1.44 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.45 1.90 -0.01 0.55 4.77 -1.25 -4.81 117.00 117.69 2djr n LEU 33 Ca 0.20 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.56 2djr n LEU 33 Cb 0.20 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 2djr n LEU 33 CO 0.16 0.32 -0.59 0.00 -1.33 0.00 0.00 177.39 175.95 2djr n GLY 35 N 3.17 1.69 3.78 0.00 0.00 -0.17 -5.02 105.19 108.64 2djr n GLY 35 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.31 4.21 -0.13 1.61 1.81 -1.26 -4.64 118.95 120.24 2djr s ARG 36 Ca 0.00 0.62 -0.29 0.00 -1.72 0.00 0.00 55.73 54.33 2djr s ARG 36 Cb 0.00 -3.31 -0.01 0.00 -0.45 0.00 0.00 34.95 31.18 2djr s ARG 36 CO 0.00 0.47 1.05 -0.65 -0.68 0.00 0.00 175.30 175.48 2djr s GLN 37 N -0.46 4.37 -0.23 3.54 -0.21 -1.26 -1.63 119.66 123.79 2djr s GLN 37 Ca 0.28 1.43 0.00 0.00 0.02 0.00 0.00 55.36 57.10 2djr s GLN 37 Cb -0.18 -3.57 0.06 0.00 1.00 0.00 0.00 33.01 30.32 2djr s GLN 37 CO 0.16 -0.42 -0.05 0.08 -2.12 0.00 0.00 175.29 172.94 2djr s VAL 38 N 2.36 1.45 0.09 1.09 1.01 0.83 -4.92 120.40 122.32 2djr s VAL 38 Ca 0.49 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.11 2djr s VAL 38 Cb -0.18 -1.71 -0.07 0.00 0.00 0.00 0.00 36.38 34.41 2djr s VAL 38 CO 0.16 -0.08 0.66 -0.94 0.00 0.00 0.00 175.10 174.90 2djr s SER 39 N 1.44 7.18 -0.13 3.32 1.04 -1.26 -2.13 113.70 123.15 2djr s SER 39 Ca -0.05 1.40 -0.00 0.00 0.48 0.00 0.00 55.95 57.78 2djr s SER 39 Cb -0.18 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 2djr s SER 39 CO -0.06 0.21 -0.12 -2.11 0.98 0.00 0.00 173.24 172.14 2djr n ARG 40 N 1.88 0.31 0.00 4.02 1.85 -1.26 -4.96 116.66 118.50 2djr n ARG 40 Ca -0.08 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2djr n ARG 40 Cb 0.50 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.69 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 2.79 2.56 0.06 2.89 0.00 -1.26 -4.79 105.19 107.43 2djr n GLY 41 Ca -0.23 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 2djr n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djr h PRO 42 N 0.00 -0.02 -3.57 1.61 0.13 -1.97 -3.38 132.00 124.80 2djr h PRO 42 Ca 0.00 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.38 2djr h PRO 42 Cb 0.00 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.83 2djr h PRO 42 CO 0.00 0.46 0.09 0.20 -0.23 0.00 0.00 178.00 178.52 2djr s GLY 43 N -3.17 2.93 -0.31 1.56 0.00 -1.26 -4.98 107.32 102.09 2djr s GLY 43 Ca -0.16 -3.62 0.01 0.00 0.00 0.00 0.00 44.72 40.96 2djr s GLY 43 CO 0.66 1.24 0.06 0.14 0.00 0.00 0.00 173.10 175.20 2djr s VAL 44 N -0.72 1.47 -0.69 1.40 1.01 -1.26 -5.05 120.40 116.56 2djr s VAL 44 Ca 0.24 -1.71 0.04 0.00 0.00 0.00 0.00 61.98 60.55 2djr s VAL 44 Cb -0.11 -2.05 0.17 0.00 0.00 0.00 0.00 36.38 34.39 2djr s VAL 44 CO -0.09 -0.57 0.48 0.54 0.00 0.00 0.00 175.10 175.47 2djr s ASN 45 N 1.33 4.85 0.33 3.32 2.20 -1.26 -5.07 114.94 120.64 2djr s ASN 45 Ca 0.08 -3.71 0.03 0.00 -0.94 0.00 0.00 52.86 48.32 2djr s ASN 45 Cb -0.18 -1.66 -0.05 0.00 -2.00 0.00 0.00 41.25 37.36 2djr s ASN 45 CO -0.16 -0.12 0.10 0.68 -2.94 0.00 0.00 177.10 174.66 2djr s VAL 46 N -1.26 0.79 0.02 3.54 -7.23 -1.26 -5.07 120.40 109.94 2djr s VAL 46 Ca 0.24 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2djr s VAL 46 Cb -0.08 -2.61 -0.31 0.00 0.56 0.00 0.00 36.38 33.93 2djr s VAL 46 CO -0.14 0.00 0.95 1.23 -0.31 0.00 0.00 175.10 176.84 2djr h GLY 47 N 2.11 0.43 -7.33 2.32 0.00 -2.00 -3.42 103.07 95.18 2djr h GLY 47 Ca -0.38 -1.10 -0.75 0.00 0.00 0.00 0.00 47.33 45.10 2djr h GLY 47 CO 0.62 0.96 -0.22 -1.59 0.00 0.00 0.00 176.54 176.32 2djr s THR 48 N -2.62 4.88 0.07 4.70 2.01 -1.26 -4.69 115.64 118.73 2djr s THR 48 Ca -0.09 -1.88 -0.36 0.00 0.31 0.00 0.00 61.69 59.67 2djr s THR 48 Cb 0.06 -4.13 -0.15 0.00 0.01 0.00 0.00 72.50 68.28 2djr s THR 48 CO 0.89 -0.87 1.49 0.41 -0.69 0.00 0.00 174.62 175.85 2djr n THR 49 N 4.77 0.06 -0.46 -0.82 -1.04 -1.26 -4.76 114.28 110.77 2djr n THR 49 Ca -0.05 -0.01 0.37 0.00 -2.04 0.00 0.00 64.05 62.32 2djr n THR 49 Cb 0.41 -1.17 0.60 0.00 -1.82 0.00 0.00 70.33 68.36 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 3.35 1.28 0.15 2.41 0.00 -1.26 0.11 120.51 126.55 2djr n ALA 50 Ca 0.19 0.67 -0.14 0.00 0.00 0.00 0.00 53.44 54.16 2djr n ALA 50 Cb 0.23 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.43 -1.00 0.00 3.38 -1.93 -2.88 115.31 112.46 2djr h LEU 51 Ca 0.75 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.93 2djr h LEU 51 Cb 2.62 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 43.33 2djr h LEU 51 CO -0.27 -0.26 -0.33 -0.50 0.09 0.00 0.00 178.44 177.17 2djr h TRP 52 N -0.40 -0.85 -0.92 1.13 4.06 0.41 0.80 115.95 120.19 2djr h TRP 52 Ca -0.01 0.10 0.25 0.00 2.06 0.00 0.00 58.89 61.29 2djr h TRP 52 Cb 0.35 0.52 -0.14 0.00 -1.00 0.00 0.00 29.16 28.89 2djr h TRP 52 CO -0.11 -0.42 0.36 0.87 -3.56 0.00 0.00 178.44 175.58 2djr h LYS 53 N -0.00 0.28 -0.34 0.49 6.56 -1.56 0.36 116.57 122.35 2djr h LYS 53 Ca 0.40 -0.02 -0.14 0.00 -1.06 0.00 0.00 60.65 59.84 2djr h LYS 53 Cb 0.65 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 2djr h LYS 53 CO -1.01 0.19 -0.33 1.25 -2.06 0.00 0.00 179.45 177.49 2djr h HIS 54 N 0.29 1.00 -0.23 -1.35 2.76 0.55 -0.78 115.15 117.38 2djr h HIS 54 Ca 0.60 -0.30 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 2djr h HIS 54 Cb 1.24 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2djr h HIS 54 CO -0.17 1.09 0.11 -0.07 -1.30 0.00 0.00 177.93 177.59 2djr h LEU 55 N 0.62 0.30 0.00 0.26 3.38 0.54 -1.75 115.31 118.66 2djr h LEU 55 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2djr h LEU 55 Cb 0.91 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2djr h LEU 55 CO 0.08 0.34 0.00 0.29 0.09 0.00 0.00 178.44 179.24 2djr n LYS 56 N -4.84 0.04 0.06 1.13 5.02 0.71 0.19 118.16 120.48 2djr n LYS 56 Ca -0.03 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.11 2djr n LYS 56 Cb 0.10 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.46 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 0.56 0.00 4.39 0.87 -0.38 -3.36 113.55 115.63 2djr h SER 57 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2djr h SER 57 Cb 0.40 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2djr h SER 57 CO 0.00 1.61 -0.78 1.15 -0.53 0.00 0.00 176.83 178.28 2djr n MET 58 N -3.87 1.84 -0.75 2.24 0.00 -0.73 -4.71 117.12 111.14 2djr n MET 58 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.44 2djr n MET 58 Cb 0.96 -0.89 0.21 0.00 0.00 0.00 0.00 33.22 33.49 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 -1.93 1.81 -0.17 3.17 8.25 0.51 -4.47 115.22 122.40 2djr n HIS 59 Ca 0.00 -0.97 0.20 0.00 -0.26 0.00 0.00 57.72 56.69 2djr n HIS 59 Cb 0.39 -0.56 0.57 0.00 1.12 0.00 0.00 29.99 31.51 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 1.77 0.27 0.01 -0.41 2.43 -0.46 -1.03 114.38 116.96 2djr h ARG 60 Ca 0.22 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 2djr h ARG 60 Cb 1.93 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.42 2djr h ARG 60 CO 0.56 0.18 -0.45 0.93 -1.51 0.00 0.00 179.97 179.68 2djr h GLU 61 N 0.28 0.29 -0.11 0.20 5.08 -1.85 -3.12 114.58 115.35 2djr h GLU 61 Ca 0.39 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2djr h GLU 61 Cb 1.12 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 2djr h GLU 61 CO -0.10 1.03 -0.14 0.93 -1.00 0.00 0.00 179.01 179.73 2djr h GLU 62 N -0.30 -0.17 0.14 2.33 3.07 -1.57 -1.40 114.58 116.68 2djr h GLU 62 Ca -0.06 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2djr h GLU 62 Cb 1.19 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.11 2djr h GLU 62 CO 0.09 -0.11 -0.36 -0.07 -1.40 0.00 0.00 179.01 177.15 2djr h LEU 63 N -0.18 -1.06 -0.84 1.33 3.38 -1.35 -2.02 115.31 114.56 2djr h LEU 63 Ca 0.08 0.11 0.21 0.00 0.09 0.00 0.00 57.88 58.37 2djr h LEU 63 Cb 0.30 0.38 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 2djr h LEU 63 CO -0.21 -0.40 0.18 -0.33 0.09 0.00 0.00 178.44 177.76 2djr h GLU 64 N -0.56 0.19 -0.63 1.13 5.08 -1.46 0.23 114.58 118.55 2djr h GLU 64 Ca -0.01 -0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2djr h GLU 64 Cb 0.54 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2djr h GLU 64 CO -0.16 0.12 0.18 -0.22 -1.00 0.00 0.00 179.01 177.93 2djr h LYS 65 N 0.19 0.31 -0.66 2.33 3.64 -0.57 0.32 116.57 122.13 2djr h LYS 65 Ca 0.51 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2djr h LYS 65 Cb 0.99 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2djr h LYS 65 CO -0.65 0.21 0.00 0.43 -2.27 0.00 0.00 179.45 177.17 2djr n SER 66 N -5.08 2.66 -3.13 4.20 7.64 0.69 -4.92 113.62 115.69 2djr n SER 66 Ca 0.10 -2.28 -0.04 0.00 1.01 0.00 0.00 58.87 57.66 2djr n SER 66 Cb 0.33 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.07 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 0.52 -1.23 2.80 0.23 0.00 0.11 -4.99 105.19 102.63 2djr n GLY 67 Ca 0.12 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.06 2.97 0.00 1.61 3.76 -0.81 -4.83 115.29 114.93 2djr s HIS 68 Ca 0.08 -3.07 0.00 0.00 -0.15 0.00 0.00 55.06 51.91 2djr s HIS 68 Cb -0.01 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.33 2djr s HIS 68 CO 0.76 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 2djr n GLY 69 N 2.39 0.00 0.64 -2.22 0.00 -1.26 -4.43 105.19 100.31 2djr n GLY 69 Ca 0.19 0.00 0.44 0.00 0.00 0.00 0.00 46.02 46.64 2djr n GLY 69 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2djr h GLN 70 N 0.00 0.00 -3.03 1.61 1.08 -2.03 -2.41 115.11 110.33 2djr h GLN 70 Ca 0.00 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.53 2djr h GLN 70 Cb 0.42 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2djr h GLN 70 CO 0.00 0.00 3.84 -1.13 -0.95 0.00 0.00 178.83 180.59 2djr n SER 71 N -3.75 8.63 -2.71 1.46 3.41 -1.26 -4.29 113.62 115.11 2djr n SER 71 Ca 0.36 -2.58 -0.07 0.00 -0.26 0.00 0.00 58.87 56.32 2djr n SER 71 Cb 1.78 -1.56 0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2djr n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djr n GLY 72 N 3.59 -0.13 3.57 5.00 0.00 -0.91 -4.98 105.19 111.33 2djr n GLY 72 Ca 0.78 0.30 -0.40 0.00 0.00 0.00 0.00 46.02 46.70 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 0.25 2.90 0.11 1.61 0.04 -1.26 -4.92 135.00 133.73 2djr s PRO 73 Ca 0.23 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 61.89 2djr s PRO 73 Cb 0.28 -4.31 0.08 0.00 0.04 0.00 0.00 34.50 30.59 2djr s PRO 73 CO -0.11 -2.40 0.68 -1.12 0.04 0.00 0.00 177.00 174.09 2djr s SER 74 N 7.22 -0.51 -0.32 6.66 0.01 -1.26 -5.10 113.70 120.39 2djr s SER 74 Ca 0.70 0.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.67 2djr s SER 74 Cb -0.15 0.54 -0.08 0.00 0.21 0.00 0.00 66.02 66.54 2djr s SER 74 CO 0.25 -0.87 2.26 -0.24 0.41 0.00 0.00 173.24 175.05 2djr n SER 75 N -0.34 2.71 0.00 2.44 2.88 -1.26 -5.28 113.62 114.78 2djr n SER 75 Ca -0.15 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2djr n SER 75 Cb 0.64 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42