#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 5.72 -0.24 1.61 0.01 -1.26 -4.93 113.70 114.61 2djr s SER 2 Ca 0.00 -1.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.03 2djr s SER 2 Cb 0.00 -2.02 -0.16 0.00 0.21 0.00 0.00 66.02 64.05 2djr s SER 2 CO 0.00 -0.42 -0.10 -0.24 0.41 0.00 0.00 173.24 172.88 2djr n SER 3 N 4.98 1.96 -0.04 2.44 2.88 -1.26 -5.10 113.62 119.48 2djr n SER 3 Ca -0.12 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2djr n SER 3 Cb 0.45 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 1.56 -1.73 3.77 0.46 0.00 -1.26 -4.87 105.19 103.12 2djr n GLY 4 Ca -0.45 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 -4.00 5.79 0.17 1.61 0.01 -1.26 -5.05 113.70 110.97 2djr s SER 5 Ca 0.00 2.24 -0.04 0.00 1.31 0.00 0.00 55.95 59.46 2djr s SER 5 Cb 0.00 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 2djr s SER 5 CO 0.00 -1.17 0.18 -0.44 0.41 0.00 0.00 173.24 172.22 2djr s SER 6 N -1.63 0.15 -0.40 2.44 0.01 -1.26 -4.98 113.70 108.02 2djr s SER 6 Ca 0.71 -1.13 0.03 0.00 1.31 0.00 0.00 55.95 56.87 2djr s SER 6 Cb -0.26 0.39 0.16 0.00 0.21 0.00 0.00 66.02 66.52 2djr s SER 6 CO 0.30 -0.85 0.38 -0.83 0.41 0.00 0.00 173.24 172.65 2djr s GLY 7 N -3.05 0.49 -0.20 3.44 0.00 -1.26 -4.96 107.32 101.77 2djr s GLY 7 Ca 0.26 -1.69 0.08 0.00 0.00 0.00 0.00 44.72 43.37 2djr s GLY 7 CO 0.05 2.48 1.45 -1.14 0.00 0.00 0.00 173.10 175.94 2djr n SER 8 N 3.44 4.17 -0.01 1.64 3.41 -1.26 -4.29 113.62 120.72 2djr n SER 8 Ca 0.20 -2.77 -0.08 0.00 -0.26 0.00 0.00 58.87 55.96 2djr n SER 8 Cb 0.46 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 63.84 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 2.33 0.59 -1.03 4.33 4.57 -2.03 -3.04 114.58 120.30 2djr h GLU 9 Ca 0.11 -0.32 0.26 0.00 -1.18 0.00 0.00 59.36 58.23 2djr h GLU 9 Cb 1.74 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 30.25 2djr h GLU 9 CO 0.45 0.91 0.66 0.00 -1.18 0.00 0.00 179.01 179.86 2djr h ALA 10 N 1.04 2.22 -0.55 2.92 0.00 -1.99 0.42 119.26 123.31 2djr h ALA 10 Ca 0.03 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.16 2djr h ALA 10 Cb 0.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2djr h ALA 10 CO 0.09 -0.61 0.42 -1.49 0.00 0.00 0.00 179.25 177.66 2djr h TRP 11 N 0.41 0.00 0.00 0.00 -0.00 -1.86 0.28 115.95 114.78 2djr h TRP 11 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.47 2djr h TRP 11 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.62 2djr h TRP 11 CO -0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.44 178.83 2djr n GLU 12 N -4.24 0.01 -0.16 0.49 1.02 0.15 -0.60 120.64 117.30 2djr n GLU 12 Ca 0.10 0.39 0.09 0.00 -0.02 0.00 0.00 57.16 57.72 2djr n GLU 12 Cb 0.65 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.73 2djr n GLU 12 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2djr n TYR 13 N -1.43 0.26 -3.69 -0.32 4.02 1.00 -4.90 117.16 112.09 2djr n TYR 13 Ca 0.01 -0.91 -0.12 0.00 -0.01 0.00 0.00 57.90 56.87 2djr n TYR 13 Cb 0.03 -0.18 -0.06 0.00 -0.02 0.00 0.00 39.34 39.11 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 -2.65 -0.20 -0.06 -0.72 0.40 0.23 0.21 117.98 115.19 2djr s PHE 14 Ca 0.32 0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.70 2djr s PHE 14 Cb 0.27 0.19 0.04 0.00 0.51 0.00 0.00 43.02 44.02 2djr s PHE 14 CO 0.05 -0.58 0.11 -3.38 0.70 0.00 0.00 175.22 172.12 2djr s HIS 15 N -2.78 -0.10 0.38 0.36 -3.43 0.19 -4.80 115.29 105.11 2djr s HIS 15 Ca -0.03 0.40 -0.27 0.00 -0.80 0.00 0.00 55.06 54.36 2djr s HIS 15 Cb -0.00 -0.20 -0.09 0.00 -1.43 0.00 0.00 32.58 30.86 2djr s HIS 15 CO -0.05 -0.17 1.32 -0.51 -2.00 0.00 0.00 174.74 173.33 2djr s LEU 16 N 1.47 4.29 0.06 5.38 1.43 -1.26 -0.04 118.68 130.01 2djr s LEU 16 Ca -0.05 2.70 -0.13 0.00 -1.03 0.00 0.00 54.13 55.62 2djr s LEU 16 Cb -0.12 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2djr s LEU 16 CO -0.05 -0.75 0.45 0.00 0.23 0.00 0.00 176.35 176.23 2djr s ALA 17 N -1.21 3.67 0.47 4.21 0.00 -1.19 -4.89 121.76 122.82 2djr s ALA 17 Ca 0.54 -0.24 -0.23 0.00 0.00 0.00 0.00 51.96 52.04 2djr s ALA 17 Cb -0.39 -2.39 -0.07 0.00 0.00 0.00 0.00 23.12 20.26 2djr s ALA 17 CO 0.52 0.50 1.16 -1.25 0.00 0.00 0.00 175.76 176.69 2djr s PRO 18 N -1.56 3.72 0.23 0.00 0.04 -1.26 -4.52 135.00 131.64 2djr s PRO 18 Ca 0.30 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2djr s PRO 18 Cb -0.16 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2djr s PRO 18 CO 0.17 -0.58 0.05 0.00 0.04 0.00 0.00 177.00 176.67 2djr s ALA 19 N -1.57 3.29 -0.11 8.56 0.00 -1.26 -5.01 121.76 125.66 2djr s ALA 19 Ca 0.64 -1.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 2djr s ALA 19 Cb -0.28 -0.99 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 2djr s ALA 19 CO 0.34 0.35 -0.12 2.89 0.00 0.00 0.00 175.76 179.22 2djr n ARG 20 N -0.67 0.24 -1.97 0.00 1.85 -1.26 -4.90 116.66 109.95 2djr n ARG 20 Ca -0.08 0.08 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 2djr n ARG 20 Cb 0.57 -1.05 0.16 0.00 -1.05 0.00 0.00 32.46 31.09 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 -2.20 2.42 0.42 2.89 0.00 -1.26 -4.91 121.76 119.12 2djr s ALA 21 Ca -0.15 -1.13 0.26 0.00 0.00 0.00 0.00 51.96 50.95 2djr s ALA 21 Cb 0.05 -2.76 1.36 0.00 0.00 0.00 0.00 23.12 21.76 2djr s ALA 21 CO 0.22 -2.21 1.63 0.78 0.00 0.00 0.00 175.76 176.17 2djr h GLY 22 N -1.44 1.50 -6.54 0.00 0.00 -2.07 -3.41 103.07 91.12 2djr h GLY 22 Ca -0.44 -0.14 -0.79 0.00 0.00 0.00 0.00 47.33 45.96 2djr h GLY 22 CO 0.44 -0.44 0.75 1.42 0.00 0.00 0.00 176.54 178.71 2djr n HIS 23 N -4.80 1.84 -1.01 5.60 -0.00 -1.26 -4.84 115.22 110.75 2djr n HIS 23 Ca 0.36 0.81 -0.35 0.00 -0.00 0.00 0.00 57.72 58.54 2djr n HIS 23 Cb 1.33 -2.34 0.08 0.00 -0.00 0.00 0.00 29.99 29.05 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 4.49 -2.26 0.98 4.41 -0.00 -1.26 -4.63 115.22 116.95 2djr n HIS 24 Ca 0.28 0.22 0.05 0.00 -0.00 0.00 0.00 57.72 58.27 2djr n HIS 24 Cb 0.05 -1.73 0.32 0.00 -0.00 0.00 0.00 29.99 28.64 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 -0.21 0.49 -3.57 -1.40 -0.04 -1.26 -4.13 135.00 124.88 2djr n PRO 25 Ca 0.06 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.15 2djr n PRO 25 Cb 0.53 -1.35 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.85 4.43 0.00 3.54 4.13 -1.26 -4.32 115.26 120.93 2djr n ASN 26 Ca 0.08 -3.15 0.00 0.00 1.68 0.00 0.00 54.58 53.19 2djr n ASN 26 Cb 0.04 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 2djr n ASN 26 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2djr n GLN 27 N 2.22 0.00 -4.56 3.52 7.27 -1.26 -5.09 117.38 119.48 2djr n GLN 27 Ca 0.23 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 57.04 2djr n GLN 27 Cb 0.37 -0.31 -0.11 0.00 2.41 0.00 0.00 30.24 32.60 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 -0.83 2.36 -0.19 3.69 1.51 -1.26 -4.57 117.35 118.06 2djr s TYR 28 Ca 0.00 -0.68 -0.02 0.00 -1.01 0.00 0.00 57.07 55.37 2djr s TYR 28 Cb 0.00 -1.56 -0.00 0.00 -0.11 0.00 0.00 41.96 40.29 2djr s TYR 28 CO 0.00 0.40 -0.11 0.00 -1.11 0.00 0.00 175.55 174.73 2djr s ALA 29 N -2.80 2.63 -0.42 3.71 0.00 -0.33 -3.20 121.76 121.35 2djr s ALA 29 Ca 0.34 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 2djr s ALA 29 Cb 0.08 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.78 2djr s ALA 29 CO 0.17 -0.24 0.79 0.99 0.00 0.00 0.00 175.76 177.46 2djr s THR 30 N 1.15 4.67 0.03 0.00 2.01 0.94 -0.29 115.64 124.16 2djr s THR 30 Ca 0.01 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 2djr s THR 30 Cb -0.14 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.00 2djr s THR 30 CO -0.04 -0.62 1.90 0.00 -0.69 0.00 0.00 174.62 175.17 2djr n ARG 32 N 7.30 1.16 -0.11 0.00 1.74 0.13 -0.48 116.66 126.39 2djr n ARG 32 Ca 0.19 -0.26 -0.25 0.00 -0.77 0.00 0.00 57.85 56.77 2djr n ARG 32 Cb 0.41 -1.49 -0.11 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 -0.70 1.95 -0.05 0.55 4.77 -1.25 -4.77 117.00 117.51 2djr n LEU 33 Ca 0.22 0.37 -0.06 0.00 -0.03 0.00 0.00 56.01 56.52 2djr n LEU 33 Cb 0.18 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.30 2djr n LEU 33 CO 0.18 0.42 -0.80 0.00 -1.33 0.00 0.00 177.39 175.85 2djr n GLY 35 N 2.93 1.74 3.87 0.00 0.00 0.37 -5.04 105.19 109.06 2djr n GLY 35 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.41 3.35 -0.11 1.61 0.52 -1.25 -4.73 118.95 117.93 2djr s ARG 36 Ca 0.00 -0.35 -0.23 0.00 -0.52 0.00 0.00 55.73 54.63 2djr s ARG 36 Cb 0.00 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 2djr s ARG 36 CO 0.00 0.68 0.70 -0.65 0.02 0.00 0.00 175.30 176.04 2djr s GLN 37 N -1.82 4.37 -0.08 3.54 -0.21 -1.26 -0.52 119.66 123.69 2djr s GLN 37 Ca 0.25 0.83 -0.00 0.00 0.02 0.00 0.00 55.36 56.46 2djr s GLN 37 Cb -0.12 -3.49 0.02 0.00 1.00 0.00 0.00 33.01 30.42 2djr s GLN 37 CO 0.16 -0.04 -0.04 0.08 -2.12 0.00 0.00 175.29 173.33 2djr s VAL 38 N 1.19 0.63 0.51 1.09 1.01 0.60 -4.91 120.40 120.53 2djr s VAL 38 Ca 0.35 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2djr s VAL 38 Cb -0.17 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 2djr s VAL 38 CO 0.15 0.29 0.99 -0.94 0.00 0.00 0.00 175.10 175.59 2djr s SER 39 N 1.57 6.58 -0.05 3.32 1.04 -1.26 -1.18 113.70 123.71 2djr s SER 39 Ca -0.00 1.62 -0.10 0.00 0.48 0.00 0.00 55.95 57.95 2djr s SER 39 Cb -0.13 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.42 2djr s SER 39 CO -0.04 -0.62 0.43 0.03 0.98 0.00 0.00 173.24 174.02 2djr h ARG 40 N 1.02 -0.35 0.00 4.02 3.08 -1.96 -3.46 114.38 116.73 2djr h ARG 40 Ca -0.47 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2djr h ARG 40 Cb 1.19 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2djr h ARG 40 CO 0.61 -0.23 0.00 0.41 -1.07 0.00 0.00 179.97 179.69 2djr n GLY 41 N 0.82 -0.31 3.55 0.04 0.00 -1.26 -4.62 105.19 103.42 2djr n GLY 41 Ca -0.04 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.99 2.61 0.00 1.61 0.04 -1.26 -3.61 135.00 132.40 2djr s PRO 42 Ca 0.00 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2djr s PRO 42 Cb 0.00 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2djr s PRO 42 CO 0.00 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.57 2djr n GLY 43 N 5.95 0.78 3.91 0.56 0.00 -1.26 -5.16 105.19 109.97 2djr n GLY 43 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.37 3.89 -1.65 1.61 0.11 -1.24 -4.54 120.40 118.22 2djr s VAL 44 Ca 0.00 -1.21 -0.14 0.00 -2.93 0.00 0.00 61.98 57.70 2djr s VAL 44 Cb 0.00 -3.32 0.12 0.00 -1.53 0.00 0.00 36.38 31.65 2djr s VAL 44 CO 0.00 -0.19 0.63 -0.46 -3.33 0.00 0.00 175.10 171.75 2djr n ASN 45 N -1.46 -2.21 0.00 3.54 6.94 -1.26 -4.79 115.26 116.02 2djr n ASN 45 Ca -0.02 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.49 2djr n ASN 45 Cb 0.59 -2.63 0.00 0.00 -2.36 0.00 0.00 39.78 35.38 2djr n ASN 45 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2djr n VAL 46 N -4.38 0.00 0.14 3.53 0.31 -1.26 -5.04 118.33 111.63 2djr n VAL 46 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2djr n VAL 46 Cb 0.55 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 2.96 -0.89 2.65 2.92 0.00 -1.26 -5.01 105.19 106.56 2djr n GLY 47 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 1.30 -0.21 2.61 2.01 -1.26 -4.78 115.64 113.31 2djr s THR 48 Ca 0.00 -2.80 -0.39 0.00 0.31 0.00 0.00 61.69 58.82 2djr s THR 48 Cb 0.00 -1.89 -0.18 0.00 0.01 0.00 0.00 72.50 70.44 2djr s THR 48 CO 0.00 -1.00 1.18 0.41 -0.69 0.00 0.00 174.62 174.52 2djr n THR 49 N 3.16 0.00 -0.62 -0.82 -1.04 -1.26 -4.69 114.28 109.01 2djr n THR 49 Ca 0.16 0.00 0.48 0.00 -2.04 0.00 0.00 64.05 62.65 2djr n THR 49 Cb 0.38 -0.21 0.76 0.00 -1.82 0.00 0.00 70.33 69.44 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 2.39 1.68 -0.18 2.41 0.00 -1.26 0.17 120.51 125.71 2djr n ALA 50 Ca 0.22 0.73 -0.08 0.00 0.00 0.00 0.00 53.44 54.31 2djr n ALA 50 Cb 0.01 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.38 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 0.72 -0.94 0.00 3.38 -1.88 -2.73 115.31 113.86 2djr h LEU 51 Ca 0.91 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.90 2djr h LEU 51 Cb 3.40 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 43.85 2djr h LEU 51 CO -0.18 0.68 0.53 -0.50 0.09 0.00 0.00 178.44 179.06 2djr h TRP 52 N 0.71 0.92 0.00 1.13 4.06 0.14 0.47 115.95 123.37 2djr h TRP 52 Ca 0.18 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.16 2djr h TRP 52 Cb 0.18 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 28.08 2djr h TRP 52 CO 0.00 0.17 -0.02 0.87 -3.56 0.00 0.00 178.44 175.90 2djr h LYS 53 N 0.66 0.00 0.07 0.49 6.56 -1.49 0.40 116.57 123.26 2djr h LYS 53 Ca 0.54 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 59.83 2djr h LYS 53 Cb 0.86 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.50 2djr h LYS 53 CO -0.40 0.02 -1.59 1.25 -2.06 0.00 0.00 179.45 176.67 2djr h HIS 54 N 0.00 0.27 -0.11 -1.35 2.76 -0.21 -2.91 115.15 113.61 2djr h HIS 54 Ca -0.00 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 57.93 2djr h HIS 54 Cb 0.04 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 2djr h HIS 54 CO 0.00 1.29 -0.08 -0.07 -1.30 0.00 0.00 177.93 177.77 2djr h LEU 55 N 0.04 0.25 0.00 0.26 3.38 -0.18 -1.95 115.31 117.11 2djr h LEU 55 Ca -0.26 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2djr h LEU 55 Cb 1.99 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.67 2djr h LEU 55 CO 0.12 0.65 0.00 0.29 0.09 0.00 0.00 178.44 179.59 2djr n LYS 56 N -4.67 0.01 0.06 1.13 5.02 0.07 0.21 118.16 119.98 2djr n LYS 56 Ca -0.07 0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 2djr n LYS 56 Cb 0.30 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.58 0.00 4.39 0.02 -1.33 -3.35 113.55 113.85 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 0.43 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2djr h SER 57 CO 0.00 1.78 -0.86 1.15 -1.14 0.00 0.00 176.83 177.76 2djr n MET 58 N -3.57 1.33 -0.81 3.45 0.00 -0.75 -4.71 117.12 112.07 2djr n MET 58 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.36 2djr n MET 58 Cb 1.07 -0.93 0.20 0.00 0.00 0.00 0.00 33.22 33.56 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 -2.14 1.98 -0.31 3.17 8.25 0.55 -4.50 115.22 122.22 2djr n HIS 59 Ca 0.00 -1.12 0.13 0.00 -0.26 0.00 0.00 57.72 56.47 2djr n HIS 59 Cb 0.43 -0.62 0.36 0.00 1.12 0.00 0.00 29.99 31.28 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 1.60 0.69 -0.26 -0.41 2.43 -0.47 -0.33 114.38 117.64 2djr h ARG 60 Ca 0.29 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2djr h ARG 60 Cb 2.07 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.46 2djr h ARG 60 CO 0.64 0.46 -0.28 0.93 -1.51 0.00 0.00 179.97 180.20 2djr h GLU 61 N 0.71 0.65 -0.08 0.20 3.07 -1.85 -1.45 114.58 115.83 2djr h GLU 61 Ca 0.50 -0.35 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 2djr h GLU 61 Cb 0.83 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2djr h GLU 61 CO -0.27 0.96 -0.08 1.49 -1.40 0.00 0.00 179.01 179.71 2djr h GLU 62 N 0.37 0.11 0.12 2.33 4.57 -1.50 0.17 114.58 120.75 2djr h GLU 62 Ca 0.04 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2djr h GLU 62 Cb 0.85 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2djr h GLU 62 CO 0.07 0.21 -0.06 -0.07 -1.18 0.00 0.00 179.01 177.98 2djr h LEU 63 N 0.11 -0.14 -0.19 1.64 3.38 -1.00 -3.27 115.31 115.84 2djr h LEU 63 Ca 0.03 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2djr h LEU 63 Cb 0.22 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2djr h LEU 63 CO 0.01 0.30 -0.17 -0.33 0.09 0.00 0.00 178.44 178.34 2djr h GLU 64 N -0.97 -0.18 -1.40 1.13 5.08 -1.25 0.23 114.58 117.22 2djr h GLU 64 Ca -0.02 0.01 0.41 0.00 -1.00 0.00 0.00 59.36 58.76 2djr h GLU 64 Cb 0.13 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2djr h GLU 64 CO 0.03 -0.12 0.98 1.57 -1.00 0.00 0.00 179.01 180.47 2djr h LYS 65 N -0.18 0.06 0.00 2.33 2.10 -1.12 -1.47 116.57 118.28 2djr h LYS 65 Ca 0.12 -0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.63 2djr h LYS 65 Cb 0.36 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 2djr h LYS 65 CO -0.30 0.04 -0.92 1.03 -2.00 0.00 0.00 179.45 177.29 2djr h SER 66 N 0.06 0.00 0.00 7.07 0.87 -1.09 -3.49 113.55 116.96 2djr h SER 66 Ca 0.71 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2djr h SER 66 Cb 2.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.59 2djr h SER 66 CO -0.10 1.19 0.00 0.61 -0.53 0.00 0.00 176.83 177.99 2djr n GLY 67 N 1.51 0.04 1.69 5.77 0.00 0.62 -5.05 105.19 109.77 2djr n GLY 67 Ca -0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 2.09 0.18 1.61 8.25 -0.78 -4.79 115.22 121.77 2djr n HIS 68 Ca 0.00 -2.10 -0.09 0.00 -0.26 0.00 0.00 57.72 55.27 2djr n HIS 68 Cb 0.00 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 30.58 2djr n HIS 68 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2djr h GLY 69 N 1.78 -0.55 -7.19 -1.41 0.00 -1.87 -3.38 103.07 90.45 2djr h GLY 69 Ca 0.32 0.20 -0.80 0.00 0.00 0.00 0.00 47.33 47.05 2djr h GLY 69 CO 0.68 -0.20 0.73 0.61 0.00 0.00 0.00 176.54 178.36 2djr n GLN 70 N -5.12 4.02 -0.08 4.80 0.00 -1.26 -4.76 117.38 114.97 2djr n GLN 70 Ca -0.07 -4.45 -0.20 0.00 0.00 0.00 0.00 57.00 52.29 2djr n GLN 70 Cb 0.22 -2.57 -0.12 0.00 0.00 0.00 0.00 30.24 27.78 2djr n GLN 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2djr h SER 71 N 6.01 0.04 -5.17 2.61 0.87 -1.94 -3.49 113.55 112.47 2djr h SER 71 Ca 0.20 -0.67 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 2djr h SER 71 Cb 0.73 -0.01 -0.09 0.00 -0.44 0.00 0.00 62.40 62.59 2djr h SER 71 CO 1.22 1.39 -0.04 -0.83 -0.53 0.00 0.00 176.83 178.04 2djr s GLY 72 N -4.72 0.30 0.47 5.77 0.00 -1.26 -5.05 107.32 102.83 2djr s GLY 72 Ca -0.26 -0.65 -0.22 0.00 0.00 0.00 0.00 44.72 43.59 2djr s GLY 72 CO 0.63 -0.47 1.16 2.56 0.00 0.00 0.00 173.10 176.98 2djr s PRO 73 N -3.97 3.69 -0.28 2.90 0.04 -1.26 -5.03 135.00 131.08 2djr s PRO 73 Ca 0.18 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.91 2djr s PRO 73 Cb -0.02 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2djr s PRO 73 CO 0.06 -0.60 0.04 -1.12 0.04 0.00 0.00 177.00 175.41 2djr s SER 74 N -1.43 4.90 -0.86 6.66 0.01 -1.26 -4.85 113.70 116.88 2djr s SER 74 Ca 0.65 -0.79 -0.16 0.00 1.31 0.00 0.00 55.95 56.96 2djr s SER 74 Cb -0.28 -1.81 0.19 0.00 0.21 0.00 0.00 66.02 64.33 2djr s SER 74 CO 0.33 -0.18 0.89 -0.44 0.41 0.00 0.00 173.24 174.25 2djr s SER 75 N 1.44 6.72 0.00 2.44 0.01 -1.26 -5.26 113.70 117.79 2djr s SER 75 Ca 0.01 -2.48 0.00 0.00 1.31 0.00 0.00 55.95 54.79 2djr s SER 75 Cb -0.17 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2djr s SER 75 CO 0.00 -0.73 0.33 0.61 0.41 0.00 0.00 173.24 173.86