#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 1.98 -3.74 1.61 7.64 -1.26 -5.02 113.62 114.83 2djr n SER 2 Ca 0.00 0.99 -0.13 0.00 1.01 0.00 0.00 58.87 60.74 2djr n SER 2 Cb 0.00 -1.47 -0.14 0.00 -1.01 0.00 0.00 64.21 61.59 2djr n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2djr s SER 3 N -0.84 -0.16 -0.32 6.43 0.01 -1.26 -5.01 113.70 112.56 2djr s SER 3 Ca 0.68 0.38 -0.04 0.00 1.31 0.00 0.00 55.95 58.28 2djr s SER 3 Cb -0.47 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2djr s SER 3 CO 0.53 -0.16 0.12 0.61 0.41 0.00 0.00 173.24 174.75 2djr n GLY 4 N 4.22 -3.47 3.43 3.44 0.00 -1.26 -5.03 105.19 106.52 2djr n GLY 4 Ca -0.26 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 2djr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djr s SER 5 N -1.78 3.60 0.20 1.61 0.15 -1.26 -5.11 113.70 111.11 2djr s SER 5 Ca 0.05 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 55.88 2djr s SER 5 Cb -0.01 -0.48 -0.08 0.00 -1.71 0.00 0.00 66.02 63.74 2djr s SER 5 CO 0.74 0.24 1.22 -0.55 1.20 0.00 0.00 173.24 176.09 2djr s SER 6 N -1.57 7.05 -1.18 5.45 0.15 -1.26 -3.72 113.70 118.62 2djr s SER 6 Ca 0.14 2.29 -0.23 0.00 0.70 0.00 0.00 55.95 58.85 2djr s SER 6 Cb -0.10 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2djr s SER 6 CO 0.05 -0.40 0.44 0.61 1.20 0.00 0.00 173.24 175.15 2djr n GLY 7 N 2.11 -0.57 1.43 9.45 0.00 -1.26 -4.38 105.19 111.98 2djr n GLY 7 Ca 0.04 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.02 3.53 0.05 1.61 3.41 -1.24 -4.46 113.62 114.49 2djr n SER 8 Ca -0.15 -3.80 0.12 0.00 -0.26 0.00 0.00 58.87 54.77 2djr n SER 8 Cb 0.54 -0.57 0.10 0.00 -0.26 0.00 0.00 64.21 64.02 2djr n SER 8 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2djr n GLU 9 N -0.99 0.31 0.14 4.33 0.28 -1.26 -3.92 120.64 119.52 2djr n GLU 9 Ca 0.37 0.05 0.09 0.00 -0.16 0.00 0.00 57.16 57.51 2djr n GLU 9 Cb 0.93 -1.65 0.50 0.00 1.43 0.00 0.00 31.44 32.64 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2djr n ALA 10 N -1.84 1.06 0.29 -1.84 0.00 -1.26 -1.60 120.51 115.31 2djr n ALA 10 Ca 0.03 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.77 2djr n ALA 10 Cb 0.44 -1.27 0.86 0.00 0.00 0.00 0.00 19.45 19.48 2djr n ALA 10 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2djr h TRP 11 N 0.00 0.00 0.00 0.00 4.06 -1.90 -1.27 115.95 116.85 2djr h TRP 11 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2djr h TRP 11 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2djr h TRP 11 CO 0.00 0.03 0.02 0.39 -3.56 0.00 0.00 178.44 175.32 2djr n GLU 12 N -3.81 0.08 -0.30 0.49 -0.58 -0.63 -0.20 120.64 115.69 2djr n GLU 12 Ca -0.03 0.58 0.08 0.00 -0.42 0.00 0.00 57.16 57.37 2djr n GLU 12 Cb 0.12 -1.79 0.20 0.00 -0.57 0.00 0.00 31.44 29.41 2djr n GLU 12 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2djr n TYR 13 N -1.94 0.61 -3.75 -0.32 4.01 -0.48 -4.87 117.16 110.42 2djr n TYR 13 Ca -0.01 -0.84 -0.13 0.00 -0.16 0.00 0.00 57.90 56.77 2djr n TYR 13 Cb 0.03 -0.23 -0.08 0.00 -0.31 0.00 0.00 39.34 38.76 2djr n TYR 13 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2djr s PHE 14 N -2.51 -0.16 -0.03 -0.72 0.40 0.72 0.53 117.98 116.21 2djr s PHE 14 Ca 0.35 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.83 2djr s PHE 14 Cb 0.28 0.10 0.03 0.00 0.51 0.00 0.00 43.02 43.95 2djr s PHE 14 CO 0.08 -0.44 0.06 -3.38 0.70 0.00 0.00 175.22 172.23 2djr s HIS 15 N -1.83 -0.01 0.35 0.36 -3.43 0.16 -4.80 115.29 106.09 2djr s HIS 15 Ca -0.10 0.22 -0.27 0.00 -0.80 0.00 0.00 55.06 54.11 2djr s HIS 15 Cb -0.03 -0.22 -0.09 0.00 -1.43 0.00 0.00 32.58 30.80 2djr s HIS 15 CO 0.01 -0.12 1.21 -0.51 -2.00 0.00 0.00 174.74 173.34 2djr s LEU 16 N 1.19 4.34 0.01 5.38 1.43 -1.26 -0.22 118.68 129.56 2djr s LEU 16 Ca -0.08 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.37 2djr s LEU 16 Cb -0.13 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.23 2djr s LEU 16 CO -0.04 -0.54 0.37 0.00 0.23 0.00 0.00 176.35 176.38 2djr s ALA 17 N -1.26 3.73 0.63 4.21 0.00 -1.24 -4.91 121.76 122.92 2djr s ALA 17 Ca 0.52 -0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 2djr s ALA 17 Cb -0.35 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.46 2djr s ALA 17 CO 0.45 0.53 1.11 -1.25 0.00 0.00 0.00 175.76 176.60 2djr s PRO 18 N -1.37 2.92 -0.75 0.00 0.04 -1.26 -4.12 135.00 130.46 2djr s PRO 18 Ca 0.26 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 2djr s PRO 18 Cb -0.15 -1.96 -0.28 0.00 0.04 0.00 0.00 34.50 32.14 2djr s PRO 18 CO 0.14 -1.16 1.95 0.00 0.04 0.00 0.00 177.00 177.97 2djr n ALA 19 N -2.17 0.38 -0.04 8.56 0.00 -1.26 -4.30 120.51 121.68 2djr n ALA 19 Ca 0.11 -2.37 -0.04 0.00 0.00 0.00 0.00 53.44 51.14 2djr n ALA 19 Cb 0.52 -3.46 -0.07 0.00 0.00 0.00 0.00 19.45 16.44 2djr n ALA 19 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2djr n ARG 20 N 8.08 2.47 -0.03 0.00 -4.01 -1.26 -4.70 116.66 117.20 2djr n ARG 20 Ca 0.43 0.00 -0.13 0.00 -1.04 0.00 0.00 57.85 57.11 2djr n ARG 20 Cb 0.45 -1.22 -0.11 0.00 -3.04 0.00 0.00 32.46 28.55 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2djr h ALA 21 N 0.39 -0.03 0.00 2.89 0.00 -1.98 -3.50 119.26 117.03 2djr h ALA 21 Ca -0.23 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2djr h ALA 21 Cb 1.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2djr h ALA 21 CO 0.01 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.53 2djr n GLY 22 N 0.94 -1.62 3.26 0.00 0.00 -1.26 -5.14 105.19 101.36 2djr n GLY 22 Ca -0.09 0.69 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.81 -1.09 1.61 8.25 -1.26 -4.78 115.22 115.14 2djr n HIS 23 Ca 0.00 0.44 -0.37 0.00 -0.26 0.00 0.00 57.72 57.53 2djr n HIS 23 Cb 0.00 -1.70 0.03 0.00 1.12 0.00 0.00 29.99 29.44 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 -1.56 -4.03 -0.64 4.41 -0.00 -1.26 -4.82 115.22 107.32 2djr n HIS 24 Ca 0.08 0.19 -0.08 0.00 -0.00 0.00 0.00 57.72 57.91 2djr n HIS 24 Cb 0.47 -1.52 0.07 0.00 -0.00 0.00 0.00 29.99 29.02 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 1.98 -1.61 -3.40 -1.40 -0.04 -1.26 -4.48 135.00 124.79 2djr n PRO 25 Ca 0.03 -0.48 -0.19 0.00 -0.04 0.00 0.00 63.50 62.82 2djr n PRO 25 Cb 0.50 -0.45 0.07 0.00 -0.04 0.00 0.00 33.50 33.59 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 -3.51 -4.46 -0.04 3.54 3.02 -1.26 -4.92 115.26 107.63 2djr n ASN 26 Ca 0.04 -0.51 -0.05 0.00 -0.03 0.00 0.00 54.58 54.03 2djr n ASN 26 Cb 0.16 -4.57 -0.03 0.00 -0.61 0.00 0.00 39.78 34.73 2djr n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2djr n GLN 27 N -4.24 0.19 -4.25 3.52 10.64 -1.26 -5.01 117.38 116.96 2djr n GLN 27 Ca -0.09 0.05 -0.20 0.00 -1.83 0.00 0.00 57.00 54.93 2djr n GLN 27 Cb 0.59 -1.12 -0.12 0.00 -0.86 0.00 0.00 30.24 28.73 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2djr s TYR 28 N -2.15 1.49 -0.13 2.61 1.51 -1.26 -4.30 117.35 115.13 2djr s TYR 28 Ca -0.10 -0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2djr s TYR 28 Cb 0.03 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 41.06 2djr s TYR 28 CO 0.17 0.16 -0.12 0.00 -1.11 0.00 0.00 175.55 174.65 2djr s ALA 29 N -1.71 2.66 -0.44 3.71 0.00 0.14 -3.73 121.76 122.38 2djr s ALA 29 Ca 0.07 -0.89 -0.19 0.00 0.00 0.00 0.00 51.96 50.95 2djr s ALA 29 Cb -0.07 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2djr s ALA 29 CO 0.04 0.27 0.56 0.99 0.00 0.00 0.00 175.76 177.62 2djr s THR 30 N 0.26 4.93 -0.04 0.00 2.01 0.69 -0.31 115.64 123.19 2djr s THR 30 Ca -0.09 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 2djr s THR 30 Cb -0.15 -4.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 2djr s THR 30 CO 0.05 -0.57 2.02 0.00 -0.69 0.00 0.00 174.62 175.44 2djr n ARG 32 N 7.88 0.92 -0.11 0.00 1.74 0.19 -0.01 116.66 127.27 2djr n ARG 32 Ca 0.23 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.10 2djr n ARG 32 Cb 0.42 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.35 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 -0.92 1.88 -0.02 0.55 4.77 -1.25 -4.78 117.00 117.23 2djr n LEU 33 Ca 0.18 0.43 -0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2djr n LEU 33 Cb 0.08 -0.90 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 2djr n LEU 33 CO 0.14 0.19 -0.64 0.00 -1.33 0.00 0.00 177.39 175.75 2djr n GLY 35 N 2.89 1.54 3.82 0.00 0.00 0.99 -5.03 105.19 109.40 2djr n GLY 35 Ca -0.07 0.00 -0.37 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 -0.33 4.17 -0.28 1.61 1.81 -1.25 -4.67 118.95 120.00 2djr s ARG 36 Ca 0.00 0.72 -0.23 0.00 -1.72 0.00 0.00 55.73 54.51 2djr s ARG 36 Cb 0.00 -3.03 -0.01 0.00 -0.45 0.00 0.00 34.95 31.46 2djr s ARG 36 CO 0.00 0.51 0.75 -0.65 -0.68 0.00 0.00 175.30 175.23 2djr s GLN 37 N -1.64 4.04 -0.17 3.54 -0.21 -1.26 -1.14 119.66 122.81 2djr s GLN 37 Ca 0.36 0.64 0.01 0.00 0.02 0.00 0.00 55.36 56.39 2djr s GLN 37 Cb -0.17 -3.69 0.03 0.00 1.00 0.00 0.00 33.01 30.17 2djr s GLN 37 CO 0.20 -0.58 -0.15 0.08 -2.12 0.00 0.00 175.29 172.72 2djr s VAL 38 N 2.81 1.76 -0.33 1.09 1.01 0.58 -4.90 120.40 122.41 2djr s VAL 38 Ca 0.31 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2djr s VAL 38 Cb -0.15 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2djr s VAL 38 CO 0.10 0.40 0.18 -0.94 0.00 0.00 0.00 175.10 174.84 2djr s SER 39 N 1.39 5.65 0.10 3.32 1.04 -1.26 0.23 113.70 124.17 2djr s SER 39 Ca 0.03 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 2djr s SER 39 Cb -0.14 -2.02 -0.06 0.00 0.10 0.00 0.00 66.02 63.90 2djr s SER 39 CO -0.11 -0.25 1.57 0.08 0.98 0.00 0.00 173.24 175.51 2djr h ARG 40 N 8.39 0.50 0.00 4.02 0.11 -1.97 -3.49 114.38 121.94 2djr h ARG 40 Ca -0.30 -0.14 0.13 0.00 0.10 0.00 0.00 59.98 59.77 2djr h ARG 40 Cb 1.13 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 2djr h ARG 40 CO 0.63 0.61 -0.17 0.41 0.10 0.00 0.00 179.97 181.55 2djr n GLY 41 N -0.44 -1.35 0.05 0.08 0.00 -1.26 -3.69 105.19 98.57 2djr n GLY 41 Ca -0.02 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.60 0.07 -0.26 1.61 -0.04 -1.26 -2.88 135.00 129.64 2djr n PRO 42 Ca 0.00 0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 2djr n PRO 42 Cb 0.22 -1.64 0.09 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.04 2.13 2.85 0.55 0.00 -1.24 -4.76 105.19 104.68 2djr n GLY 43 Ca 0.03 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 2djr n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djr s VAL 44 N -1.28 0.46 0.15 1.61 1.01 -1.14 -5.02 120.40 116.20 2djr s VAL 44 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2djr s VAL 44 Cb 0.12 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2djr s VAL 44 CO 0.04 0.23 0.07 0.20 0.00 0.00 0.00 175.10 175.63 2djr s ASN 45 N 1.21 0.40 -0.23 3.32 -0.87 -1.26 -4.96 114.94 112.55 2djr s ASN 45 Ca -0.07 -1.25 -0.35 0.00 -1.57 0.00 0.00 52.86 49.62 2djr s ASN 45 Cb -0.14 0.29 -0.16 0.00 -0.02 0.00 0.00 41.25 41.22 2djr s ASN 45 CO -0.02 -0.74 1.10 0.52 -2.57 0.00 0.00 177.10 175.40 2djr n VAL 46 N -0.16 0.00 0.00 1.60 0.31 -1.26 -3.92 118.33 114.89 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 0.64 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 2.35 0.14 2.62 2.92 0.00 -1.26 -5.03 105.19 106.93 2djr n GLY 47 Ca 0.21 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 0.99 -0.19 2.61 2.01 -1.25 -4.68 115.64 115.12 2djr s THR 48 Ca 0.00 -2.38 -0.41 0.00 0.31 0.00 0.00 61.69 59.21 2djr s THR 48 Cb 0.00 -1.70 -0.18 0.00 0.01 0.00 0.00 72.50 70.63 2djr s THR 48 CO 0.00 -0.96 1.46 0.41 -0.69 0.00 0.00 174.62 174.85 2djr n THR 49 N 3.57 0.09 -0.54 -0.82 -1.04 -1.26 -4.71 114.28 109.57 2djr n THR 49 Ca 0.12 -0.02 0.42 0.00 -2.04 0.00 0.00 64.05 62.53 2djr n THR 49 Cb 0.36 -0.66 0.66 0.00 -1.82 0.00 0.00 70.33 68.88 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 3.50 1.47 -0.07 2.41 0.00 -1.26 0.16 120.51 126.72 2djr n ALA 50 Ca 0.24 0.65 -0.10 0.00 0.00 0.00 0.00 53.44 54.23 2djr n ALA 50 Cb 0.08 -0.96 -0.03 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 0.29 -0.66 0.00 3.38 -1.94 -2.79 115.31 113.59 2djr h LEU 51 Ca 0.80 -0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.88 2djr h LEU 51 Cb 2.96 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 43.53 2djr h LEU 51 CO -0.17 0.24 0.04 -0.50 0.09 0.00 0.00 178.44 178.13 2djr h TRP 52 N 0.32 0.02 -0.92 1.13 4.06 0.13 0.28 115.95 120.97 2djr h TRP 52 Ca 0.09 0.05 0.18 0.00 2.06 0.00 0.00 58.89 61.27 2djr h TRP 52 Cb -0.01 0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.17 2djr h TRP 52 CO -0.05 -0.16 0.59 0.87 -3.56 0.00 0.00 178.44 176.13 2djr h LYS 53 N 0.15 0.54 0.01 0.49 1.57 -1.52 0.16 116.57 117.98 2djr h LYS 53 Ca 0.36 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.88 2djr h LYS 53 Cb 0.59 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2djr h LYS 53 CO -0.55 0.36 -0.95 1.25 -0.57 0.00 0.00 179.45 178.99 2djr h HIS 54 N 0.56 0.57 0.01 -1.35 2.76 -0.49 -1.70 115.15 115.51 2djr h HIS 54 Ca 0.48 -0.32 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 2djr h HIS 54 Cb 0.98 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2djr h HIS 54 CO -0.00 1.14 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.69 2djr h LEU 55 N 0.21 -0.01 0.00 0.26 3.38 0.59 -2.19 115.31 117.54 2djr h LEU 55 Ca -0.08 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2djr h LEU 55 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2djr h LEU 55 CO 0.16 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.34 2djr n LYS 56 N -4.92 0.08 0.09 1.13 5.02 0.34 0.24 118.16 120.14 2djr n LYS 56 Ca -0.08 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 2djr n LYS 56 Cb 0.20 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.60 0.00 4.39 0.87 -1.08 -3.36 113.55 114.96 2djr h SER 57 Ca 0.00 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2djr h SER 57 Cb 0.37 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2djr h SER 57 CO 0.00 1.68 -0.57 1.15 -0.53 0.00 0.00 176.83 178.56 2djr n MET 58 N -3.58 1.64 -0.80 2.24 0.00 -0.84 -4.75 117.12 111.03 2djr n MET 58 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.43 2djr n MET 58 Cb 1.07 -0.78 0.22 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 -1.55 1.94 0.12 3.17 8.25 0.67 -4.44 115.22 123.38 2djr n HIS 59 Ca 0.00 -1.03 0.12 0.00 -0.26 0.00 0.00 57.72 56.55 2djr n HIS 59 Cb 0.28 -0.59 0.62 0.00 1.12 0.00 0.00 29.99 31.42 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 1.87 0.10 0.17 -0.41 2.43 -0.50 -1.47 114.38 116.57 2djr h ARG 60 Ca 0.24 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 59.10 2djr h ARG 60 Cb 2.01 -0.02 0.03 0.00 -0.42 0.00 0.00 29.97 31.57 2djr h ARG 60 CO 0.60 0.07 -1.32 0.93 -1.51 0.00 0.00 179.97 178.74 2djr h GLU 61 N 0.10 0.50 0.59 0.20 5.08 -1.85 -3.26 114.58 115.95 2djr h GLU 61 Ca 0.12 -0.77 -0.03 0.00 -1.00 0.00 0.00 59.36 57.68 2djr h GLU 61 Cb 0.36 0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.89 2djr h GLU 61 CO -0.01 1.35 -0.28 1.49 -1.00 0.00 0.00 179.01 180.56 2djr h GLU 62 N 0.18 -0.76 -0.63 2.33 4.57 -1.63 -2.85 114.58 115.78 2djr h GLU 62 Ca -0.20 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 58.14 2djr h GLU 62 Cb 2.01 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 30.66 2djr h GLU 62 CO 0.24 -0.48 -0.36 -0.07 -1.18 0.00 0.00 179.01 177.17 2djr h LEU 63 N -0.87 -1.24 -0.68 1.64 3.38 -1.45 0.71 115.31 116.81 2djr h LEU 63 Ca -0.08 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.27 2djr h LEU 63 Cb 0.64 0.61 -0.12 0.00 0.09 0.00 0.00 40.66 41.88 2djr h LEU 63 CO 0.13 -0.31 -0.01 -0.33 0.09 0.00 0.00 178.44 178.02 2djr h GLU 64 N -0.16 0.10 -0.39 1.13 5.08 -1.58 -1.25 114.58 117.51 2djr h GLU 64 Ca 0.23 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.67 2djr h GLU 64 Cb 0.56 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 2djr h GLU 64 CO -0.71 0.07 -0.33 0.87 -1.00 0.00 0.00 179.01 177.91 2djr h LYS 65 N 0.10 -0.25 -7.34 2.33 1.79 -0.62 -3.42 116.57 109.17 2djr h LYS 65 Ca 0.36 0.02 -0.41 0.00 -2.18 0.00 0.00 60.65 58.43 2djr h LYS 65 Cb 0.60 0.06 0.19 0.00 -1.58 0.00 0.00 32.23 31.50 2djr h LYS 65 CO -0.59 -0.17 0.10 0.45 -1.08 0.00 0.00 179.45 178.16 2djr s SER 66 N -5.07 0.74 -0.03 0.86 0.15 -0.47 -4.86 113.70 105.02 2djr s SER 66 Ca -0.15 0.72 -0.04 0.00 0.70 0.00 0.00 55.95 57.19 2djr s SER 66 Cb 0.13 -1.02 -0.14 0.00 -1.71 0.00 0.00 66.02 63.28 2djr s SER 66 CO 0.68 -4.24 2.94 0.61 1.20 0.00 0.00 173.24 174.42 2djr n GLY 67 N -0.59 2.91 3.13 9.45 0.00 -1.26 -4.79 105.19 114.04 2djr n GLY 67 Ca 0.12 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 0.43 3.09 0.00 1.61 3.76 -1.25 -4.88 115.29 118.04 2djr s HIS 68 Ca 0.41 -1.87 0.00 0.00 -0.15 0.00 0.00 55.06 53.45 2djr s HIS 68 Cb 0.20 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.91 2djr s HIS 68 CO -0.01 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 2djr n GLY 69 N 4.57 -0.23 1.86 -2.22 0.00 -1.26 -4.31 105.19 103.59 2djr n GLY 69 Ca -0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2djr n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2djr n GLN 70 N -2.13 1.74 -1.52 1.61 6.02 -1.26 -4.94 117.38 116.89 2djr n GLN 70 Ca 0.00 -1.44 -0.49 0.00 -0.01 0.00 0.00 57.00 55.06 2djr n GLN 70 Cb 0.00 -1.57 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 2djr n GLN 70 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2djr n SER 71 N 0.42 2.55 0.00 1.08 3.41 -1.26 -4.52 113.62 115.30 2djr n SER 71 Ca 0.28 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 2djr n SER 71 Cb 0.58 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 6.05 0.66 3.57 5.00 0.00 -1.26 -4.93 105.19 114.29 2djr n GLY 72 Ca 0.36 -2.30 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.68 2.53 0.15 1.61 0.04 -1.26 -4.84 135.00 132.55 2djr s PRO 73 Ca 0.00 -0.78 -0.30 0.00 0.04 0.00 0.00 61.00 59.96 2djr s PRO 73 Cb 0.00 -5.16 -0.07 0.00 0.04 0.00 0.00 34.50 29.31 2djr s PRO 73 CO 0.00 -3.71 1.52 1.03 0.04 0.00 0.00 177.00 175.88 2djr h SER 74 N 10.41 -2.07 -0.10 6.66 0.87 -1.92 0.13 113.55 127.54 2djr h SER 74 Ca 0.16 0.31 0.03 0.00 -1.23 0.00 0.00 61.79 61.07 2djr h SER 74 Cb 0.97 0.91 -0.03 0.00 -0.44 0.00 0.00 62.40 63.80 2djr h SER 74 CO 1.22 -0.23 -0.11 0.28 -0.53 0.00 0.00 176.83 177.46 2djr h SER 75 N -0.02 -0.33 0.00 6.23 0.02 -1.98 -3.54 113.55 113.93 2djr h SER 75 Ca 0.15 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2djr h SER 75 Cb 0.40 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2djr h SER 75 CO -0.88 -0.15 0.00 0.61 -1.14 0.00 0.00 176.83 175.27