#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 6.63 -0.30 1.61 0.01 -1.26 -4.96 113.70 115.44 2djr s SER 2 Ca 0.00 -2.44 -0.06 0.00 1.31 0.00 0.00 55.95 54.76 2djr s SER 2 Cb 0.00 -2.23 0.16 0.00 0.21 0.00 0.00 66.02 64.16 2djr s SER 2 CO 0.00 -0.68 0.62 -0.44 0.41 0.00 0.00 173.24 173.15 2djr s SER 3 N 2.58 -1.24 0.00 2.44 0.01 -1.26 -5.14 113.70 111.09 2djr s SER 3 Ca 0.16 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2djr s SER 3 Cb -0.14 2.22 0.00 0.00 0.21 0.00 0.00 66.02 68.32 2djr s SER 3 CO -0.06 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2djr n GLY 4 N 5.44 -2.81 3.64 3.44 0.00 -1.26 -5.04 105.19 108.60 2djr n GLY 4 Ca -0.07 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.91 3.57 -0.16 1.61 0.01 -1.26 -5.05 113.70 110.51 2djr s SER 5 Ca 0.00 -1.56 -0.07 0.00 1.31 0.00 0.00 55.95 55.62 2djr s SER 5 Cb 0.00 0.24 0.06 0.00 0.21 0.00 0.00 66.02 66.53 2djr s SER 5 CO 0.00 -0.75 0.36 -0.55 0.41 0.00 0.00 173.24 172.71 2djr s SER 6 N -3.73 -0.32 -1.48 2.44 0.15 -1.26 -4.92 113.70 104.57 2djr s SER 6 Ca 0.20 0.79 -0.07 0.00 0.70 0.00 0.00 55.95 57.57 2djr s SER 6 Cb 0.05 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 65.18 2djr s SER 6 CO 0.10 -0.20 0.66 0.61 1.20 0.00 0.00 173.24 175.61 2djr n GLY 7 N 4.56 -0.33 1.63 9.45 0.00 -1.26 -4.70 105.19 114.53 2djr n GLY 7 Ca -0.20 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2djr n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djr n SER 8 N -2.90 5.27 0.09 1.61 7.64 -1.26 -4.18 113.62 119.91 2djr n SER 8 Ca -0.16 -2.70 -0.14 0.00 1.01 0.00 0.00 58.87 56.88 2djr n SER 8 Cb 0.61 -0.96 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 2djr n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2djr h GLU 9 N 1.02 0.21 -0.94 1.43 4.57 -1.99 -3.26 114.58 115.62 2djr h GLU 9 Ca 0.17 -0.36 0.27 0.00 -1.18 0.00 0.00 59.36 58.26 2djr h GLU 9 Cb 1.10 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.79 2djr h GLU 9 CO 0.41 1.17 0.68 0.00 -1.18 0.00 0.00 179.01 180.09 2djr h ALA 10 N 0.67 2.89 -0.66 2.92 0.00 -1.98 0.21 119.26 123.31 2djr h ALA 10 Ca -0.11 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 54.96 2djr h ALA 10 Cb 1.93 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2djr h ALA 10 CO 0.19 -1.16 0.48 -1.49 0.00 0.00 0.00 179.25 177.27 2djr h TRP 11 N 0.00 0.00 0.00 0.00 4.06 -1.90 0.26 115.95 118.38 2djr h TRP 11 Ca 0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.40 2djr h TRP 11 Cb 1.79 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.95 2djr h TRP 11 CO -0.00 0.00 0.03 0.39 -3.56 0.00 0.00 178.44 175.30 2djr n GLU 12 N -4.33 0.04 -0.33 0.49 -0.58 0.75 0.02 120.64 116.70 2djr n GLU 12 Ca 0.13 0.52 0.08 0.00 -0.42 0.00 0.00 57.16 57.48 2djr n GLU 12 Cb 0.74 -1.68 0.22 0.00 -0.57 0.00 0.00 31.44 30.14 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 -1.73 0.69 -3.74 -0.32 4.02 0.92 -4.87 117.16 112.13 2djr n TYR 13 Ca -0.00 -0.84 -0.11 0.00 -0.01 0.00 0.00 57.90 56.93 2djr n TYR 13 Cb 0.04 -0.24 -0.07 0.00 -0.02 0.00 0.00 39.34 39.06 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 -2.56 -0.11 -0.08 -0.72 0.40 0.10 0.25 117.98 115.26 2djr s PHE 14 Ca 0.37 -0.07 -0.03 0.00 -0.60 0.00 0.00 56.93 56.59 2djr s PHE 14 Cb 0.29 0.12 0.04 0.00 0.51 0.00 0.00 43.02 43.98 2djr s PHE 14 CO 0.08 -0.55 0.17 -3.38 0.70 0.00 0.00 175.22 172.24 2djr s HIS 15 N -2.87 -0.20 0.17 0.36 -3.43 0.16 -4.80 115.29 104.68 2djr s HIS 15 Ca -0.03 0.57 -0.30 0.00 -0.80 0.00 0.00 55.06 54.50 2djr s HIS 15 Cb 0.00 -0.10 -0.08 0.00 -1.43 0.00 0.00 32.58 30.98 2djr s HIS 15 CO -0.05 -0.20 1.22 -0.51 -2.00 0.00 0.00 174.74 173.19 2djr s LEU 16 N 1.44 4.43 0.25 5.38 1.43 -1.26 -0.27 118.68 130.07 2djr s LEU 16 Ca -0.07 2.23 -0.07 0.00 -1.03 0.00 0.00 54.13 55.19 2djr s LEU 16 Cb -0.12 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.44 2djr s LEU 16 CO -0.06 -0.41 0.53 0.00 0.23 0.00 0.00 176.35 176.63 2djr s ALA 17 N 0.16 3.61 0.55 4.21 0.00 -1.23 -4.94 121.76 124.12 2djr s ALA 17 Ca 0.54 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.89 2djr s ALA 17 Cb -0.33 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2djr s ALA 17 CO 0.36 0.41 1.13 -1.25 0.00 0.00 0.00 175.76 176.40 2djr s PRO 18 N -3.12 3.32 -0.79 0.00 0.04 -1.26 -3.99 135.00 129.20 2djr s PRO 18 Ca 0.45 1.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.84 2djr s PRO 18 Cb -0.11 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 2djr s PRO 18 CO 0.25 -0.87 2.14 0.00 0.04 0.00 0.00 177.00 178.56 2djr s ALA 19 N -1.81 1.38 -0.26 8.56 0.00 -1.26 -4.92 121.76 123.46 2djr s ALA 19 Ca 0.72 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 2djr s ALA 19 Cb -0.24 -4.51 -0.02 0.00 0.00 0.00 0.00 23.12 18.35 2djr s ALA 19 CO 0.28 -5.05 0.07 1.03 0.00 0.00 0.00 175.76 172.09 2djr s ARG 20 N 7.78 3.53 -1.68 0.00 1.81 -1.26 -4.59 118.95 124.54 2djr s ARG 20 Ca 0.80 -0.56 -0.14 0.00 -1.72 0.00 0.00 55.73 54.10 2djr s ARG 20 Cb -0.11 -3.33 0.13 0.00 -0.45 0.00 0.00 34.95 31.20 2djr s ARG 20 CO 0.07 -0.25 0.58 0.00 -0.68 0.00 0.00 175.30 175.03 2djr n ALA 21 N 4.91 -1.47 -3.00 2.13 0.00 -1.26 -4.85 120.51 116.97 2djr n ALA 21 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2djr n ALA 21 Cb 0.51 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 -1.57 2.23 3.66 0.00 0.00 -1.26 -5.17 105.19 103.08 2djr n GLY 22 Ca -0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -6.88 1.51 0.88 1.61 3.76 -1.26 -4.95 115.29 109.95 2djr s HIS 23 Ca 0.00 0.77 -0.17 0.00 -0.15 0.00 0.00 55.06 55.51 2djr s HIS 23 Cb 0.00 -3.37 -0.13 0.00 1.11 0.00 0.00 32.58 30.19 2djr s HIS 23 CO 0.00 -3.25 -0.52 -2.39 -0.85 0.00 0.00 174.74 167.73 2djr n HIS 24 N -4.38 -4.27 -0.59 1.40 -0.00 -1.26 -4.65 115.22 101.47 2djr n HIS 24 Ca 0.08 0.10 -0.05 0.00 -0.00 0.00 0.00 57.72 57.85 2djr n HIS 24 Cb 0.58 -1.53 0.04 0.00 -0.00 0.00 0.00 29.99 29.08 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 1.84 -1.39 -3.62 -1.40 -0.04 -1.26 -4.41 135.00 124.73 2djr n PRO 25 Ca 0.01 -0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 62.93 2djr n PRO 25 Cb 0.54 -0.28 0.08 0.00 -0.04 0.00 0.00 33.50 33.79 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 -3.32 -6.04 -0.07 3.54 4.13 -1.26 -4.90 115.26 107.34 2djr n ASN 26 Ca 0.03 -0.56 -0.10 0.00 1.68 0.00 0.00 54.58 55.62 2djr n ASN 26 Cb 0.10 -4.95 -0.06 0.00 -1.54 0.00 0.00 39.78 33.32 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 -4.95 0.35 -4.78 3.52 10.64 -1.26 -5.00 117.38 115.90 2djr n GLN 27 Ca -0.00 0.08 -0.26 0.00 -1.83 0.00 0.00 57.00 54.99 2djr n GLN 27 Cb 0.56 -1.27 -0.15 0.00 -0.86 0.00 0.00 30.24 28.52 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 -2.28 1.84 -0.22 2.61 2.02 -1.26 -3.97 117.35 116.10 2djr s TYR 28 Ca -0.19 -0.37 -0.06 0.00 -0.37 0.00 0.00 57.07 56.08 2djr s TYR 28 Cb 0.05 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.45 2djr s TYR 28 CO 0.32 0.05 0.03 0.00 -1.57 0.00 0.00 175.55 174.38 2djr s ALA 29 N -0.69 3.09 -0.43 3.71 0.00 -1.17 -3.47 121.76 122.80 2djr s ALA 29 Ca 0.08 -1.04 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 2djr s ALA 29 Cb -0.09 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.16 2djr s ALA 29 CO 0.01 -0.27 0.70 0.99 0.00 0.00 0.00 175.76 177.18 2djr s THR 30 N 1.22 4.77 0.06 0.00 2.01 0.62 -0.38 115.64 123.95 2djr s THR 30 Ca 0.04 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 2djr s THR 30 Cb -0.15 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 2djr s THR 30 CO 0.02 -0.59 1.84 0.00 -0.69 0.00 0.00 174.62 175.20 2djr n ARG 32 N 6.51 1.21 -0.11 0.00 1.74 0.14 -0.69 116.66 125.46 2djr n ARG 32 Ca 0.18 -0.31 -0.24 0.00 -0.77 0.00 0.00 57.85 56.72 2djr n ARG 32 Cb 0.40 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 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 -0.59 1.89 -0.04 0.55 4.77 -1.25 -4.78 117.00 117.55 2djr n LEU 33 Ca 0.20 0.40 -0.06 0.00 -0.03 0.00 0.00 56.01 56.53 2djr n LEU 33 Cb 0.18 -0.91 -0.05 0.00 -2.33 0.00 0.00 43.42 40.31 2djr n LEU 33 CO 0.16 0.34 -0.79 0.00 -1.33 0.00 0.00 177.39 175.77 2djr n GLY 35 N 2.93 1.95 3.78 0.00 0.00 0.13 -5.04 105.19 108.93 2djr n GLY 35 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.64 3.02 -0.04 1.61 0.52 -1.25 -4.74 118.95 117.42 2djr s ARG 36 Ca 0.00 -0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 54.45 2djr s ARG 36 Cb 0.00 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.60 2djr s ARG 36 CO 0.00 0.63 0.70 -0.65 0.02 0.00 0.00 175.30 176.00 2djr s GLN 37 N -1.84 4.43 -0.33 3.54 -0.21 -1.26 -0.67 119.66 123.33 2djr s GLN 37 Ca 0.24 0.90 0.01 0.00 0.02 0.00 0.00 55.36 56.52 2djr s GLN 37 Cb -0.12 -3.42 0.10 0.00 1.00 0.00 0.00 33.01 30.57 2djr s GLN 37 CO 0.15 0.13 0.10 0.08 -2.12 0.00 0.00 175.29 173.63 2djr s VAL 38 N 0.57 1.29 -0.12 1.09 1.01 0.48 -4.91 120.40 119.81 2djr s VAL 38 Ca 0.37 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 2djr s VAL 38 Cb -0.18 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 34.16 2djr s VAL 38 CO 0.19 -0.68 2.10 -1.54 0.00 0.00 0.00 175.10 175.16 2djr n SER 39 N 4.56 3.55 0.25 3.32 3.41 -1.26 -3.02 113.62 124.43 2djr n SER 39 Ca 0.01 0.56 -0.17 0.00 -0.26 0.00 0.00 58.87 59.00 2djr n SER 39 Cb 0.41 -1.51 -0.09 0.00 -0.26 0.00 0.00 64.21 62.76 2djr n SER 39 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2djr h ARG 40 N 12.62 -0.89 0.00 4.33 2.43 -1.95 -3.49 114.38 127.43 2djr h ARG 40 Ca -0.44 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2djr h ARG 40 Cb 1.25 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2djr h ARG 40 CO 0.96 -0.59 0.00 0.41 -1.51 0.00 0.00 179.97 179.23 2djr n GLY 41 N -1.52 -1.12 0.00 2.80 0.00 -1.26 -4.92 105.19 99.17 2djr n GLY 41 Ca -0.11 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 0.00 0.25 -1.06 1.61 -0.04 -1.26 -4.64 135.00 129.85 2djr n PRO 42 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2djr n PRO 42 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 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 2.44 -0.35 2.22 0.55 0.00 -1.26 -4.71 105.19 104.09 2djr n GLY 43 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 4.46 3.40 -2.53 1.61 3.14 -1.26 -4.84 118.33 122.31 2djr n VAL 44 Ca 0.48 -2.84 -0.43 0.00 -2.96 0.00 0.00 64.34 58.59 2djr n VAL 44 Cb 0.07 -0.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 2djr n VAL 44 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2djr n ASN 45 N -0.96 5.14 -4.07 6.55 4.13 -1.26 -4.72 115.26 120.07 2djr n ASN 45 Ca 0.59 -3.07 -0.15 0.00 1.68 0.00 0.00 54.58 53.63 2djr n ASN 45 Cb 0.91 -1.51 -0.12 0.00 -1.54 0.00 0.00 39.78 37.52 2djr n ASN 45 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2djr s VAL 46 N 0.75 0.64 0.48 2.41 0.11 -1.26 -5.02 120.40 118.51 2djr s VAL 46 Ca 0.41 -0.96 0.35 0.00 -2.93 0.00 0.00 61.98 58.84 2djr s VAL 46 Cb 0.06 -0.66 0.55 0.00 -1.53 0.00 0.00 36.38 34.79 2djr s VAL 46 CO 0.00 -0.24 1.66 1.23 -3.33 0.00 0.00 175.10 174.42 2djr h GLY 47 N 4.76 0.79 -7.60 6.54 0.00 -1.92 -2.99 103.07 102.65 2djr h GLY 47 Ca -0.35 -0.08 -0.76 0.00 0.00 0.00 0.00 47.33 46.13 2djr h GLY 47 CO 0.42 -0.22 0.12 -1.59 0.00 0.00 0.00 176.54 175.28 2djr s THR 48 N -5.16 5.26 0.11 4.70 2.01 -1.26 -4.69 115.64 116.60 2djr s THR 48 Ca -0.07 -3.15 -0.36 0.00 0.31 0.00 0.00 61.69 58.42 2djr s THR 48 Cb 0.28 -4.23 -0.16 0.00 0.01 0.00 0.00 72.50 68.40 2djr s THR 48 CO 0.83 -1.08 1.43 0.41 -0.69 0.00 0.00 174.62 175.52 2djr n THR 49 N 3.13 0.00 -0.55 -0.82 -1.04 -1.13 -4.74 114.28 109.13 2djr n THR 49 Ca 0.18 -0.00 0.42 0.00 -2.04 0.00 0.00 64.05 62.61 2djr n THR 49 Cb 0.41 -1.07 0.65 0.00 -1.82 0.00 0.00 70.33 68.50 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 2.85 1.49 0.24 2.41 0.00 -1.26 0.10 120.51 126.34 2djr n ALA 50 Ca 0.18 0.56 -0.15 0.00 0.00 0.00 0.00 53.44 54.03 2djr n ALA 50 Cb 0.22 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.50 -0.94 0.00 3.38 -1.95 -3.15 115.31 112.15 2djr h LEU 51 Ca 0.76 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.82 2djr h LEU 51 Cb 2.98 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 43.70 2djr h LEU 51 CO -0.06 -0.25 -0.40 -0.50 0.09 0.00 0.00 178.44 177.32 2djr h TRP 52 N -0.72 -1.14 -0.97 1.13 4.06 0.33 0.51 115.95 119.15 2djr h TRP 52 Ca -0.06 0.10 0.33 0.00 2.06 0.00 0.00 58.89 61.32 2djr h TRP 52 Cb 0.52 0.64 -0.18 0.00 -1.00 0.00 0.00 29.16 29.13 2djr h TRP 52 CO -0.02 -0.40 0.25 1.63 -3.56 0.00 0.00 178.44 176.34 2djr n LYS 53 N -5.45 -0.07 -0.03 0.49 5.02 -1.19 0.78 118.16 117.71 2djr n LYS 53 Ca 0.09 1.40 -0.15 0.00 -2.02 0.00 0.00 58.31 57.62 2djr n LYS 53 Cb 0.38 -2.35 -0.09 0.00 -0.02 0.00 0.00 35.03 32.95 2djr n LYS 53 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2djr h HIS 54 N 0.00 0.61 -0.47 2.13 2.76 -0.09 -0.33 115.15 119.75 2djr h HIS 54 Ca 0.70 -0.26 0.03 0.00 -2.20 0.00 0.00 60.37 58.63 2djr h HIS 54 Cb 1.65 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.49 2djr h HIS 54 CO -0.28 1.02 0.31 -0.07 -1.30 0.00 0.00 177.93 177.62 2djr h LEU 55 N 0.03 0.47 -0.14 0.26 3.38 0.12 -0.25 115.31 119.18 2djr h LEU 55 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2djr h LEU 55 Cb 1.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2djr h LEU 55 CO 0.09 0.33 -0.54 0.29 0.09 0.00 0.00 178.44 178.69 2djr n LYS 56 N -4.47 0.21 0.09 1.13 5.02 0.12 -0.05 118.16 120.20 2djr n LYS 56 Ca 0.05 -0.14 -0.20 0.00 -2.02 0.00 0.00 58.31 56.00 2djr n LYS 56 Cb 0.13 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.50 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 0.34 0.54 0.00 4.39 0.87 0.69 -3.36 113.55 117.02 2djr h SER 57 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 2djr h SER 57 Cb 0.51 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2djr h SER 57 CO 0.00 1.57 -0.57 1.15 -0.53 0.00 0.00 176.83 178.46 2djr n MET 58 N -3.55 0.16 -0.44 2.24 0.00 -0.70 -4.75 117.12 110.08 2djr n MET 58 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.52 2djr n MET 58 Cb 1.06 -0.78 0.16 0.00 0.00 0.00 0.00 33.22 33.66 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 -2.01 1.04 -0.34 3.17 8.25 -0.21 -4.41 115.22 120.69 2djr n HIS 59 Ca 0.00 -0.51 0.17 0.00 -0.26 0.00 0.00 57.72 57.12 2djr n HIS 59 Cb 0.28 -0.35 0.39 0.00 1.12 0.00 0.00 29.99 31.43 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 1.46 0.58 -0.24 -0.41 2.43 -0.62 0.11 114.38 117.68 2djr h ARG 60 Ca 0.07 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.03 2djr h ARG 60 Cb 1.32 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2djr h ARG 60 CO 0.29 0.38 -0.52 0.93 -1.51 0.00 0.00 179.97 179.54 2djr h GLU 61 N 0.59 0.77 -0.06 0.20 4.39 -1.84 -2.65 114.58 115.99 2djr h GLU 61 Ca 0.62 -0.51 0.03 0.00 0.34 0.00 0.00 59.36 59.84 2djr h GLU 61 Cb 1.20 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 2djr h GLU 61 CO -0.43 1.14 -0.09 1.49 -1.16 0.00 0.00 179.01 179.95 2djr h GLU 62 N 0.51 -0.12 0.76 2.33 4.22 -1.15 -2.04 114.58 119.08 2djr h GLU 62 Ca 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.41 2djr h GLU 62 Cb 1.13 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.42 2djr h GLU 62 CO 0.11 -0.08 -0.38 -0.07 -2.18 0.00 0.00 179.01 176.41 2djr h LEU 63 N -0.13 -0.91 -0.96 1.64 3.38 -1.28 -2.94 115.31 114.11 2djr h LEU 63 Ca 0.06 0.03 0.24 0.00 0.09 0.00 0.00 57.88 58.30 2djr h LEU 63 Cb 0.21 0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.02 2djr h LEU 63 CO -0.14 -0.63 -0.07 -0.62 0.09 0.00 0.00 178.44 177.07 2djr n GLU 64 N -4.84 -0.08 -0.09 1.13 1.02 -1.00 0.28 120.64 117.07 2djr n GLU 64 Ca -0.13 1.46 -0.07 0.00 -0.02 0.00 0.00 57.16 58.40 2djr n GLU 64 Cb 0.41 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.55 2djr n GLU 64 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2djr h LYS 65 N 0.00 -0.21 0.00 3.49 1.57 -1.20 -3.42 116.57 116.80 2djr h LYS 65 Ca 0.54 0.01 -0.24 0.00 -1.87 0.00 0.00 60.65 59.10 2djr h LYS 65 Cb 1.03 0.05 0.10 0.00 0.08 0.00 0.00 32.23 33.49 2djr h LYS 65 CO -0.93 -0.14 0.17 0.43 -0.57 0.00 0.00 179.45 178.40 2djr n SER 66 N -5.39 -0.65 -1.87 0.86 7.64 0.14 -4.88 113.62 109.48 2djr n SER 66 Ca 0.01 -1.11 -0.09 0.00 1.01 0.00 0.00 58.87 58.69 2djr n SER 66 Cb 0.31 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.63 2.99 2.18 0.23 0.00 -1.26 -4.13 105.19 104.57 2djr n GLY 67 Ca 0.09 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 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 1.94 2.08 -0.06 1.61 8.25 -1.25 -4.90 115.22 122.88 2djr n HIS 68 Ca 0.29 -2.11 -0.12 0.00 -0.26 0.00 0.00 57.72 55.51 2djr n HIS 68 Cb 0.74 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 31.48 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 2.22 -0.74 -5.86 -1.41 0.00 -1.79 -3.41 103.07 92.08 2djr h GLY 69 Ca 0.18 0.57 -0.45 0.00 0.00 0.00 0.00 47.33 47.63 2djr h GLY 69 CO 0.53 -0.19 -0.79 -0.86 0.00 0.00 0.00 176.54 175.22 2djr s GLN 70 N -5.82 1.19 -0.30 4.80 -2.07 -1.26 -4.85 119.66 111.35 2djr s GLN 70 Ca -0.15 -0.28 0.11 0.00 -1.82 0.00 0.00 55.36 53.21 2djr s GLN 70 Cb 0.10 -1.06 0.47 0.00 -1.09 0.00 0.00 33.01 31.42 2djr s GLN 70 CO 0.64 0.02 1.16 0.45 -1.32 0.00 0.00 175.29 176.24 2djr n SER 71 N 3.71 4.03 0.00 12.60 2.88 -1.26 -4.98 113.62 130.59 2djr n SER 71 Ca -0.22 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.00 2djr n SER 71 Cb 0.52 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 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 -0.64 1.46 3.56 0.46 0.00 -1.26 -4.44 105.19 104.32 2djr n GLY 72 Ca 0.34 0.40 -0.39 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.08 2.71 -0.30 1.61 0.04 -1.26 -4.88 135.00 132.84 2djr s PRO 73 Ca 0.00 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 2djr s PRO 73 Cb 0.00 -4.36 0.18 0.00 0.04 0.00 0.00 34.50 30.35 2djr s PRO 73 CO 0.00 -2.63 0.94 0.45 0.04 0.00 0.00 177.00 175.79 2djr s SER 74 N 7.84 -0.69 -0.30 6.66 0.15 -1.26 -5.11 113.70 120.99 2djr s SER 74 Ca 0.68 0.54 -0.34 0.00 0.70 0.00 0.00 55.95 57.53 2djr s SER 74 Cb -0.13 1.62 -0.10 0.00 -1.71 0.00 0.00 66.02 65.69 2djr s SER 74 CO 0.22 -0.13 2.15 -0.24 1.20 0.00 0.00 173.24 176.44 2djr n SER 75 N 5.35 2.46 0.00 5.45 2.88 -1.26 -5.19 113.62 123.31 2djr n SER 75 Ca -0.06 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 2djr n SER 75 Cb 0.53 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2djr n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42