#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 0.33 -4.81 1.61 7.64 -1.26 -5.07 113.62 112.06 2djr n SER 2 Ca 0.00 0.06 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 2djr n SER 2 Cb 0.00 -0.09 0.04 0.00 -1.01 0.00 0.00 64.21 63.15 2djr n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2djr s SER 3 N -5.30 5.46 -0.14 6.43 1.04 -1.26 -5.07 113.70 114.85 2djr s SER 3 Ca 0.00 1.73 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 2djr s SER 3 Cb 0.00 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.64 2djr s SER 3 CO 0.00 -1.39 0.37 -0.83 0.98 0.00 0.00 173.24 172.37 2djr s GLY 4 N -3.31 -0.28 -1.15 7.32 0.00 -1.26 -4.95 107.32 103.69 2djr s GLY 4 Ca 0.61 1.08 -0.09 0.00 0.00 0.00 0.00 44.72 46.32 2djr s GLY 4 CO 0.47 0.98 1.39 1.44 0.00 0.00 0.00 173.10 177.38 2djr n SER 5 N 3.06 5.66 -3.54 1.64 7.64 -1.26 -4.59 113.62 122.24 2djr n SER 5 Ca -0.14 -3.14 -0.21 0.00 1.01 0.00 0.00 58.87 56.38 2djr n SER 5 Cb 0.57 -1.40 0.08 0.00 -1.01 0.00 0.00 64.21 62.45 2djr n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2djr n SER 6 N 3.04 -4.74 0.00 6.43 7.64 -1.26 -4.66 113.62 120.07 2djr n SER 6 Ca 0.29 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.60 2djr n SER 6 Cb 0.38 -5.07 0.00 0.00 -1.01 0.00 0.00 64.21 58.50 2djr n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djr n GLY 7 N -1.68 -1.09 3.49 0.23 0.00 -1.26 -5.01 105.19 99.87 2djr n GLY 7 Ca -0.10 0.48 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -1.39 0.02 1.61 7.64 -1.26 -4.74 113.62 115.50 2djr n SER 8 Ca 0.00 -0.37 0.01 0.00 1.01 0.00 0.00 58.87 59.52 2djr n SER 8 Cb 0.00 -1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 61.83 2djr n SER 8 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2djr n GLU 9 N -3.24 0.63 0.32 1.43 2.13 -1.26 -3.98 120.64 116.67 2djr n GLU 9 Ca 0.06 0.16 0.20 0.00 0.66 0.00 0.00 57.16 58.24 2djr n GLU 9 Cb 0.47 -1.76 1.07 0.00 0.27 0.00 0.00 31.44 31.49 2djr n GLU 9 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djr h ALA 10 N 1.48 1.20 -0.74 4.31 0.00 -1.98 -1.84 119.26 121.69 2djr h ALA 10 Ca -0.17 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.95 2djr h ALA 10 Cb 1.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2djr h ALA 10 CO 0.04 -0.11 0.61 -1.49 0.00 0.00 0.00 179.25 178.29 2djr h TRP 11 N 0.00 0.00 -0.36 0.00 4.06 -1.90 0.25 115.95 118.00 2djr h TRP 11 Ca 0.01 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.06 2djr h TRP 11 Cb 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 2djr h TRP 11 CO 0.00 0.00 0.34 1.05 -3.56 0.00 0.00 178.44 176.27 2djr h GLU 12 N 0.00 0.00 -0.60 0.49 4.11 -1.64 0.47 114.58 117.41 2djr h GLU 12 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 2djr h GLU 12 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 2djr h GLU 12 CO -0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 2djr n TYR 13 N -3.96 1.98 -3.81 2.06 4.02 0.86 -4.86 117.16 113.45 2djr n TYR 13 Ca 0.06 -0.70 -0.10 0.00 -0.01 0.00 0.00 57.90 57.15 2djr n TYR 13 Cb 0.51 -0.47 -0.07 0.00 -0.02 0.00 0.00 39.34 39.29 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 -2.59 0.04 -0.04 -0.72 0.40 0.16 0.17 117.98 115.41 2djr s PHE 14 Ca 0.54 -0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.50 2djr s PHE 14 Cb 0.40 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.97 2djr s PHE 14 CO 0.17 -0.52 0.08 -3.38 0.70 0.00 0.00 175.22 172.27 2djr s HIS 15 N -3.27 -0.05 0.51 0.36 -3.43 0.12 -4.81 115.29 104.71 2djr s HIS 15 Ca 0.00 0.29 -0.22 0.00 -0.80 0.00 0.00 55.06 54.33 2djr s HIS 15 Cb 0.02 -0.19 -0.06 0.00 -1.43 0.00 0.00 32.58 30.92 2djr s HIS 15 CO -0.08 -0.13 1.27 -0.51 -2.00 0.00 0.00 174.74 173.29 2djr s LEU 16 N 1.21 3.92 -0.02 5.38 1.43 -1.26 -0.59 118.68 128.75 2djr s LEU 16 Ca -0.08 2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 2djr s LEU 16 Cb -0.12 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 2djr s LEU 16 CO -0.04 -1.27 0.47 0.00 0.23 0.00 0.00 176.35 175.74 2djr s ALA 17 N -1.41 3.60 0.66 4.21 0.00 -1.20 -4.88 121.76 122.73 2djr s ALA 17 Ca 0.68 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.34 2djr s ALA 17 Cb -0.35 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2djr s ALA 17 CO 0.42 0.30 1.11 -1.25 0.00 0.00 0.00 175.76 176.34 2djr s PRO 18 N -0.51 2.79 -0.73 0.00 0.04 -1.26 -3.97 135.00 131.35 2djr s PRO 18 Ca 0.26 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 2djr s PRO 18 Cb -0.17 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.53 2djr s PRO 18 CO 0.14 -1.25 0.91 0.00 0.04 0.00 0.00 177.00 176.84 2djr s ALA 19 N -2.35 3.36 -0.72 8.56 0.00 -1.26 -4.86 121.76 124.49 2djr s ALA 19 Ca 0.67 -2.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.03 2djr s ALA 19 Cb -0.20 -3.78 -0.18 0.00 0.00 0.00 0.00 23.12 18.96 2djr s ALA 19 CO 0.42 -2.66 1.90 0.54 0.00 0.00 0.00 175.76 175.95 2djr n ARG 20 N 6.62 1.37 -4.23 0.00 1.74 -1.26 -4.34 116.66 116.56 2djr n ARG 20 Ca 0.04 -1.79 -0.35 0.00 -0.77 0.00 0.00 57.85 54.97 2djr n ARG 20 Cb 0.46 -2.91 -0.08 0.00 -1.02 0.00 0.00 32.46 28.90 2djr n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2djr n ALA 21 N 7.91 -1.39 -1.31 7.54 0.00 -1.26 -4.49 120.51 127.52 2djr n ALA 21 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2djr n ALA 21 Cb 0.41 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.51 -1.17 3.60 0.00 0.00 -1.26 -5.09 105.19 99.75 2djr n GLY 22 Ca -0.03 0.59 -0.44 0.00 0.00 0.00 0.00 46.02 46.14 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 2.04 -1.44 1.61 8.25 -1.26 -4.87 115.22 119.55 2djr n HIS 23 Ca 0.00 -0.12 -0.47 0.00 -0.26 0.00 0.00 57.72 56.87 2djr n HIS 23 Cb 0.00 -2.72 -0.02 0.00 1.12 0.00 0.00 29.99 28.37 2djr n HIS 23 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2djr n HIS 24 N 10.57 -0.21 -1.08 4.41 -0.00 -1.26 -4.37 115.22 123.29 2djr n HIS 24 Ca 0.29 0.87 -0.30 0.00 -0.00 0.00 0.00 57.72 58.58 2djr n HIS 24 Cb 0.41 -2.01 0.24 0.00 -0.00 0.00 0.00 29.99 28.63 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 -1.15 -1.35 -1.45 1.57 0.04 -1.26 -4.00 135.00 127.39 2djr s PRO 25 Ca 0.62 -0.11 -0.13 0.00 0.04 0.00 0.00 61.00 61.42 2djr s PRO 25 Cb -0.84 -1.59 0.10 0.00 0.04 0.00 0.00 34.50 32.21 2djr s PRO 25 CO 0.57 -3.78 0.67 0.09 0.04 0.00 0.00 177.00 174.59 2djr n ASN 26 N -4.80 -3.85 0.00 6.66 4.13 -1.26 -4.88 115.26 111.26 2djr n ASN 26 Ca 0.14 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.76 2djr n ASN 26 Cb 0.60 -3.15 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 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 -4.10 0.00 -4.35 3.52 -0.06 -1.26 -4.98 117.38 106.15 2djr n GLN 27 Ca 0.02 0.20 -0.24 0.00 -2.00 0.00 0.00 57.00 54.98 2djr n GLN 27 Cb 0.52 -0.67 -0.08 0.00 -4.06 0.00 0.00 30.24 25.95 2djr n GLN 27 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 2djr s TYR 28 N -0.90 2.54 -0.05 3.69 1.51 -1.26 -4.46 117.35 118.42 2djr s TYR 28 Ca 0.00 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 2djr s TYR 28 Cb 0.00 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 2djr s TYR 28 CO 0.00 0.57 -0.13 0.00 -1.11 0.00 0.00 175.55 174.88 2djr s ALA 29 N -2.46 2.73 -0.30 3.71 0.00 -0.76 -3.27 121.76 121.41 2djr s ALA 29 Ca 0.33 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 2djr s ALA 29 Cb -0.03 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2djr s ALA 29 CO 0.19 0.56 0.15 0.99 0.00 0.00 0.00 175.76 177.65 2djr s THR 30 N -0.76 4.74 0.02 0.00 2.01 0.25 -0.29 115.64 121.62 2djr s THR 30 Ca 0.12 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.56 2djr s THR 30 Cb -0.11 -3.36 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 2djr s THR 30 CO 0.01 0.14 1.76 0.00 -0.69 0.00 0.00 174.62 175.84 2djr n ARG 32 N 6.70 0.68 -0.09 0.00 1.74 0.13 -0.74 116.66 125.07 2djr n ARG 32 Ca 0.18 -0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 57.01 2djr n ARG 32 Cb 0.41 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.28 2djr n ARG 32 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2djr h LEU 33 N 0.25 0.00 0.00 0.55 3.38 -1.89 -3.44 115.31 114.15 2djr h LEU 33 Ca 0.00 -0.31 -0.28 0.00 0.09 0.00 0.00 57.88 57.38 2djr h LEU 33 Cb 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2djr h LEU 33 CO 0.00 1.20 -2.03 0.00 0.09 0.00 0.00 178.44 177.70 2djr n GLY 35 N 2.44 1.80 3.99 0.00 0.00 0.08 -5.04 105.19 108.47 2djr n GLY 35 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.29 2.25 -0.18 1.61 0.52 -1.25 -4.73 118.95 116.88 2djr s ARG 36 Ca 0.00 -1.06 -0.04 0.00 -0.52 0.00 0.00 55.73 54.11 2djr s ARG 36 Cb 0.00 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 2djr s ARG 36 CO 0.00 -0.93 -0.02 -0.65 0.02 0.00 0.00 175.30 173.72 2djr s GLN 37 N -4.83 3.63 -0.17 3.54 -1.52 -1.26 -0.46 119.66 118.58 2djr s GLN 37 Ca 0.61 -0.53 -0.03 0.00 -1.95 0.00 0.00 55.36 53.46 2djr s GLN 37 Cb -0.08 -3.01 0.05 0.00 -0.22 0.00 0.00 33.01 29.76 2djr s GLN 37 CO 0.40 0.10 0.03 0.08 -0.25 0.00 0.00 175.29 175.65 2djr s VAL 38 N 0.76 0.44 0.32 1.09 1.01 0.61 -4.94 120.40 119.68 2djr s VAL 38 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2djr s VAL 38 Cb -0.14 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 2djr s VAL 38 CO 0.02 -0.14 0.63 -0.94 0.00 0.00 0.00 175.10 174.68 2djr s SER 39 N 1.90 6.53 -0.13 3.32 1.04 -1.26 -1.84 113.70 123.27 2djr s SER 39 Ca 0.00 0.93 -0.04 0.00 0.48 0.00 0.00 55.95 57.32 2djr s SER 39 Cb -0.16 -2.23 -0.06 0.00 0.10 0.00 0.00 66.02 63.66 2djr s SER 39 CO -0.08 -0.24 -0.15 -2.11 0.98 0.00 0.00 173.24 171.65 2djr n ARG 40 N -0.86 0.28 0.00 4.02 1.85 -1.26 -4.84 116.66 115.85 2djr n ARG 40 Ca 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 2djr n ARG 40 Cb 0.54 -1.05 0.00 0.00 -1.05 0.00 0.00 32.46 30.89 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 2.44 2.42 0.00 2.89 0.00 -1.26 -4.27 105.19 107.40 2djr n GLY 41 Ca -0.24 -2.09 0.08 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.35 0.47 0.00 1.61 -0.04 -1.26 -4.37 135.00 131.06 2djr n PRO 42 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2djr n PRO 42 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.03 -0.36 2.75 0.55 0.00 -1.26 -5.00 105.19 101.83 2djr n GLY 43 Ca 0.11 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.50 -0.29 -2.64 1.61 3.14 -1.26 -4.80 118.33 111.58 2djr n VAL 44 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2djr n VAL 44 Cb 0.00 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 2djr n VAL 44 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2djr n ASN 45 N -1.76 4.98 0.00 6.55 4.05 -1.26 -4.38 115.26 123.44 2djr n ASN 45 Ca -0.03 -2.94 0.00 0.00 0.45 0.00 0.00 54.58 52.06 2djr n ASN 45 Cb 0.53 -1.70 0.00 0.00 1.23 0.00 0.00 39.78 39.85 2djr n ASN 45 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2djr n VAL 46 N 5.85 0.00 0.00 3.44 0.24 -1.26 -5.10 118.33 121.49 2djr n VAL 46 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 2djr n VAL 46 Cb 0.45 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 2djr n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2djr n GLY 47 N 2.58 1.06 3.54 7.63 0.00 -1.26 -5.05 105.19 113.68 2djr n GLY 47 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 4.20 -0.02 2.61 2.01 -1.26 -4.84 115.64 118.34 2djr s THR 48 Ca 0.00 -1.36 -0.33 0.00 0.31 0.00 0.00 61.69 60.31 2djr s THR 48 Cb 0.00 -5.04 -0.17 0.00 0.01 0.00 0.00 72.50 67.31 2djr s THR 48 CO 0.00 -1.86 0.90 0.41 -0.69 0.00 0.00 174.62 173.38 2djr n THR 49 N 6.34 0.00 -0.36 -0.82 -1.04 -1.26 -4.57 114.28 112.57 2djr n THR 49 Ca 0.36 0.00 0.31 0.00 -2.04 0.00 0.00 64.05 62.68 2djr n THR 49 Cb 0.49 -0.02 0.52 0.00 -1.82 0.00 0.00 70.33 69.50 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 1.33 1.04 0.17 2.41 0.00 -1.26 0.10 120.51 124.30 2djr n ALA 50 Ca 0.17 0.69 -0.14 0.00 0.00 0.00 0.00 53.44 54.16 2djr n ALA 50 Cb 0.06 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.68 -0.53 0.00 3.38 -1.89 -2.84 115.31 112.75 2djr h LEU 51 Ca 0.69 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.82 2djr h LEU 51 Cb 2.17 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 43.05 2djr h LEU 51 CO -0.39 -0.37 -0.32 -0.50 0.09 0.00 0.00 178.44 176.96 2djr h TRP 52 N -0.53 -0.89 -0.88 1.13 4.06 0.40 0.13 115.95 119.37 2djr h TRP 52 Ca -0.00 0.07 0.24 0.00 2.06 0.00 0.00 58.89 61.25 2djr h TRP 52 Cb 0.50 0.47 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 2djr h TRP 52 CO -0.17 -0.38 0.27 0.87 -3.56 0.00 0.00 178.44 175.47 2djr h LYS 53 N -0.18 0.23 -0.31 0.49 1.57 -1.46 0.33 116.57 117.24 2djr h LYS 53 Ca 0.22 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2djr h LYS 53 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2djr h LYS 53 CO -0.63 0.15 -0.13 1.25 -0.57 0.00 0.00 179.45 179.53 2djr h HIS 54 N 0.24 0.72 -0.24 -1.35 2.76 -0.63 -0.47 115.15 116.18 2djr h HIS 54 Ca 0.56 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2djr h HIS 54 Cb 1.13 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2djr h HIS 54 CO -0.24 0.84 0.15 -0.07 -1.30 0.00 0.00 177.93 177.31 2djr h LEU 55 N 0.39 0.28 0.00 0.26 3.38 0.91 -1.35 115.31 119.18 2djr h LEU 55 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2djr h LEU 55 Cb 0.64 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2djr h LEU 55 CO 0.04 0.23 0.00 0.29 0.09 0.00 0.00 178.44 179.09 2djr n LYS 56 N -4.90 0.02 0.09 1.13 5.02 0.86 0.24 118.16 120.61 2djr n LYS 56 Ca -0.03 0.10 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 2djr n LYS 56 Cb 0.04 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 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 0.65 0.00 4.39 0.87 -0.06 -3.36 113.55 116.05 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 0.39 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2djr h SER 57 CO 0.00 1.75 -0.65 1.15 -0.53 0.00 0.00 176.83 178.55 2djr n MET 58 N -3.61 1.37 -0.59 2.24 0.00 -0.61 -4.73 117.12 111.19 2djr n MET 58 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.51 2djr n MET 58 Cb 1.08 -0.83 0.26 0.00 0.00 0.00 0.00 33.22 33.74 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 -1.80 1.37 -0.34 3.17 8.25 0.64 -4.46 115.22 122.05 2djr n HIS 59 Ca 0.00 -0.49 0.24 0.00 -0.26 0.00 0.00 57.72 57.21 2djr n HIS 59 Cb 0.33 -0.38 0.51 0.00 1.12 0.00 0.00 29.99 31.57 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 2.56 0.36 -0.08 -0.41 2.43 0.37 0.82 114.38 120.43 2djr h ARG 60 Ca 0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 2djr h ARG 60 Cb 1.48 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2djr h ARG 60 CO 0.33 0.24 -0.18 0.93 -1.51 0.00 0.00 179.97 179.78 2djr h GLU 61 N 0.37 0.26 -0.53 0.20 4.39 -1.84 -2.04 114.58 115.39 2djr h GLU 61 Ca 0.63 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 60.27 2djr h GLU 61 Cb 1.62 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.26 2djr h GLU 61 CO -0.34 0.77 0.37 0.93 -1.16 0.00 0.00 179.01 179.57 2djr h GLU 62 N -0.22 0.24 0.09 2.33 3.07 -1.22 0.14 114.58 119.02 2djr h GLU 62 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2djr h GLU 62 Cb 0.77 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2djr h GLU 62 CO 0.04 0.16 -0.05 -0.07 -1.40 0.00 0.00 179.01 177.69 2djr h LEU 63 N 0.25 -0.11 -0.06 1.33 3.38 -1.17 -3.22 115.31 115.71 2djr h LEU 63 Ca 0.25 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2djr h LEU 63 Cb 0.66 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2djr h LEU 63 CO -0.05 0.53 -0.14 -0.33 0.09 0.00 0.00 178.44 178.54 2djr h GLU 64 N -0.95 -0.20 -1.18 1.13 4.39 -1.02 0.39 114.58 117.13 2djr h GLU 64 Ca -0.01 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.04 2djr h GLU 64 Cb 0.49 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.12 2djr h GLU 64 CO 0.02 -0.14 0.82 1.57 -1.16 0.00 0.00 179.01 180.13 2djr h LYS 65 N -0.21 0.11 0.00 2.33 2.10 -0.87 -3.03 116.57 117.00 2djr h LYS 65 Ca 0.07 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2djr h LYS 65 Cb 0.31 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2djr h LYS 65 CO -0.18 0.07 -0.03 0.45 -2.00 0.00 0.00 179.45 177.76 2djr n SER 66 N -4.33 0.12 0.00 7.07 2.88 -0.43 -5.05 113.62 113.88 2djr n SER 66 Ca 0.27 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 2djr n SER 66 Cb 1.19 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 2djr n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djr n GLY 67 N 1.74 0.00 2.02 0.46 0.00 0.12 -5.06 105.19 104.47 2djr n GLY 67 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 2.56 -0.06 1.61 8.25 -0.90 -4.81 115.22 121.87 2djr n HIS 68 Ca 0.00 -2.19 -0.05 0.00 -0.26 0.00 0.00 57.72 55.22 2djr n HIS 68 Cb 0.00 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 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 2.16 0.00 -7.69 -1.41 0.00 -1.91 -3.41 103.07 90.81 2djr h GLY 69 Ca 0.33 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.94 2djr h GLY 69 CO 0.70 0.00 1.41 1.20 0.00 0.00 0.00 176.54 179.85 2djr s GLN 70 N -1.88 4.01 -0.21 4.80 -1.52 -1.26 -4.65 119.66 118.94 2djr s GLN 70 Ca -0.09 -2.38 -0.04 0.00 -1.95 0.00 0.00 55.36 50.90 2djr s GLN 70 Cb 0.00 -5.11 -0.12 0.00 -0.22 0.00 0.00 33.01 27.56 2djr s GLN 70 CO 0.23 -1.84 -0.23 -1.13 -0.25 0.00 0.00 175.29 172.07 2djr n SER 71 N 6.18 2.01 -4.70 5.90 3.41 -1.26 -4.96 113.62 120.21 2djr n SER 71 Ca 0.37 0.06 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 2djr n SER 71 Cb 0.44 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2djr n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2djr s GLY 72 N -5.73 1.85 0.02 5.00 0.00 -1.26 -4.94 107.32 102.26 2djr s GLY 72 Ca -0.29 0.99 -0.22 0.00 0.00 0.00 0.00 44.72 45.20 2djr s GLY 72 CO 0.44 2.52 1.32 -0.56 0.00 0.00 0.00 173.10 176.81 2djr h PRO 73 N 7.62 0.24 -7.09 2.90 0.13 -1.97 -3.45 132.00 130.38 2djr h PRO 73 Ca -0.40 -0.13 -0.45 0.00 -0.87 0.00 0.00 66.00 64.15 2djr h PRO 73 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2djr h PRO 73 CO 0.90 0.66 0.36 0.45 -0.23 0.00 0.00 178.00 180.13 2djr s SER 74 N -5.98 6.70 -0.54 1.44 0.15 -1.26 -5.04 113.70 109.17 2djr s SER 74 Ca -0.15 1.72 0.04 0.00 0.70 0.00 0.00 55.95 58.27 2djr s SER 74 Cb 0.04 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2djr s SER 74 CO 0.73 -0.53 0.32 -0.44 1.20 0.00 0.00 173.24 174.52 2djr s SER 75 N -2.32 4.15 0.00 5.45 0.01 -1.26 -5.13 113.70 114.59 2djr s SER 75 Ca 0.63 -3.15 0.00 0.00 1.31 0.00 0.00 55.95 54.74 2djr s SER 75 Cb -0.11 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.68 2djr s SER 75 CO 0.19 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.25