#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djr s PRO 2 N 0.00 1.50 0.00 0.00 0.02 -1.26 -4.96 135.00 130.30 1djr s PRO 2 Ca 0.00 1.59 0.07 0.00 0.02 0.00 0.00 61.00 62.68 1djr s PRO 2 Cb 0.00 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 1djr s PRO 2 CO 0.00 -2.28 0.34 1.04 -0.33 0.00 0.00 177.00 175.77 1djr n GLN 3 N -3.68 4.26 -4.04 5.54 6.02 -1.26 -4.99 117.38 119.23 1djr n GLN 3 Ca 0.12 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 1djr n GLN 3 Cb 0.51 -0.87 -0.09 0.00 1.02 0.00 0.00 30.24 30.82 1djr n GLN 3 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1djr s THR 4 N -1.60 0.20 0.30 5.09 -4.23 -1.26 -5.05 115.64 109.10 1djr s THR 4 Ca 0.03 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.86 1djr s THR 4 Cb 0.06 -1.48 0.23 0.00 1.34 0.00 0.00 72.50 72.64 1djr s THR 4 CO 0.28 -0.93 1.93 -0.29 -0.54 0.00 0.00 174.62 175.07 1djr h ILE 5 N 3.07 1.21 -0.34 2.99 2.10 -1.96 -1.72 117.51 122.85 1djr h ILE 5 Ca -0.34 -0.51 -0.17 0.00 1.08 0.00 0.00 64.86 64.92 1djr h ILE 5 Cb 1.15 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1djr h ILE 5 CO 0.64 0.23 -0.45 0.74 -1.08 0.00 0.00 178.15 178.23 1djr h THR 6 N 0.96 1.27 -0.38 2.19 2.02 -1.98 -0.00 112.91 116.98 1djr h THR 6 Ca 0.24 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1djr h THR 6 Cb 0.02 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1djr h THR 6 CO -0.04 0.54 0.25 -0.08 0.37 0.00 0.00 175.52 176.56 1djr h GLU 7 N 0.72 0.50 -0.16 6.66 4.81 -1.93 -1.59 114.58 123.60 1djr h GLU 7 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1djr h GLU 7 Cb 1.05 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1djr h GLU 7 CO 0.11 0.34 0.08 1.25 -0.73 0.00 0.00 179.01 180.06 1djr h LEU 8 N 0.51 0.21 -1.22 1.64 6.46 -1.13 -2.94 115.31 118.83 1djr h LEU 8 Ca 0.14 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1djr h LEU 8 Cb -0.04 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.79 1djr h LEU 8 CO -0.03 0.26 0.53 0.00 -0.62 0.00 0.00 178.44 178.59 1djr n SER 10 N -4.43 0.00 -0.01 0.00 7.64 -0.61 -1.97 113.62 114.24 1djr n SER 10 Ca 0.10 0.38 0.15 0.00 1.01 0.00 0.00 58.87 60.51 1djr n SER 10 Cb 0.07 -0.43 0.73 0.00 -1.01 0.00 0.00 64.21 63.56 1djr n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1djr n GLU 11 N -1.43 0.42 -4.88 1.43 1.02 -0.53 -4.83 120.64 111.84 1djr n GLU 11 Ca 0.04 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1djr n GLU 11 Cb 0.12 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.90 1djr n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1djr s TYR 12 N -2.60 2.21 0.62 -0.32 1.51 -0.83 -5.14 117.35 112.80 1djr s TYR 12 Ca 0.27 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.86 1djr s TYR 12 Cb 0.20 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.74 1djr s TYR 12 CO 0.47 0.11 0.94 1.03 -1.11 0.00 0.00 175.55 176.99 1djr s ARG 13 N -1.19 2.81 -1.34 -0.62 1.81 -1.26 -4.15 118.95 115.01 1djr s ARG 13 Ca 0.11 0.01 -0.09 0.00 -1.72 0.00 0.00 55.73 54.03 1djr s ARG 13 Cb -0.10 -2.23 0.07 0.00 -0.45 0.00 0.00 34.95 32.24 1djr s ARG 13 CO 0.02 -0.81 0.54 0.09 -0.68 0.00 0.00 175.30 174.45 1djr n ASN 14 N -2.68 -4.04 -4.51 0.23 3.02 -1.26 -4.97 115.26 101.06 1djr n ASN 14 Ca 0.05 -0.42 -0.25 0.00 -0.03 0.00 0.00 54.58 53.93 1djr n ASN 14 Cb 0.58 -3.32 -0.10 0.00 -0.61 0.00 0.00 39.78 36.33 1djr n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1djr s THR 15 N -2.99 2.45 0.14 3.41 -4.23 -1.26 -0.51 115.64 112.65 1djr s THR 15 Ca 0.42 -2.31 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 1djr s THR 15 Cb -0.22 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.20 1djr s THR 15 CO 0.51 -0.33 0.39 0.00 -0.54 0.00 0.00 174.62 174.65 1djr s GLN 16 N -3.55 1.13 -0.18 3.99 -2.07 -0.44 -4.89 119.66 113.64 1djr s GLN 16 Ca 0.31 -0.85 -0.16 0.00 -1.82 0.00 0.00 55.36 52.84 1djr s GLN 16 Cb -0.03 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1djr s GLN 16 CO 0.16 -0.44 0.39 0.42 -1.32 0.00 0.00 175.29 174.50 1djr s ILE 17 N -3.85 5.21 -0.21 3.63 -1.09 -1.26 -1.25 121.20 122.38 1djr s ILE 17 Ca 0.07 0.71 -0.10 0.00 -2.23 0.00 0.00 60.65 59.10 1djr s ILE 17 Cb 0.02 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 1djr s ILE 17 CO -0.08 0.28 0.15 -0.31 -1.23 0.00 0.00 174.94 173.75 1djr s TYR 18 N 1.09 3.38 -0.57 3.97 1.51 -0.01 -4.98 117.35 121.74 1djr s TYR 18 Ca 0.20 0.31 -0.20 0.00 -1.01 0.00 0.00 57.07 56.36 1djr s TYR 18 Cb -0.14 -2.21 0.07 0.00 -0.11 0.00 0.00 41.96 39.57 1djr s TYR 18 CO 0.08 0.21 0.75 0.99 -1.11 0.00 0.00 175.55 176.47 1djr s THR 19 N 0.60 4.69 -0.17 -0.71 2.01 -1.26 -1.35 115.64 119.44 1djr s THR 19 Ca 0.08 -0.53 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1djr s THR 19 Cb -0.12 -4.46 -0.23 0.00 0.01 0.00 0.00 72.50 67.70 1djr s THR 19 CO 0.00 -1.07 0.47 0.40 -0.69 0.00 0.00 174.62 173.73 1djr h ILE 20 N 5.92 1.28 -6.86 1.82 1.08 -0.82 -3.49 117.51 116.45 1djr h ILE 20 Ca -0.28 -2.27 -0.57 0.00 -0.39 0.00 0.00 64.86 61.35 1djr h ILE 20 Cb 1.09 2.74 -0.12 0.00 -3.07 0.00 0.00 36.82 37.45 1djr h ILE 20 CO 1.06 0.46 -0.95 -3.20 -0.69 0.00 0.00 178.15 174.84 1djr n ASN 21 N -4.46 -0.44 -3.46 1.72 5.15 -0.35 -4.94 115.26 108.48 1djr n ASN 21 Ca -0.23 -1.19 -0.11 0.00 -0.60 0.00 0.00 54.58 52.45 1djr n ASN 21 Cb 0.62 -2.10 -0.02 0.00 -0.53 0.00 0.00 39.78 37.75 1djr n ASN 21 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1djr s ASP 22 N -4.22 -0.49 0.60 1.20 2.15 -0.75 -4.93 116.67 110.23 1djr s ASP 22 Ca 0.10 -0.02 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 1djr s ASP 22 Cb -0.05 0.53 -0.05 0.00 -0.30 0.00 0.00 42.92 43.06 1djr s ASP 22 CO 0.96 -0.86 1.01 -1.59 -0.17 0.00 0.00 175.17 174.52 1djr s LYS 23 N -3.54 3.65 0.23 4.34 -2.85 -1.26 -0.71 119.74 119.60 1djr s LYS 23 Ca 0.03 0.76 -0.30 0.00 -1.00 0.00 0.00 55.97 55.46 1djr s LYS 23 Cb -0.01 -2.10 -0.09 0.00 -2.06 0.00 0.00 37.83 33.57 1djr s LYS 23 CO -0.11 -0.51 1.29 0.42 0.10 0.00 0.00 175.35 176.53 1djr s ILE 24 N -3.08 3.15 -0.14 3.79 1.01 -1.26 -4.74 121.20 119.93 1djr s ILE 24 Ca 0.55 1.00 -0.21 0.00 0.00 0.00 0.00 60.65 61.99 1djr s ILE 24 Cb -0.11 -3.64 -0.25 0.00 0.01 0.00 0.00 42.46 38.48 1djr s ILE 24 CO 0.50 0.17 0.51 0.25 0.00 0.00 0.00 174.94 176.38 1djr h LEU 25 N 4.88 0.18 -7.95 2.97 5.85 -1.15 -3.48 115.31 116.61 1djr h LEU 25 Ca -0.46 -0.79 -0.21 0.00 0.84 0.00 0.00 57.88 57.27 1djr h LEU 25 Cb 1.22 -0.06 -0.23 0.00 0.37 0.00 0.00 40.66 41.96 1djr h LEU 25 CO 0.74 1.43 -0.71 -0.94 -0.34 0.00 0.00 178.44 178.62 1djr s SER 26 N -6.79 0.29 -0.08 1.25 1.04 -0.90 -4.98 113.70 103.53 1djr s SER 26 Ca -0.22 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 55.87 1djr s SER 26 Cb 0.03 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1djr s SER 26 CO 0.70 -0.20 -0.22 -0.47 0.98 0.00 0.00 173.24 174.03 1djr s TYR 27 N -1.06 2.29 -0.05 5.02 6.14 -1.26 -1.53 117.35 126.90 1djr s TYR 27 Ca -0.11 -0.87 0.02 0.00 0.64 0.00 0.00 57.07 56.76 1djr s TYR 27 Cb -0.07 -1.54 0.01 0.00 0.42 0.00 0.00 41.96 40.77 1djr s TYR 27 CO -0.01 -0.34 -0.11 0.99 0.64 0.00 0.00 175.55 176.72 1djr s THR 28 N 0.29 1.02 -0.04 4.34 2.01 -0.06 -5.01 115.64 118.19 1djr s THR 28 Ca -0.15 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1djr s THR 28 Cb -0.16 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.44 1djr s THR 28 CO 0.07 0.32 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.55 1djr s GLU 29 N 0.49 0.97 -0.04 4.92 2.12 -1.26 -0.85 118.70 125.06 1djr s GLU 29 Ca -0.10 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.08 1djr s GLU 29 Cb -0.13 -0.91 -0.00 0.00 0.26 0.00 0.00 34.13 33.34 1djr s GLU 29 CO 0.02 -0.02 -0.16 0.45 -0.54 0.00 0.00 175.26 175.02 1djr s SER 30 N 0.70 1.96 -0.05 -1.70 0.15 -0.29 -5.00 113.70 109.47 1djr s SER 30 Ca -0.10 -0.32 0.13 0.00 0.70 0.00 0.00 55.95 56.36 1djr s SER 30 Cb -0.13 -0.51 0.40 0.00 -1.71 0.00 0.00 66.02 64.06 1djr s SER 30 CO 0.01 0.14 1.33 1.15 1.20 0.00 0.00 173.24 177.07 1djr n MET 31 N 3.13 2.94 -2.24 5.44 0.00 -1.26 -2.38 117.12 122.75 1djr n MET 31 Ca -0.18 -2.32 -0.39 0.00 0.00 0.00 0.00 57.70 54.81 1djr n MET 31 Cb 0.53 -1.46 -0.02 0.00 0.00 0.00 0.00 33.22 32.27 1djr n MET 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1djr s ALA 32 N -1.49 3.31 0.20 3.17 0.00 -1.26 -4.85 121.76 120.84 1djr s ALA 32 Ca 0.30 1.08 -0.32 0.00 0.00 0.00 0.00 51.96 53.03 1djr s ALA 32 Cb 0.19 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.78 1djr s ALA 32 CO 0.15 -0.54 1.69 0.20 0.00 0.00 0.00 175.76 177.25 1djr s GLY 33 N -0.85 1.33 0.00 0.00 0.00 -1.26 -1.00 107.32 105.55 1djr s GLY 33 Ca 0.53 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.79 1djr s GLY 33 CO 0.45 2.81 0.00 0.28 0.00 0.00 0.00 173.10 176.64 1djr n LYS 34 N 3.87 -0.24 -2.59 2.90 4.76 -1.26 -4.84 118.16 120.76 1djr n LYS 34 Ca 0.15 0.06 -0.08 0.00 -2.87 0.00 0.00 58.31 55.57 1djr n LYS 34 Cb 0.36 -3.35 0.04 0.00 -1.84 0.00 0.00 35.03 30.24 1djr n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1djr n ARG 35 N -1.88 2.28 -2.57 1.97 5.12 -0.17 -4.98 116.66 116.44 1djr n ARG 35 Ca 0.00 -3.71 -0.41 0.00 -1.93 0.00 0.00 57.85 51.80 1djr n ARG 35 Cb 0.06 -1.80 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1djr n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1djr s GLU 36 N -3.72 3.59 0.25 5.56 8.01 -1.14 -4.29 118.70 126.96 1djr s GLU 36 Ca 0.34 -1.12 -0.18 0.00 0.01 0.00 0.00 54.97 54.02 1djr s GLU 36 Cb 0.35 -5.34 0.01 0.00 -4.31 0.00 0.00 34.13 24.84 1djr s GLU 36 CO -0.02 -2.20 0.61 0.00 0.01 0.00 0.00 175.26 173.66 1djr s MET 37 N 4.95 1.64 -0.02 1.61 0.23 -1.00 -4.20 119.30 122.51 1djr s MET 37 Ca 0.46 -1.05 0.06 0.00 -1.03 0.00 0.00 55.69 54.13 1djr s MET 37 Cb -0.00 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.83 1djr s MET 37 CO -0.10 -0.72 -0.20 0.08 -2.03 0.00 0.00 175.02 172.05 1djr s VAL 38 N -3.94 1.60 -0.06 5.16 1.01 -1.24 -1.14 120.40 121.80 1djr s VAL 38 Ca 0.14 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1djr s VAL 38 Cb -0.03 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1djr s VAL 38 CO 0.06 0.45 -0.15 -0.63 0.00 0.00 0.00 175.10 174.83 1djr s ILE 39 N -0.46 1.30 0.09 2.22 1.01 -0.03 -1.45 121.20 123.89 1djr s ILE 39 Ca 0.07 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.21 1djr s ILE 39 Cb -0.08 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 1djr s ILE 39 CO -0.01 0.39 -0.25 0.27 0.00 0.00 0.00 174.94 175.34 1djr s ILE 40 N 0.35 2.05 0.11 2.92 -4.36 -0.34 -0.88 121.20 121.06 1djr s ILE 40 Ca -0.10 -1.56 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 1djr s ILE 40 Cb -0.14 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.73 1djr s ILE 40 CO 0.03 0.15 -0.09 0.42 0.24 0.00 0.00 174.94 175.69 1djr s THR 41 N -0.98 0.95 0.31 8.37 -4.23 -0.59 -1.09 115.64 118.39 1djr s THR 41 Ca 0.11 -1.84 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1djr s THR 41 Cb -0.10 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 1djr s THR 41 CO 0.04 -0.69 -0.08 -0.36 -0.54 0.00 0.00 174.62 172.99 1djr s PHE 42 N -2.99 2.47 -0.25 3.99 0.08 -0.58 -0.55 117.98 120.14 1djr s PHE 42 Ca 0.10 -0.37 0.24 0.00 0.12 0.00 0.00 56.93 57.02 1djr s PHE 42 Cb 0.01 -1.26 1.16 0.00 -0.57 0.00 0.00 43.02 42.37 1djr s PHE 42 CO -0.01 0.60 1.72 1.57 -0.10 0.00 0.00 175.22 179.00 1djr h LYS 43 N 2.01 0.00 0.00 0.44 2.10 -1.89 0.75 116.57 119.97 1djr h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1djr h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1djr h LYS 43 CO 0.64 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.96 1djr n SER 44 N -2.31 0.11 0.00 7.07 3.41 -1.26 -4.87 113.62 115.77 1djr n SER 44 Ca -0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1djr n SER 44 Cb 0.11 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1djr n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1djr n GLY 45 N -0.40 1.63 3.75 5.00 0.00 0.26 -5.04 105.19 110.39 1djr n GLY 45 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1djr n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1djr s GLU 46 N -0.52 4.47 -0.04 1.61 2.02 -1.26 -4.80 118.70 120.18 1djr s GLU 46 Ca 0.00 1.99 0.04 0.00 0.02 0.00 0.00 54.97 57.02 1djr s GLU 46 Cb 0.00 -3.17 -0.00 0.00 0.10 0.00 0.00 34.13 31.06 1djr s GLU 46 CO 0.00 -0.07 -0.16 0.99 0.02 0.00 0.00 175.26 176.04 1djr s THR 47 N -0.62 1.31 0.05 3.63 2.01 -1.26 -1.53 115.64 119.22 1djr s THR 47 Ca 0.50 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1djr s THR 47 Cb -0.35 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1djr s THR 47 CO 0.43 0.38 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.32 1djr s PHE 48 N 0.09 0.56 0.19 4.92 0.08 -0.25 -3.91 117.98 119.67 1djr s PHE 48 Ca -0.04 -0.67 0.10 0.00 0.12 0.00 0.00 56.93 56.44 1djr s PHE 48 Cb -0.11 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1djr s PHE 48 CO 0.02 -0.17 -0.21 1.14 -0.10 0.00 0.00 175.22 175.90 1djr s GLN 49 N -2.32 1.43 -0.30 0.44 -2.07 -0.25 -1.20 119.66 115.39 1djr s GLN 49 Ca -0.05 -1.51 -0.14 0.00 -1.82 0.00 0.00 55.36 51.84 1djr s GLN 49 Cb -0.04 -1.61 -0.03 0.00 -1.09 0.00 0.00 33.01 30.24 1djr s GLN 49 CO -0.03 0.33 0.30 0.08 -1.32 0.00 0.00 175.29 174.66 1djr s VAL 50 N -1.95 5.23 0.66 3.63 1.01 -0.53 -0.82 120.40 127.63 1djr s VAL 50 Ca 0.20 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1djr s VAL 50 Cb -0.07 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1djr s VAL 50 CO 0.09 0.09 1.21 -1.61 0.00 0.00 0.00 175.10 174.87 1djr s GLU 51 N 1.92 2.56 0.27 2.72 2.02 -1.26 -3.61 118.70 123.32 1djr s GLU 51 Ca 0.10 1.78 -0.30 0.00 0.02 0.00 0.00 54.97 56.57 1djr s GLU 51 Cb -0.16 -1.88 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 1djr s GLU 51 CO 0.11 -1.52 1.62 0.28 0.02 0.00 0.00 175.26 175.77 1djr n VAL 52 N -2.18 0.82 -1.75 2.63 0.31 -1.26 -4.91 118.33 112.00 1djr n VAL 52 Ca 0.13 -0.20 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 1djr n VAL 52 Cb 0.50 -1.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1djr n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1djr s PRO 53 N -0.18 4.11 0.22 5.55 0.02 -1.26 -4.95 135.00 138.51 1djr s PRO 53 Ca 0.66 2.61 -0.02 0.00 0.02 0.00 0.00 61.00 64.27 1djr s PRO 53 Cb -0.50 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 30.99 1djr s PRO 53 CO 0.45 -0.69 0.31 0.41 -0.33 0.00 0.00 177.00 177.16 1djr n GLY 54 N 2.82 2.42 0.10 0.52 0.00 -1.26 -5.03 105.19 104.77 1djr n GLY 54 Ca 0.11 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.74 1djr n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1djr n SER 55 N -1.78 0.49 0.00 1.61 3.41 -1.26 -0.77 113.62 115.32 1djr n SER 55 Ca -0.00 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1djr n SER 55 Cb 0.36 -0.73 0.59 0.00 -0.26 0.00 0.00 64.21 64.17 1djr n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djr n GLN 56 N -2.05 0.42 -4.21 4.33 0.00 -1.26 -4.80 117.38 109.81 1djr n GLN 56 Ca 0.02 0.06 -0.33 0.00 0.00 0.00 0.00 57.00 56.75 1djr n GLN 56 Cb 0.20 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.86 1djr n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1djr s HIS 57 N -2.42 3.16 0.49 2.61 3.76 0.05 -5.11 115.29 117.84 1djr s HIS 57 Ca 0.25 0.14 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 1djr s HIS 57 Cb 0.15 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1djr s HIS 57 CO 0.32 0.50 0.74 0.96 -0.85 0.00 0.00 174.74 176.40 1djr s ILE 58 N -1.12 3.82 0.26 0.60 -4.36 -1.26 -4.93 121.20 114.21 1djr s ILE 58 Ca 0.20 -0.38 -0.03 0.00 -0.26 0.00 0.00 60.65 60.19 1djr s ILE 58 Cb -0.12 -3.44 0.24 0.00 1.25 0.00 0.00 42.46 40.40 1djr s ILE 58 CO 0.11 -0.35 1.85 0.44 0.24 0.00 0.00 174.94 177.23 1djr h ASP 59 N 0.23 0.88 0.37 4.36 3.32 -1.99 0.05 116.42 123.64 1djr h ASP 59 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1djr h ASP 59 Cb 1.26 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1djr h ASP 59 CO 0.58 0.53 0.00 0.77 -1.72 0.00 0.00 179.24 179.40 1djr h SER 60 N 1.00 0.00 1.35 6.45 4.64 -2.05 -1.51 113.55 123.43 1djr h SER 60 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1djr h SER 60 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1djr h SER 60 CO -0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.75 1djr n GLN 61 N -2.90 0.19 -0.06 4.77 6.02 0.00 -4.11 117.38 121.30 1djr n GLN 61 Ca -0.01 0.16 -0.11 0.00 -0.01 0.00 0.00 57.00 57.03 1djr n GLN 61 Cb 0.15 -1.73 -0.04 0.00 1.02 0.00 0.00 30.24 29.64 1djr n GLN 61 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1djr h LYS 62 N 0.00 0.31 -0.53 -1.09 1.79 -1.34 0.15 116.57 115.85 1djr h LYS 62 Ca 0.00 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.36 1djr h LYS 62 Cb 0.68 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1djr h LYS 62 CO 0.00 0.35 0.10 0.87 -1.08 0.00 0.00 179.45 179.69 1djr h LYS 63 N 0.19 0.83 -0.19 3.15 6.56 -1.78 -2.73 116.57 122.59 1djr h LYS 63 Ca 0.07 -0.18 -0.12 0.00 -1.06 0.00 0.00 60.65 59.36 1djr h LYS 63 Cb 0.16 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1djr h LYS 63 CO -0.01 0.76 -0.40 0.00 -2.06 0.00 0.00 179.45 177.75 1djr h ALA 64 N 1.32 0.96 -0.47 3.86 0.00 -1.55 -0.73 119.26 122.64 1djr h ALA 64 Ca 0.17 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1djr h ALA 64 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1djr h ALA 64 CO 0.00 0.62 0.29 0.82 0.00 0.00 0.00 179.25 180.99 1djr h ILE 65 N 0.37 1.14 -0.70 0.00 2.04 -0.47 -0.74 117.51 119.14 1djr h ILE 65 Ca 0.03 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1djr h ILE 65 Cb 0.86 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1djr h ILE 65 CO 0.07 0.14 0.16 -0.33 0.00 0.00 0.00 178.15 178.19 1djr h GLU 66 N 0.63 1.13 -0.50 2.37 4.39 -1.18 -2.41 114.58 119.01 1djr h GLU 66 Ca 0.17 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1djr h GLU 66 Cb -0.03 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1djr h GLU 66 CO -0.03 1.00 0.25 -0.09 -1.16 0.00 0.00 179.01 178.98 1djr h ARG 67 N 1.07 0.71 -0.59 2.33 2.43 -0.92 -1.50 114.38 117.91 1djr h ARG 67 Ca 0.22 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1djr h ARG 67 Cb 0.39 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1djr h ARG 67 CO 0.00 0.58 0.38 1.98 -1.51 0.00 0.00 179.97 181.41 1djr h MET 68 N 0.66 0.75 -0.80 0.20 4.05 -0.83 0.17 114.93 119.13 1djr h MET 68 Ca 0.17 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1djr h MET 68 Cb 0.10 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 1djr h MET 68 CO -0.02 0.50 0.34 0.87 0.23 0.00 0.00 176.91 178.82 1djr h LYS 69 N 0.77 1.18 -0.46 0.39 1.57 -1.27 -0.23 116.57 118.51 1djr h LYS 69 Ca 0.22 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1djr h LYS 69 Cb -0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.03 1djr h LYS 69 CO -0.06 0.94 0.27 -0.44 -0.57 0.00 0.00 179.45 179.59 1djr h ASP 70 N 1.15 0.44 -0.62 0.86 3.32 -0.31 -2.01 116.42 119.26 1djr h ASP 70 Ca 0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1djr h ASP 70 Cb 0.19 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1djr h ASP 70 CO -0.03 0.32 0.37 0.74 -1.72 0.00 0.00 179.24 178.92 1djr h THR 71 N 0.55 1.19 -0.57 0.35 2.02 -0.26 -2.40 112.91 113.79 1djr h THR 71 Ca 0.18 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 1djr h THR 71 Cb 0.01 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1djr h THR 71 CO -0.08 0.19 0.09 -0.07 0.37 0.00 0.00 175.52 176.03 1djr h LEU 72 N 0.84 0.86 -0.01 2.58 3.38 -0.75 0.31 115.31 122.52 1djr h LEU 72 Ca 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1djr h LEU 72 Cb -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1djr h LEU 72 CO -0.04 0.86 0.00 -0.09 0.09 0.00 0.00 178.44 179.27 1djr h ARG 73 N 0.86 0.01 -0.12 1.13 2.43 -1.11 -1.07 114.38 116.52 1djr h ARG 73 Ca 0.18 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 1djr h ARG 73 Cb 0.37 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1djr h ARG 73 CO 0.01 0.13 -0.47 0.97 -1.51 0.00 0.00 179.97 179.09 1djr h ILE 74 N -0.10 1.33 -0.36 1.20 6.09 -1.31 -1.27 117.51 123.09 1djr h ILE 74 Ca 0.00 -1.67 0.02 0.00 -1.37 0.00 0.00 64.86 61.84 1djr h ILE 74 Cb 0.12 1.76 -0.02 0.00 0.47 0.00 0.00 36.82 39.14 1djr h ILE 74 CO -0.00 0.50 0.20 0.74 -3.07 0.00 0.00 178.15 176.53 1djr h THR 75 N 0.25 1.03 0.06 2.19 2.02 -0.85 -1.67 112.91 115.94 1djr h THR 75 Ca 0.01 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1djr h THR 75 Cb 0.92 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1djr h THR 75 CO 0.08 0.08 -0.22 0.22 0.37 0.00 0.00 175.52 176.05 1djr h TYR 76 N 0.42 -0.57 -0.07 3.16 3.20 -0.89 -1.89 116.97 120.33 1djr h TYR 76 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1djr h TYR 76 Cb 0.01 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1djr h TYR 76 CO -0.08 -0.31 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.82 1djr h LEU 77 N -0.38 0.11 -1.35 2.82 3.38 -1.02 -2.11 115.31 116.77 1djr h LEU 77 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1djr h LEU 77 Cb 0.43 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1djr h LEU 77 CO -0.16 0.37 0.00 0.35 0.09 0.00 0.00 178.44 179.09 1djr n THR 78 N -4.20 0.06 -3.03 0.22 -2.24 -0.65 -4.94 114.28 99.49 1djr n THR 78 Ca -0.02 -0.37 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 1djr n THR 78 Cb 0.33 0.80 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 1djr n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1djr n GLU 79 N 0.61 -4.21 -2.68 -0.78 1.02 -0.79 -4.94 120.64 108.88 1djr n GLU 79 Ca 0.17 0.80 -0.41 0.00 -0.02 0.00 0.00 57.16 57.70 1djr n GLU 79 Cb 0.44 -5.60 -0.05 0.00 -0.02 0.00 0.00 31.44 26.21 1djr n GLU 79 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1djr s THR 80 N -3.08 4.20 -0.01 2.62 2.01 -0.76 -4.79 115.64 115.82 1djr s THR 80 Ca 0.29 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.95 1djr s THR 80 Cb -0.14 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1djr s THR 80 CO 0.36 0.36 1.25 -0.54 -0.69 0.00 0.00 174.62 175.36 1djr s LYS 81 N -0.48 4.36 0.09 4.92 1.02 -1.26 -4.31 119.74 124.07 1djr s LYS 81 Ca 0.46 1.77 -0.26 0.00 0.02 0.00 0.00 55.97 57.95 1djr s LYS 81 Cb -0.26 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.48 1djr s LYS 81 CO 0.32 -0.43 0.82 0.42 -0.92 0.00 0.00 175.35 175.56 1djr s ILE 82 N 1.96 4.58 0.00 2.17 1.01 0.11 -4.37 121.20 126.67 1djr s ILE 82 Ca 0.58 1.76 0.00 0.00 0.00 0.00 0.00 60.65 63.00 1djr s ILE 82 Cb -0.27 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1djr s ILE 82 CO 0.25 0.39 0.00 -0.67 0.00 0.00 0.00 174.94 174.91 1djr n ASP 83 N 2.51 0.00 -4.38 3.58 2.03 0.30 -1.21 116.55 119.37 1djr n ASP 83 Ca -0.02 0.26 -0.24 0.00 0.52 0.00 0.00 54.79 55.31 1djr n ASP 83 Cb 0.50 -0.45 -0.11 0.00 -0.72 0.00 0.00 41.12 40.33 1djr n ASP 83 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1djr s LYS 84 N -0.90 1.41 -0.08 -0.67 1.02 -1.15 -0.20 119.74 119.17 1djr s LYS 84 Ca 0.00 -1.49 0.05 0.00 0.02 0.00 0.00 55.97 54.55 1djr s LYS 84 Cb 0.00 -1.59 -0.00 0.00 -0.52 0.00 0.00 37.83 35.72 1djr s LYS 84 CO 0.00 0.33 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.02 1djr s LEU 85 N -2.74 2.04 -0.26 3.17 1.43 -0.46 -0.88 118.68 120.98 1djr s LEU 85 Ca 0.19 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1djr s LEU 85 Cb -0.07 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1djr s LEU 85 CO 0.09 0.19 0.30 0.00 0.23 0.00 0.00 176.35 177.16 1djr s VAL 87 N 1.83 1.09 -0.03 0.00 -7.23 -0.38 -0.18 120.40 115.50 1djr s VAL 87 Ca 0.12 -1.47 -0.24 0.00 -1.81 0.00 0.00 61.98 58.58 1djr s VAL 87 Cb -0.16 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1djr s VAL 87 CO 0.10 -0.36 0.73 0.26 -0.31 0.00 0.00 175.10 175.51 1djr s TRP 88 N -1.77 3.63 -1.40 2.82 0.51 0.11 -1.33 118.94 121.51 1djr s TRP 88 Ca 0.02 1.33 0.19 0.00 -2.12 0.00 0.00 56.10 55.52 1djr s TRP 88 Cb -0.07 -2.81 0.61 0.00 -0.81 0.00 0.00 33.47 30.39 1djr s TRP 88 CO 0.02 0.15 1.52 0.27 -0.51 0.00 0.00 176.95 178.40 1djr n ASN 89 N 3.46 4.09 -1.66 2.95 0.23 0.34 -1.82 115.26 122.84 1djr n ASN 89 Ca -0.01 -2.21 0.06 0.00 -0.53 0.00 0.00 54.58 51.88 1djr n ASN 89 Cb 0.51 -0.48 0.36 0.00 -2.08 0.00 0.00 39.78 38.09 1djr n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1djr n ASN 90 N 1.17 5.16 -4.05 0.53 6.94 -1.26 -4.91 115.26 118.85 1djr n ASN 90 Ca 0.23 -3.01 -0.13 0.00 -0.02 0.00 0.00 54.58 51.65 1djr n ASN 90 Cb 0.70 -0.66 -0.12 0.00 -2.36 0.00 0.00 39.78 37.34 1djr n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1djr s LYS 91 N -2.83 0.51 -0.15 -3.83 -0.14 -1.26 -5.09 119.74 106.96 1djr s LYS 91 Ca 0.52 -0.70 0.00 0.00 -1.36 0.00 0.00 55.97 54.42 1djr s LYS 91 Cb 0.40 -0.29 0.03 0.00 -1.68 0.00 0.00 37.83 36.29 1djr s LYS 91 CO 0.14 0.05 -0.11 0.99 -0.76 0.00 0.00 175.35 175.66 1djr s THR 92 N -1.28 1.39 0.91 2.17 2.01 -1.26 -2.61 115.64 116.97 1djr s THR 92 Ca -0.09 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1djr s THR 92 Cb -0.09 -1.38 0.14 0.00 0.01 0.00 0.00 72.50 71.18 1djr s THR 92 CO 0.00 0.36 1.11 -2.84 -0.69 0.00 0.00 174.62 172.56 1djr s PRO 93 N 1.55 1.13 0.59 4.92 0.02 -1.26 -5.06 135.00 136.89 1djr s PRO 93 Ca 0.04 1.27 -0.20 0.00 0.02 0.00 0.00 61.00 62.13 1djr s PRO 93 Cb -0.13 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 1djr s PRO 93 CO -0.09 -2.46 1.18 0.09 -0.33 0.00 0.00 177.00 175.38 1djr n ASN 94 N -4.09 1.72 -4.58 2.53 5.03 -1.07 -4.51 115.26 110.29 1djr n ASN 94 Ca 0.09 0.87 -0.34 0.00 0.87 0.00 0.00 54.58 56.07 1djr n ASN 94 Cb 0.53 -1.49 -0.11 0.00 -1.02 0.00 0.00 39.78 37.69 1djr n ASN 94 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1djr s SER 95 N -1.17 5.15 -0.01 6.41 0.15 -0.75 -1.09 113.70 122.38 1djr s SER 95 Ca 0.76 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 57.10 1djr s SER 95 Cb -0.41 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1djr s SER 95 CO 0.46 0.21 1.04 -0.63 1.20 0.00 0.00 173.24 175.52 1djr s ILE 96 N 0.14 4.65 -0.22 6.45 1.01 0.00 0.05 121.20 133.29 1djr s ILE 96 Ca 0.01 1.91 0.10 0.00 0.00 0.00 0.00 60.65 62.67 1djr s ILE 96 Cb -0.13 -4.22 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 1djr s ILE 96 CO 0.02 0.11 -0.07 0.00 0.00 0.00 0.00 174.94 175.00 1djr n ALA 97 N 4.22 1.50 -3.31 9.38 0.00 0.74 -4.87 120.51 128.18 1djr n ALA 97 Ca 0.07 -1.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.24 1djr n ALA 97 Cb 0.49 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 1djr n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1djr s ALA 98 N -2.47 -1.40 0.04 0.00 0.00 -0.90 -4.98 121.76 112.04 1djr s ALA 98 Ca -0.21 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1djr s ALA 98 Cb 0.07 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1djr s ALA 98 CO 0.67 -0.65 -0.09 -1.50 0.00 0.00 0.00 175.76 174.19 1djr s ILE 99 N -3.27 0.68 0.08 0.00 2.07 -1.26 -1.20 121.20 118.30 1djr s ILE 99 Ca -0.01 -1.04 0.04 0.00 -1.41 0.00 0.00 60.65 58.23 1djr s ILE 99 Cb -0.00 -0.70 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 1djr s ILE 99 CO -0.08 -0.27 -0.11 -0.94 -1.91 0.00 0.00 174.94 171.63 1djr s SER 100 N -1.44 1.38 -0.05 4.50 1.04 -0.06 -5.00 113.70 114.08 1djr s SER 100 Ca -0.06 -0.72 -0.06 0.00 0.48 0.00 0.00 55.95 55.59 1djr s SER 100 Cb -0.09 0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1djr s SER 100 CO 0.01 -0.21 0.15 0.00 0.98 0.00 0.00 173.24 174.17 1djr s MET 101 N -2.32 0.22 0.09 4.02 0.23 -1.26 -0.54 119.30 119.73 1djr s MET 101 Ca 0.01 0.14 0.02 0.00 -1.03 0.00 0.00 55.69 54.82 1djr s MET 101 Cb -0.06 0.10 -0.04 0.00 -1.53 0.00 0.00 34.83 33.30 1djr s MET 101 CO 0.01 -0.03 -0.07 -1.59 -2.03 0.00 0.00 175.02 171.31 1djr s LYS 102 N -0.10 0.80 0.00 3.16 -2.85 -1.26 -4.90 119.74 114.60 1djr s LYS 102 Ca -0.02 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.67 1djr s LYS 102 Cb -0.02 -0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.56 1djr s LYS 102 CO 0.00 -0.02 0.00 0.27 0.10 0.00 0.00 175.35 175.71