#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 2.15 -0.01 0.00 0.02 -1.26 -4.96 135.00 130.94 1djr s PRO 2 Ca 0.00 1.44 0.17 0.00 0.02 0.00 0.00 61.00 62.63 1djr s PRO 2 Cb 0.00 -1.87 -0.23 0.00 0.02 0.00 0.00 34.50 32.43 1djr s PRO 2 CO 0.00 -1.76 0.51 1.04 -0.33 0.00 0.00 177.00 176.45 1djr n GLN 3 N -3.15 0.98 -4.02 5.54 6.02 -1.26 -5.00 117.38 116.50 1djr n GLN 3 Ca 0.11 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 56.92 1djr n GLN 3 Cb 0.52 -1.34 -0.09 0.00 1.02 0.00 0.00 30.24 30.35 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 -2.90 0.13 0.33 5.09 -4.23 -1.26 -5.04 115.64 107.75 1djr s THR 4 Ca -0.01 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 1djr s THR 4 Cb 0.11 -1.71 0.21 0.00 1.34 0.00 0.00 72.50 72.45 1djr s THR 4 CO 0.69 -0.58 1.92 -0.29 -0.54 0.00 0.00 174.62 175.82 1djr h ILE 5 N 2.82 1.19 -0.31 2.99 2.10 -1.96 -1.91 117.51 122.43 1djr h ILE 5 Ca -0.34 -0.56 -0.17 0.00 1.08 0.00 0.00 64.86 64.87 1djr h ILE 5 Cb 1.19 0.53 -0.00 0.00 -1.09 0.00 0.00 36.82 37.46 1djr h ILE 5 CO 0.57 0.23 -0.49 0.74 -1.08 0.00 0.00 178.15 178.12 1djr h THR 6 N 0.75 1.28 -0.29 2.19 2.02 -1.99 -0.16 112.91 116.72 1djr h THR 6 Ca 0.18 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.74 1djr h THR 6 Cb 0.12 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1djr h THR 6 CO -0.02 0.55 0.05 -0.08 0.37 0.00 0.00 175.52 176.38 1djr h GLU 7 N 0.66 0.15 0.00 6.66 4.81 -1.92 -1.71 114.58 123.22 1djr h GLU 7 Ca 0.03 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1djr h GLU 7 Cb 1.09 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1djr h GLU 7 CO 0.11 0.10 -0.01 1.25 -0.73 0.00 0.00 179.01 179.73 1djr h LEU 8 N 0.15 -0.03 -1.25 1.64 6.46 -1.22 -3.07 115.31 117.99 1djr h LEU 8 Ca 0.13 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.95 1djr h LEU 8 Cb 0.14 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 1djr h LEU 8 CO -0.18 -0.02 0.53 0.00 -0.62 0.00 0.00 178.44 178.15 1djr n SER 10 N -4.46 0.03 0.00 0.00 7.64 -0.67 -2.28 113.62 113.88 1djr n SER 10 Ca 0.11 0.51 0.10 0.00 1.01 0.00 0.00 58.87 60.60 1djr n SER 10 Cb 0.16 -0.51 0.48 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.53 0.10 -4.73 1.43 1.02 -0.49 -4.86 120.64 111.58 1djr n GLU 11 Ca 0.03 0.12 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 1djr n GLU 11 Cb 0.17 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.86 2.41 0.60 -0.32 1.51 -0.97 -5.13 117.35 112.59 1djr s TYR 12 Ca 0.14 -0.35 -0.13 0.00 -1.01 0.00 0.00 57.07 55.72 1djr s TYR 12 Cb 0.14 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1djr s TYR 12 CO 0.37 0.21 1.02 1.03 -1.11 0.00 0.00 175.55 177.07 1djr s ARG 13 N -1.46 3.62 -1.50 -0.62 3.00 -1.26 -4.15 118.95 116.58 1djr s ARG 13 Ca 0.13 0.84 -0.05 0.00 0.00 0.00 0.00 55.73 56.66 1djr s ARG 13 Cb -0.10 -2.08 0.01 0.00 0.00 0.00 0.00 34.95 32.77 1djr s ARG 13 CO 0.04 -0.55 0.64 0.09 0.00 0.00 0.00 175.30 175.52 1djr n ASN 14 N -2.44 -6.05 -4.41 0.23 3.02 -1.26 -4.96 115.26 99.39 1djr n ASN 14 Ca 0.06 -0.30 -0.21 0.00 -0.03 0.00 0.00 54.58 54.11 1djr n ASN 14 Cb 0.54 -4.85 -0.10 0.00 -0.61 0.00 0.00 39.78 34.76 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 -3.18 2.01 0.11 3.41 -4.23 -1.26 -1.00 115.64 111.50 1djr s THR 15 Ca 0.32 -2.27 -0.17 0.00 -1.18 0.00 0.00 61.69 58.39 1djr s THR 15 Cb -0.14 -2.22 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1djr s THR 15 CO 0.39 -0.47 0.42 0.00 -0.54 0.00 0.00 174.62 174.42 1djr s GLN 16 N -3.61 1.06 -0.16 3.99 -2.07 -0.55 -4.91 119.66 113.41 1djr s GLN 16 Ca 0.27 -0.63 -0.16 0.00 -1.82 0.00 0.00 55.36 53.01 1djr s GLN 16 Cb -0.01 0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1djr s GLN 16 CO 0.11 -0.41 0.41 0.42 -1.32 0.00 0.00 175.29 174.50 1djr s ILE 17 N -3.56 5.21 -0.19 3.63 -1.09 -1.26 -1.28 121.20 122.65 1djr s ILE 17 Ca 0.01 0.78 -0.09 0.00 -2.23 0.00 0.00 60.65 59.13 1djr s ILE 17 Cb 0.01 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 1djr s ILE 17 CO -0.10 0.30 0.10 -0.31 -1.23 0.00 0.00 174.94 173.69 1djr s TYR 18 N 0.91 3.34 -0.44 3.97 1.51 -0.27 -4.98 117.35 121.38 1djr s TYR 18 Ca 0.21 0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 56.30 1djr s TYR 18 Cb -0.15 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1djr s TYR 18 CO 0.08 0.23 0.51 0.99 -1.11 0.00 0.00 175.55 176.25 1djr s THR 19 N 0.35 5.00 -0.23 -0.71 2.01 -1.26 -1.16 115.64 119.64 1djr s THR 19 Ca 0.06 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.56 1djr s THR 19 Cb -0.12 -4.13 -0.15 0.00 0.01 0.00 0.00 72.50 68.11 1djr s THR 19 CO -0.01 -0.54 -0.03 -0.38 -0.69 0.00 0.00 174.62 172.97 1djr n ILE 20 N 5.55 1.53 -3.94 1.82 2.08 0.55 -5.00 119.36 121.95 1djr n ILE 20 Ca -0.06 -0.15 -0.25 0.00 0.56 0.00 0.00 62.75 62.85 1djr n ILE 20 Cb 0.47 -2.00 -0.02 0.00 -0.75 0.00 0.00 39.64 37.34 1djr n ILE 20 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1djr n ASN 21 N -4.37 -0.50 -3.52 4.38 5.15 -0.01 -4.94 115.26 111.45 1djr n ASN 21 Ca -0.39 -0.99 -0.09 0.00 -0.60 0.00 0.00 54.58 52.50 1djr n ASN 21 Cb 0.74 -3.14 -0.02 0.00 -0.53 0.00 0.00 39.78 36.83 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 -4.33 -0.43 0.58 1.20 2.15 -0.58 -4.93 116.67 110.33 1djr s ASP 22 Ca 0.03 -0.09 -0.13 0.00 0.43 0.00 0.00 52.55 52.78 1djr s ASP 22 Cb -0.02 0.52 -0.05 0.00 -0.30 0.00 0.00 42.92 43.08 1djr s ASP 22 CO 0.88 -0.87 1.02 -1.59 -0.17 0.00 0.00 175.17 174.43 1djr s LYS 23 N -3.50 3.71 0.20 4.34 -2.85 -1.26 -0.63 119.74 119.75 1djr s LYS 23 Ca 0.04 0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 55.55 1djr s LYS 23 Cb -0.02 -2.10 -0.09 0.00 -2.06 0.00 0.00 37.83 33.56 1djr s LYS 23 CO -0.08 -0.48 1.42 0.42 0.10 0.00 0.00 175.35 176.73 1djr s ILE 24 N -2.96 2.90 -0.12 3.79 1.01 -1.26 -4.72 121.20 119.84 1djr s ILE 24 Ca 0.57 0.71 -0.27 0.00 0.00 0.00 0.00 60.65 61.66 1djr s ILE 24 Cb -0.11 -3.46 -0.27 0.00 0.01 0.00 0.00 42.46 38.63 1djr s ILE 24 CO 0.46 0.09 0.80 0.25 0.00 0.00 0.00 174.94 176.54 1djr h LEU 25 N 5.73 0.11 -7.97 2.97 5.85 -1.31 -3.48 115.31 117.21 1djr h LEU 25 Ca -0.44 -0.99 -0.22 0.00 0.84 0.00 0.00 57.88 57.07 1djr h LEU 25 Cb 1.21 -0.03 -0.23 0.00 0.37 0.00 0.00 40.66 41.98 1djr h LEU 25 CO 0.81 1.09 -0.72 -0.94 -0.34 0.00 0.00 178.44 178.35 1djr s SER 26 N -6.39 0.37 -0.10 1.25 1.04 -1.06 -4.99 113.70 103.82 1djr s SER 26 Ca -0.18 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 55.90 1djr s SER 26 Cb -0.02 0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1djr s SER 26 CO 0.72 -0.19 -0.21 -0.47 0.98 0.00 0.00 173.24 174.07 1djr s TYR 27 N -1.07 2.30 -0.05 5.02 6.14 -1.26 -1.68 117.35 126.75 1djr s TYR 27 Ca -0.10 -0.97 0.02 0.00 0.64 0.00 0.00 57.07 56.66 1djr s TYR 27 Cb -0.08 -1.57 0.01 0.00 0.42 0.00 0.00 41.96 40.75 1djr s TYR 27 CO -0.00 -0.42 -0.10 0.99 0.64 0.00 0.00 175.55 176.65 1djr s THR 28 N 0.53 0.95 -0.03 4.34 2.01 -0.11 -5.01 115.64 118.32 1djr s THR 28 Ca -0.15 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.46 1djr s THR 28 Cb -0.17 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.49 1djr s THR 28 CO 0.06 0.30 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.51 1djr s GLU 29 N 0.48 0.95 -0.03 4.92 2.12 -1.26 -0.70 118.70 125.17 1djr s GLU 29 Ca -0.09 -0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.04 1djr s GLU 29 Cb -0.13 -0.89 -0.00 0.00 0.26 0.00 0.00 34.13 33.37 1djr s GLU 29 CO 0.02 0.04 -0.16 0.45 -0.54 0.00 0.00 175.26 175.07 1djr s SER 30 N 0.47 1.96 -0.02 -1.70 0.15 -0.56 -4.99 113.70 109.01 1djr s SER 30 Ca -0.07 -0.32 0.11 0.00 0.70 0.00 0.00 55.95 56.37 1djr s SER 30 Cb -0.11 -0.48 0.32 0.00 -1.71 0.00 0.00 66.02 64.03 1djr s SER 30 CO 0.01 0.15 1.26 1.15 1.20 0.00 0.00 173.24 177.01 1djr n MET 31 N 3.08 2.88 -2.06 5.44 0.00 -1.26 -2.60 117.12 122.61 1djr n MET 31 Ca -0.17 -2.11 -0.41 0.00 0.00 0.00 0.00 57.70 55.01 1djr n MET 31 Cb 0.53 -1.31 -0.02 0.00 0.00 0.00 0.00 33.22 32.42 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 -1.16 3.52 0.30 3.17 0.00 -1.26 -4.87 121.76 121.46 1djr s ALA 32 Ca 0.24 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.22 1djr s ALA 32 Cb 0.14 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1djr s ALA 32 CO 0.15 -0.72 1.59 0.20 0.00 0.00 0.00 175.76 176.98 1djr s GLY 33 N -0.39 2.16 0.00 0.00 0.00 -1.26 -0.94 107.32 106.89 1djr s GLY 33 Ca 0.50 1.58 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1djr s GLY 33 CO 0.54 2.54 0.00 0.28 0.00 0.00 0.00 173.10 176.47 1djr n LYS 34 N 2.06 0.00 -2.55 2.90 4.76 -1.26 -4.83 118.16 119.24 1djr n LYS 34 Ca 0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 1djr n LYS 34 Cb 0.37 -3.04 0.03 0.00 -1.84 0.00 0.00 35.03 30.55 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 -2.00 2.25 -2.66 1.97 5.12 -0.11 -4.98 116.66 116.25 1djr n ARG 35 Ca 0.00 -3.76 -0.42 0.00 -1.93 0.00 0.00 57.85 51.74 1djr n ARG 35 Cb 0.00 -1.75 -0.02 0.00 -1.16 0.00 0.00 32.46 29.52 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 -3.50 3.68 0.21 5.56 8.01 -1.18 -4.32 118.70 127.15 1djr s GLU 36 Ca 0.36 -1.46 -0.15 0.00 0.01 0.00 0.00 54.97 53.74 1djr s GLU 36 Cb 0.40 -5.28 0.01 0.00 -4.31 0.00 0.00 34.13 24.95 1djr s GLU 36 CO -0.03 -2.11 0.47 0.00 0.01 0.00 0.00 175.26 173.61 1djr s MET 37 N 4.23 1.39 -0.02 1.61 0.23 -1.07 -4.15 119.30 121.52 1djr s MET 37 Ca 0.44 -1.03 0.07 0.00 -1.03 0.00 0.00 55.69 54.14 1djr s MET 37 Cb -0.01 0.48 -0.02 0.00 -1.53 0.00 0.00 34.83 33.76 1djr s MET 37 CO -0.07 -0.58 -0.22 0.08 -2.03 0.00 0.00 175.02 172.20 1djr s VAL 38 N -3.93 1.74 -0.07 5.16 1.01 -1.22 -1.50 120.40 121.59 1djr s VAL 38 Ca 0.14 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1djr s VAL 38 Cb -0.00 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1djr s VAL 38 CO 0.01 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.79 1djr s ILE 39 N -0.47 1.62 0.15 2.22 1.01 0.12 -1.10 121.20 124.74 1djr s ILE 39 Ca 0.07 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.05 1djr s ILE 39 Cb -0.09 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1djr s ILE 39 CO -0.00 0.46 -0.24 0.27 0.00 0.00 0.00 174.94 175.43 1djr s ILE 40 N 0.37 2.13 0.11 2.92 -4.36 0.07 -0.93 121.20 121.51 1djr s ILE 40 Ca -0.14 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 1djr s ILE 40 Cb -0.16 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1djr s ILE 40 CO 0.06 -0.05 -0.08 0.42 0.24 0.00 0.00 174.94 175.52 1djr s THR 41 N -1.40 0.84 0.28 8.37 -4.23 -0.68 -1.14 115.64 117.69 1djr s THR 41 Ca 0.15 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1djr s THR 41 Cb -0.09 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 1djr s THR 41 CO 0.07 -0.83 -0.15 -0.36 -0.54 0.00 0.00 174.62 172.81 1djr s PHE 42 N -3.53 2.14 0.52 3.99 0.08 -0.50 -0.81 117.98 119.87 1djr s PHE 42 Ca 0.13 -0.47 0.40 0.00 0.12 0.00 0.00 56.93 57.11 1djr s PHE 42 Cb 0.04 -1.04 2.08 0.00 -0.57 0.00 0.00 43.02 43.53 1djr s PHE 42 CO -0.03 0.55 2.26 1.57 -0.10 0.00 0.00 175.22 179.47 1djr h LYS 43 N 2.29 0.00 0.00 0.44 2.10 -1.89 0.13 116.57 119.64 1djr h LYS 43 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 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 0.63 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.76 1djr h SER 44 N 0.00 0.00 0.00 7.07 4.64 -1.98 -3.46 113.55 119.82 1djr h SER 44 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1djr h SER 44 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1djr h SER 44 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1djr n GLY 45 N -0.25 0.60 3.74 -0.77 0.00 0.47 -5.07 105.19 103.91 1djr n GLY 45 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.88 4.55 -0.03 1.61 2.02 -1.25 -4.81 118.70 119.90 1djr s GLU 46 Ca 0.00 1.80 0.03 0.00 0.02 0.00 0.00 54.97 56.82 1djr s GLU 46 Cb 0.00 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1djr s GLU 46 CO 0.00 0.01 -0.12 0.99 0.02 0.00 0.00 175.26 176.15 1djr s THR 47 N -0.22 1.05 0.05 3.63 2.01 -1.26 -1.41 115.64 119.49 1djr s THR 47 Ca 0.51 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1djr s THR 47 Cb -0.31 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1djr s THR 47 CO 0.36 0.32 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.19 1djr s PHE 48 N 0.13 0.61 0.21 4.92 0.08 -0.29 -4.00 117.98 119.64 1djr s PHE 48 Ca -0.03 -0.69 0.11 0.00 0.12 0.00 0.00 56.93 56.44 1djr s PHE 48 Cb -0.10 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.93 1djr s PHE 48 CO 0.01 -0.17 -0.23 1.14 -0.10 0.00 0.00 175.22 175.88 1djr s GLN 49 N -2.42 1.54 -0.26 0.44 -2.07 -0.30 -0.75 119.66 115.84 1djr s GLN 49 Ca -0.04 -1.58 -0.14 0.00 -1.82 0.00 0.00 55.36 51.79 1djr s GLN 49 Cb -0.04 -1.79 -0.04 0.00 -1.09 0.00 0.00 33.01 30.05 1djr s GLN 49 CO -0.03 0.37 0.31 0.08 -1.32 0.00 0.00 175.29 174.71 1djr s VAL 50 N -1.90 5.22 0.66 3.63 1.01 -0.26 -0.97 120.40 127.80 1djr s VAL 50 Ca 0.23 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1djr s VAL 50 Cb -0.07 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1djr s VAL 50 CO 0.11 0.21 1.20 -1.61 0.00 0.00 0.00 175.10 175.00 1djr s GLU 51 N 1.83 2.57 0.25 2.72 2.02 -1.26 -3.42 118.70 123.40 1djr s GLU 51 Ca 0.13 1.74 -0.31 0.00 0.02 0.00 0.00 54.97 56.55 1djr s GLU 51 Cb -0.16 -1.89 -0.12 0.00 0.10 0.00 0.00 34.13 32.06 1djr s GLU 51 CO 0.09 -1.50 1.57 0.28 0.02 0.00 0.00 175.26 175.72 1djr n VAL 52 N -2.21 0.70 -2.00 2.63 0.31 -1.26 -4.87 118.33 111.63 1djr n VAL 52 Ca 0.13 -0.17 -0.37 0.00 -0.01 0.00 0.00 64.34 63.92 1djr n VAL 52 Cb 0.50 -1.79 0.03 0.00 -0.91 0.00 0.00 33.84 31.67 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 -0.01 3.11 0.19 5.55 0.02 -1.26 -4.96 135.00 137.64 1djr s PRO 53 Ca 0.69 1.91 -0.20 0.00 0.02 0.00 0.00 61.00 63.42 1djr s PRO 53 Cb -0.56 -2.06 0.07 0.00 0.02 0.00 0.00 34.50 31.97 1djr s PRO 53 CO 0.45 -1.12 0.95 0.41 -0.33 0.00 0.00 177.00 177.35 1djr n GLY 54 N 0.56 0.68 0.10 0.52 0.00 -1.26 -5.01 105.19 100.78 1djr n GLY 54 Ca 0.12 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.28 0.47 0.17 1.61 3.41 -1.26 -1.46 113.62 115.28 1djr n SER 55 Ca -0.03 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 1djr n SER 55 Cb 0.55 -0.74 0.42 0.00 -0.26 0.00 0.00 64.21 64.18 1djr n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1djr h GLN 56 N 0.00 0.00 -6.53 4.33 -0.00 -1.96 -3.45 115.11 107.50 1djr h GLN 56 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.13 1djr h GLN 56 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.67 1djr h GLN 56 CO 0.00 0.00 0.03 -1.01 -0.00 0.00 0.00 178.83 177.85 1djr s HIS 57 N -3.28 3.54 0.39 0.06 3.76 -0.54 -5.09 115.29 114.13 1djr s HIS 57 Ca 0.06 1.20 0.06 0.00 -0.15 0.00 0.00 55.06 56.23 1djr s HIS 57 Cb 0.09 -2.49 0.00 0.00 1.11 0.00 0.00 32.58 31.29 1djr s HIS 57 CO 0.56 0.29 0.54 0.96 -0.85 0.00 0.00 174.74 176.24 1djr s ILE 58 N -1.67 3.66 0.31 0.60 -4.36 -1.26 -4.95 121.20 113.54 1djr s ILE 58 Ca 0.45 -0.92 -0.01 0.00 -0.26 0.00 0.00 60.65 59.91 1djr s ILE 58 Cb -0.14 -3.27 0.26 0.00 1.25 0.00 0.00 42.46 40.56 1djr s ILE 58 CO 0.20 -0.12 1.98 0.44 0.24 0.00 0.00 174.94 177.67 1djr h ASP 59 N 0.71 0.89 0.45 4.36 3.32 -1.99 -0.16 116.42 124.00 1djr h ASP 59 Ca -0.44 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1djr h ASP 59 Cb 1.27 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1djr h ASP 59 CO 0.51 0.65 0.00 -1.54 -1.72 0.00 0.00 179.24 177.14 1djr n SER 60 N -4.41 0.46 0.06 6.45 3.41 -1.26 -1.90 113.62 116.43 1djr n SER 60 Ca 0.08 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1djr n SER 60 Cb 0.03 -0.73 0.31 0.00 -0.26 0.00 0.00 64.21 63.56 1djr n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djr n GLN 61 N -2.04 0.21 0.12 4.33 6.02 -0.07 -4.23 117.38 121.72 1djr n GLN 61 Ca 0.01 0.10 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 1djr n GLN 61 Cb 0.15 -1.68 -0.06 0.00 1.02 0.00 0.00 30.24 29.67 1djr n GLN 61 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1djr h LYS 62 N 0.00 -0.34 -0.47 -1.09 3.64 -1.44 0.13 116.57 117.01 1djr h LYS 62 Ca 0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1djr h LYS 62 Cb 0.68 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1djr h LYS 62 CO 0.00 -0.23 0.06 0.87 -2.27 0.00 0.00 179.45 177.89 1djr h LYS 63 N -0.35 0.73 -0.13 1.90 1.57 -1.78 -2.92 116.57 115.58 1djr h LYS 63 Ca 0.01 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1djr h LYS 63 Cb 0.34 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1djr h LYS 63 CO -0.06 0.70 -0.43 0.00 -0.57 0.00 0.00 179.45 179.09 1djr h ALA 64 N 1.37 1.03 -0.59 3.86 0.00 -1.55 -0.16 119.26 123.22 1djr h ALA 64 Ca 0.15 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1djr h ALA 64 Cb 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1djr h ALA 64 CO 0.01 0.62 0.24 0.82 0.00 0.00 0.00 179.25 180.94 1djr h ILE 65 N 0.25 1.23 -0.30 0.00 2.04 -0.59 -0.47 117.51 119.67 1djr h ILE 65 Ca 0.02 -0.70 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1djr h ILE 65 Cb 0.87 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1djr h ILE 65 CO 0.07 0.27 -0.24 -0.33 0.00 0.00 0.00 178.15 177.92 1djr h GLU 66 N 0.82 0.58 -0.50 2.37 4.39 -1.31 -2.54 114.58 118.40 1djr h GLU 66 Ca 0.20 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1djr h GLU 66 Cb 0.19 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1djr h GLU 66 CO -0.02 0.78 0.02 -0.09 -1.16 0.00 0.00 179.01 178.54 1djr h ARG 67 N 0.51 0.86 -0.65 2.33 2.43 -0.62 -1.61 114.38 117.63 1djr h ARG 67 Ca 0.07 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1djr h ARG 67 Cb 0.70 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1djr h ARG 67 CO 0.05 0.89 0.38 1.98 -1.51 0.00 0.00 179.97 181.76 1djr h MET 68 N 0.73 0.89 -0.69 0.20 4.05 -0.88 0.96 114.93 120.19 1djr h MET 68 Ca 0.14 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1djr h MET 68 Cb 0.48 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1djr h MET 68 CO 0.02 0.65 0.40 0.87 0.23 0.00 0.00 176.91 179.08 1djr h LYS 69 N 0.89 0.95 -0.42 0.39 1.57 -1.30 -0.32 116.57 118.33 1djr h LYS 69 Ca 0.23 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1djr h LYS 69 Cb -0.00 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.07 1djr h LYS 69 CO -0.04 0.69 0.15 -0.44 -0.57 0.00 0.00 179.45 179.24 1djr h ASP 70 N 0.95 0.16 -0.48 0.86 3.32 -0.45 -2.12 116.42 118.64 1djr h ASP 70 Ca 0.25 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1djr h ASP 70 Cb 0.00 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1djr h ASP 70 CO -0.04 0.13 0.27 0.74 -1.72 0.00 0.00 179.24 178.61 1djr h THR 71 N 0.32 1.17 -0.87 0.35 2.02 -0.42 -2.19 112.91 113.28 1djr h THR 71 Ca 0.20 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1djr h THR 71 Cb 0.18 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1djr h THR 71 CO -0.20 0.18 0.44 -0.07 0.37 0.00 0.00 175.52 176.23 1djr h LEU 72 N 0.64 1.12 0.14 2.58 3.38 -0.82 0.24 115.31 122.60 1djr h LEU 72 Ca 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1djr h LEU 72 Cb 0.05 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1djr h LEU 72 CO -0.03 0.93 -0.09 -0.09 0.09 0.00 0.00 178.44 179.25 1djr h ARG 73 N 1.23 -0.23 -0.12 1.13 2.43 -1.16 -0.72 114.38 116.94 1djr h ARG 73 Ca 0.30 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.35 1djr h ARG 73 Cb 0.09 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1djr h ARG 73 CO -0.04 -0.15 -0.51 0.97 -1.51 0.00 0.00 179.97 178.73 1djr h ILE 74 N -0.24 1.34 -0.48 1.20 6.09 -1.25 -1.04 117.51 123.13 1djr h ILE 74 Ca -0.01 -1.75 -0.00 0.00 -1.37 0.00 0.00 64.86 61.73 1djr h ILE 74 Cb 0.20 1.80 -0.02 0.00 0.47 0.00 0.00 36.82 39.27 1djr h ILE 74 CO 0.01 0.53 0.30 0.74 -3.07 0.00 0.00 178.15 176.65 1djr h THR 75 N 0.26 1.15 0.22 2.19 2.02 -0.88 -1.53 112.91 116.34 1djr h THR 75 Ca 0.01 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1djr h THR 75 Cb 0.99 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1djr h THR 75 CO 0.08 0.15 -0.23 0.22 0.37 0.00 0.00 175.52 176.11 1djr h TYR 76 N 0.65 -0.60 -0.13 3.16 3.20 -0.71 -1.72 116.97 120.81 1djr h TYR 76 Ca 0.17 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1djr h TYR 76 Cb -0.02 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1djr h TYR 76 CO -0.03 -0.34 0.02 -0.07 -1.64 0.00 0.00 178.16 176.10 1djr h LEU 77 N -0.49 0.15 -1.80 2.82 3.38 -0.98 -2.13 115.31 116.26 1djr h LEU 77 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1djr h LEU 77 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1djr h LEU 77 CO -0.06 0.17 0.00 0.35 0.09 0.00 0.00 178.44 179.00 1djr n THR 78 N -4.45 0.38 -3.35 0.22 -2.24 -0.60 -4.94 114.28 99.30 1djr n THR 78 Ca -0.01 -0.57 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 1djr n THR 78 Cb 0.13 0.72 0.02 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.00 -4.80 -2.66 -0.78 1.02 -0.80 -4.93 120.64 108.68 1djr n GLU 79 Ca 0.18 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.61 1djr n GLU 79 Cb 0.49 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.32 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 -3.13 4.15 0.10 2.62 2.01 -0.70 -4.82 115.64 115.87 1djr s THR 80 Ca 0.43 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 64.04 1djr s THR 80 Cb -0.21 -4.22 -0.06 0.00 0.01 0.00 0.00 72.50 68.02 1djr s THR 80 CO 0.53 0.36 1.09 -0.75 -0.69 0.00 0.00 174.62 175.16 1djr s LYS 81 N -0.49 4.55 -0.10 4.92 2.20 -1.26 -4.32 119.74 125.24 1djr s LYS 81 Ca 0.46 1.65 -0.17 0.00 -0.36 0.00 0.00 55.97 57.54 1djr s LYS 81 Cb -0.26 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1djr s LYS 81 CO 0.32 -0.04 0.46 0.42 -0.36 0.00 0.00 175.35 176.15 1djr s ILE 82 N 0.45 5.15 0.00 5.43 1.01 0.20 -3.49 121.20 129.96 1djr s ILE 82 Ca 0.53 0.92 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1djr s ILE 82 Cb -0.27 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1djr s ILE 82 CO 0.31 0.38 0.00 -0.67 0.00 0.00 0.00 174.94 174.96 1djr n ASP 83 N 3.32 0.00 -4.33 3.58 -0.08 0.16 -0.83 116.55 118.37 1djr n ASP 83 Ca -0.08 0.22 -0.21 0.00 -1.51 0.00 0.00 54.79 53.21 1djr n ASP 83 Cb 0.52 -0.25 -0.11 0.00 2.34 0.00 0.00 41.12 43.62 1djr n ASP 83 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1djr s LYS 84 N -0.51 1.28 -0.06 -0.67 1.02 -1.16 -0.33 119.74 119.31 1djr s LYS 84 Ca 0.00 -1.45 0.05 0.00 0.02 0.00 0.00 55.97 54.59 1djr s LYS 84 Cb 0.00 -1.26 -0.00 0.00 -0.52 0.00 0.00 37.83 36.05 1djr s LYS 84 CO 0.00 0.24 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.96 1djr s LEU 85 N -2.83 1.97 -0.24 3.17 1.43 -0.31 -1.17 118.68 120.70 1djr s LEU 85 Ca 0.17 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.69 1djr s LEU 85 Cb -0.04 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1djr s LEU 85 CO 0.07 0.17 0.37 0.00 0.23 0.00 0.00 176.35 177.19 1djr s VAL 87 N 1.66 1.27 -0.09 0.00 -7.23 -0.40 -0.83 120.40 114.77 1djr s VAL 87 Ca 0.16 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1djr s VAL 87 Cb -0.15 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1djr s VAL 87 CO 0.09 -0.19 0.83 0.26 -0.31 0.00 0.00 175.10 175.78 1djr s TRP 88 N -1.28 3.53 -2.01 2.82 0.51 0.57 -1.48 118.94 121.60 1djr s TRP 88 Ca 0.01 1.37 0.20 0.00 -2.12 0.00 0.00 56.10 55.56 1djr s TRP 88 Cb -0.10 -2.98 0.57 0.00 -0.81 0.00 0.00 33.47 30.15 1djr s TRP 88 CO 0.03 -0.08 1.48 0.27 -0.51 0.00 0.00 176.95 178.13 1djr n ASN 89 N 4.45 3.47 -1.77 2.95 0.23 -0.17 -2.06 115.26 122.36 1djr n ASN 89 Ca 0.03 -2.00 -0.00 0.00 -0.53 0.00 0.00 54.58 52.08 1djr n ASN 89 Cb 0.50 -0.43 0.32 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 1.40 4.84 -4.07 0.53 6.94 -1.26 -4.89 115.26 118.75 1djr n ASN 90 Ca 0.22 -3.15 -0.12 0.00 -0.02 0.00 0.00 54.58 51.51 1djr n ASN 90 Cb 0.55 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.16 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 -2.93 0.55 -0.12 -3.83 -0.14 -1.26 -5.09 119.74 106.91 1djr s LYS 91 Ca 0.53 -0.84 -0.00 0.00 -1.36 0.00 0.00 55.97 54.30 1djr s LYS 91 Cb 0.42 -0.20 0.02 0.00 -1.68 0.00 0.00 37.83 36.39 1djr s LYS 91 CO 0.13 0.02 -0.10 0.99 -0.76 0.00 0.00 175.35 175.63 1djr s THR 92 N -1.82 1.21 0.95 2.17 2.01 -1.26 -2.68 115.64 116.21 1djr s THR 92 Ca -0.07 -0.41 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 1djr s THR 92 Cb -0.07 -1.19 0.16 0.00 0.01 0.00 0.00 72.50 71.41 1djr s THR 92 CO -0.01 0.40 1.12 -2.16 -0.69 0.00 0.00 174.62 173.28 1djr s PRO 93 N 1.58 0.78 0.55 4.92 0.04 -1.26 -5.06 135.00 136.55 1djr s PRO 93 Ca 0.04 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 1djr s PRO 93 Cb -0.13 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1djr s PRO 93 CO -0.08 -2.73 1.02 0.09 0.04 0.00 0.00 177.00 175.34 1djr n ASN 94 N -4.29 1.14 -4.68 6.66 5.03 -1.09 -4.50 115.26 113.53 1djr n ASN 94 Ca 0.10 0.88 -0.35 0.00 0.87 0.00 0.00 54.58 56.08 1djr n ASN 94 Cb 0.53 -1.41 -0.09 0.00 -1.02 0.00 0.00 39.78 37.79 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 -1.07 5.90 -0.07 6.41 0.15 -0.87 -1.14 113.70 123.00 1djr s SER 95 Ca 0.72 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 57.23 1djr s SER 95 Cb -0.45 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 1djr s SER 95 CO 0.50 0.18 1.08 -0.63 1.20 0.00 0.00 173.24 175.57 1djr s ILE 96 N 0.33 4.57 -0.23 6.45 1.01 -0.14 -0.31 121.20 132.87 1djr s ILE 96 Ca 0.05 1.85 0.04 0.00 0.00 0.00 0.00 60.65 62.60 1djr s ILE 96 Cb -0.12 -4.19 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 1djr s ILE 96 CO -0.01 0.02 -0.10 0.00 0.00 0.00 0.00 174.94 174.85 1djr n ALA 97 N 4.91 1.40 -3.33 9.38 0.00 -0.01 -4.89 120.51 127.97 1djr n ALA 97 Ca 0.09 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.32 1djr n ALA 97 Cb 0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 -2.52 -1.45 0.01 0.00 0.00 -0.96 -4.98 121.76 111.87 1djr s ALA 98 Ca -0.29 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1djr s ALA 98 Cb 0.08 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1djr s ALA 98 CO 0.66 -0.68 -0.03 -1.50 0.00 0.00 0.00 175.76 174.21 1djr s ILE 99 N -3.37 0.17 0.02 0.00 2.07 -1.26 -0.97 121.20 117.86 1djr s ILE 99 Ca -0.00 -0.58 0.04 0.00 -1.41 0.00 0.00 60.65 58.70 1djr s ILE 99 Cb -0.00 -0.25 -0.02 0.00 0.13 0.00 0.00 42.46 42.32 1djr s ILE 99 CO -0.09 -0.26 -0.13 -0.94 -1.91 0.00 0.00 174.94 171.60 1djr s SER 100 N -0.88 1.57 -0.01 4.50 1.04 -0.32 -5.00 113.70 114.60 1djr s SER 100 Ca -0.08 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.05 1djr s SER 100 Cb -0.06 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 1djr s SER 100 CO -0.00 0.09 -0.19 -0.04 0.98 0.00 0.00 173.24 174.07 1djr s MET 101 N -0.76 1.55 -0.28 4.02 -1.94 -1.26 -0.67 119.30 119.97 1djr s MET 101 Ca 0.03 -0.69 -0.21 0.00 -1.71 0.00 0.00 55.69 53.11 1djr s MET 101 Cb -0.07 -1.50 0.10 0.00 2.01 0.00 0.00 34.83 35.37 1djr s MET 101 CO 0.00 0.41 0.82 0.21 -0.01 0.00 0.00 175.02 176.46 1djr s LYS 102 N -0.46 0.66 0.00 2.03 2.20 -1.23 -4.85 119.74 118.10 1djr s LYS 102 Ca 0.07 0.91 0.23 0.00 -0.36 0.00 0.00 55.97 56.83 1djr s LYS 102 Cb -0.07 0.26 1.38 0.00 -1.51 0.00 0.00 37.83 37.88 1djr s LYS 102 CO -0.01 -0.10 1.75 0.09 -0.36 0.00 0.00 175.35 176.73