#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 1.82 -0.00 0.00 0.02 -1.26 -4.96 135.00 130.61 1djr s PRO 2 Ca 0.00 1.49 0.12 0.00 0.02 0.00 0.00 61.00 62.63 1djr s PRO 2 Cb 0.00 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.55 1djr s PRO 2 CO 0.00 -2.02 0.42 1.04 -0.33 0.00 0.00 177.00 176.11 1djr n GLN 3 N -3.46 2.33 -4.00 5.54 6.02 -1.26 -4.98 117.38 117.58 1djr n GLN 3 Ca 0.11 -0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.99 1djr n GLN 3 Cb 0.52 -1.12 -0.09 0.00 1.02 0.00 0.00 30.24 30.58 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 -2.31 0.15 0.37 5.09 -4.23 -1.26 -5.05 115.64 108.40 1djr s THR 4 Ca 0.02 -1.54 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 1djr s THR 4 Cb 0.08 -1.59 0.13 0.00 1.34 0.00 0.00 72.50 72.46 1djr s THR 4 CO 0.48 -0.68 1.87 -0.29 -0.54 0.00 0.00 174.62 175.46 1djr h ILE 5 N 2.87 1.21 -0.33 2.99 2.10 -1.95 -1.80 117.51 122.59 1djr h ILE 5 Ca -0.34 -0.96 -0.05 0.00 1.08 0.00 0.00 64.86 64.60 1djr h ILE 5 Cb 1.18 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 38.25 1djr h ILE 5 CO 0.59 0.29 0.01 0.74 -1.08 0.00 0.00 178.15 178.70 1djr h THR 6 N 0.19 1.25 -0.25 2.19 2.02 -1.99 0.03 112.91 116.37 1djr h THR 6 Ca 0.03 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1djr h THR 6 Cb 0.48 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 1djr h THR 6 CO 0.03 0.30 0.08 -0.33 0.37 0.00 0.00 175.52 175.98 1djr h GLU 7 N 0.37 0.19 -0.29 6.66 5.08 -1.93 -1.86 114.58 122.79 1djr h GLU 7 Ca 0.09 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1djr h GLU 7 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1djr h GLU 7 CO 0.01 0.12 -0.00 1.25 -1.00 0.00 0.00 179.01 179.40 1djr h LEU 8 N 0.19 0.51 -1.12 1.33 6.46 -1.17 -3.00 115.31 118.51 1djr h LEU 8 Ca 0.11 -0.31 0.05 0.00 -0.12 0.00 0.00 57.88 57.61 1djr h LEU 8 Cb 0.08 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.81 1djr h LEU 8 CO -0.11 0.70 0.60 0.00 -0.62 0.00 0.00 178.44 179.00 1djr n SER 10 N -4.46 0.55 0.00 0.00 7.64 -0.73 -2.05 113.62 114.58 1djr n SER 10 Ca 0.13 0.65 0.12 0.00 1.01 0.00 0.00 58.87 60.78 1djr n SER 10 Cb 0.15 -0.76 0.54 0.00 -1.01 0.00 0.00 64.21 63.13 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 -2.12 0.02 -4.55 1.43 1.02 -0.45 -4.84 120.64 111.15 1djr n GLU 11 Ca 0.02 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 1djr n GLU 11 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.97 2.76 0.63 -0.32 1.51 -0.87 -5.12 117.35 112.97 1djr s TYR 12 Ca 0.13 -0.12 -0.14 0.00 -1.01 0.00 0.00 57.07 55.92 1djr s TYR 12 Cb 0.17 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1djr s TYR 12 CO 0.46 0.32 1.06 0.50 -1.11 0.00 0.00 175.55 176.78 1djr s ARG 13 N -1.39 3.14 -1.38 -0.62 3.52 -1.26 -4.09 118.95 116.87 1djr s ARG 13 Ca 0.16 1.15 -0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1djr s ARG 13 Cb -0.11 -2.01 0.00 0.00 -1.56 0.00 0.00 34.95 31.27 1djr s ARG 13 CO 0.06 -0.95 0.00 0.09 -0.81 0.00 0.00 175.30 173.70 1djr n ASN 14 N -2.40 -4.81 -4.56 -2.12 3.02 -1.26 -4.96 115.26 98.16 1djr n ASN 14 Ca 0.08 -0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.37 1djr n ASN 14 Cb 0.53 -3.93 -0.10 0.00 -0.61 0.00 0.00 39.78 35.68 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 -2.81 2.44 0.07 3.41 -4.23 -1.26 -0.82 115.64 112.45 1djr s THR 15 Ca 0.00 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.19 1djr s THR 15 Cb -0.00 -2.64 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1djr s THR 15 CO 0.00 -0.24 0.37 0.00 -0.54 0.00 0.00 174.62 174.21 1djr s GLN 16 N -3.63 0.94 -0.18 3.99 -2.07 -0.30 -4.91 119.66 113.50 1djr s GLN 16 Ca 0.33 -0.54 -0.18 0.00 -1.82 0.00 0.00 55.36 53.15 1djr s GLN 16 Cb 0.00 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1djr s GLN 16 CO 0.17 -0.33 0.48 0.42 -1.32 0.00 0.00 175.29 174.71 1djr s ILE 17 N -3.00 5.15 -0.22 3.63 -1.09 -1.26 -1.85 121.20 122.56 1djr s ILE 17 Ca -0.02 0.89 -0.11 0.00 -2.23 0.00 0.00 60.65 59.18 1djr s ILE 17 Cb 0.00 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1djr s ILE 17 CO -0.06 0.23 0.16 -0.31 -1.23 0.00 0.00 174.94 173.72 1djr s TYR 18 N 1.34 3.36 -0.50 3.97 1.51 0.24 -4.97 117.35 122.29 1djr s TYR 18 Ca 0.23 0.29 -0.19 0.00 -1.01 0.00 0.00 57.07 56.39 1djr s TYR 18 Cb -0.15 -2.23 0.06 0.00 -0.11 0.00 0.00 41.96 39.52 1djr s TYR 18 CO 0.09 0.16 0.61 0.99 -1.11 0.00 0.00 175.55 176.29 1djr s THR 19 N 0.77 4.90 -0.15 -0.71 2.01 -1.26 -0.88 115.64 120.32 1djr s THR 19 Ca 0.08 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 1djr s THR 19 Cb -0.13 -4.27 -0.15 0.00 0.01 0.00 0.00 72.50 67.96 1djr s THR 19 CO 0.02 -0.76 0.30 0.40 -0.69 0.00 0.00 174.62 173.89 1djr h ILE 20 N 5.85 0.89 -6.67 1.82 1.08 -0.86 -3.49 117.51 116.14 1djr h ILE 20 Ca -0.27 -1.82 -0.53 0.00 -0.39 0.00 0.00 64.86 61.84 1djr h ILE 20 Cb 1.10 1.84 -0.06 0.00 -3.07 0.00 0.00 36.82 36.62 1djr h ILE 20 CO 0.95 0.30 -0.94 -3.20 -0.69 0.00 0.00 178.15 174.57 1djr n ASN 21 N -4.59 -1.44 -3.52 1.72 5.15 -0.14 -4.94 115.26 107.50 1djr n ASN 21 Ca -0.14 -1.12 -0.08 0.00 -0.60 0.00 0.00 54.58 52.63 1djr n ASN 21 Cb 0.42 -2.53 -0.02 0.00 -0.53 0.00 0.00 39.78 37.12 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 -4.09 -0.36 0.73 1.20 2.15 -0.75 -4.92 116.67 110.64 1djr s ASP 22 Ca 0.16 -0.03 -0.11 0.00 0.43 0.00 0.00 52.55 53.00 1djr s ASP 22 Cb -0.07 0.40 0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1djr s ASP 22 CO 0.93 -0.65 1.07 -1.59 -0.17 0.00 0.00 175.17 174.76 1djr s LYS 23 N -3.15 2.61 0.13 4.34 -2.85 -1.26 -0.63 119.74 118.94 1djr s LYS 23 Ca 0.05 0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 55.58 1djr s LYS 23 Cb -0.01 -1.96 -0.08 0.00 -2.06 0.00 0.00 37.83 33.72 1djr s LYS 23 CO -0.08 -1.30 1.34 0.42 0.10 0.00 0.00 175.35 175.83 1djr s ILE 24 N -3.07 3.36 -0.09 3.79 1.01 -1.26 -4.68 121.20 120.26 1djr s ILE 24 Ca 0.59 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 62.08 1djr s ILE 24 Cb -0.14 -3.65 -0.28 0.00 0.01 0.00 0.00 42.46 38.39 1djr s ILE 24 CO 0.55 0.10 0.64 0.25 0.00 0.00 0.00 174.94 176.48 1djr h LEU 25 N 6.40 0.41 -7.96 2.97 5.85 -1.21 -3.48 115.31 118.29 1djr h LEU 25 Ca -0.43 -0.87 -0.19 0.00 0.84 0.00 0.00 57.88 57.23 1djr h LEU 25 Cb 1.21 -0.13 -0.22 0.00 0.37 0.00 0.00 40.66 41.89 1djr h LEU 25 CO 0.83 1.56 -0.71 -0.94 -0.34 0.00 0.00 178.44 178.85 1djr s SER 26 N -7.02 0.28 -0.08 1.25 1.04 -0.95 -4.98 113.70 103.23 1djr s SER 26 Ca -0.18 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 55.85 1djr s SER 26 Cb 0.03 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1djr s SER 26 CO 0.78 -0.24 -0.14 -0.47 0.98 0.00 0.00 173.24 174.15 1djr s TYR 27 N -1.21 1.70 -0.05 5.02 6.14 -1.26 -1.26 117.35 126.43 1djr s TYR 27 Ca -0.13 -0.67 0.03 0.00 0.64 0.00 0.00 57.07 56.95 1djr s TYR 27 Cb -0.08 -1.22 0.00 0.00 0.42 0.00 0.00 41.96 41.08 1djr s TYR 27 CO -0.01 -0.33 -0.14 0.99 0.64 0.00 0.00 175.55 176.70 1djr s THR 28 N 0.67 1.22 -0.02 4.34 2.01 0.32 -5.01 115.64 119.18 1djr s THR 28 Ca -0.14 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1djr s THR 28 Cb -0.16 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.30 1djr s THR 28 CO 0.04 0.36 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.62 1djr s GLU 29 N 0.24 0.33 -0.06 4.92 2.12 -1.26 -0.72 118.70 124.26 1djr s GLU 29 Ca -0.07 0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.33 1djr s GLU 29 Cb -0.12 -0.45 -0.01 0.00 0.26 0.00 0.00 34.13 33.81 1djr s GLU 29 CO 0.02 -0.08 -0.22 0.45 -0.54 0.00 0.00 175.26 174.89 1djr s SER 30 N 0.76 2.79 -0.01 -1.70 0.15 -0.51 -5.00 113.70 110.18 1djr s SER 30 Ca -0.08 -0.47 0.13 0.00 0.70 0.00 0.00 55.95 56.23 1djr s SER 30 Cb -0.11 -0.88 0.37 0.00 -1.71 0.00 0.00 66.02 63.69 1djr s SER 30 CO -0.01 0.20 1.31 1.15 1.20 0.00 0.00 173.24 177.09 1djr n MET 31 N 3.13 2.88 -2.09 5.44 0.00 -1.26 -2.65 117.12 122.57 1djr n MET 31 Ca -0.18 -2.20 -0.41 0.00 0.00 0.00 0.00 57.70 54.91 1djr n MET 31 Cb 0.52 -1.36 -0.02 0.00 0.00 0.00 0.00 33.22 32.36 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 -1.13 3.55 0.21 3.17 0.00 -1.26 -4.86 121.76 121.45 1djr s ALA 32 Ca 0.28 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.18 1djr s ALA 32 Cb 0.16 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 1djr s ALA 32 CO 0.18 -0.66 1.57 0.41 0.00 0.00 0.00 175.76 177.26 1djr n GLY 33 N 1.60 1.17 3.13 0.00 0.00 -1.26 -1.07 105.19 108.76 1djr n GLY 33 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1djr n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1djr n LYS 34 N 2.98 -0.25 -2.52 1.61 4.76 -1.26 -4.84 118.16 118.63 1djr n LYS 34 Ca 0.14 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1djr n LYS 34 Cb 0.32 -3.50 0.04 0.00 -1.84 0.00 0.00 35.03 30.05 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 -1.79 2.43 -2.57 1.97 5.12 -0.23 -4.98 116.66 116.61 1djr n ARG 35 Ca 0.00 -3.77 -0.41 0.00 -1.93 0.00 0.00 57.85 51.74 1djr n ARG 35 Cb 0.06 -1.85 -0.03 0.00 -1.16 0.00 0.00 32.46 29.49 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 -3.68 3.64 0.23 5.56 8.01 -1.17 -4.39 118.70 126.90 1djr s GLU 36 Ca 0.36 -1.23 -0.12 0.00 0.01 0.00 0.00 54.97 53.99 1djr s GLU 36 Cb 0.36 -5.38 -0.00 0.00 -4.31 0.00 0.00 34.13 24.80 1djr s GLU 36 CO -0.01 -2.21 0.45 0.00 0.01 0.00 0.00 175.26 173.49 1djr s MET 37 N 4.87 1.47 0.01 1.61 0.23 -1.09 -4.22 119.30 122.19 1djr s MET 37 Ca 0.47 -1.22 0.07 0.00 -1.03 0.00 0.00 55.69 53.97 1djr s MET 37 Cb 0.00 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.74 1djr s MET 37 CO -0.08 -0.60 -0.20 0.08 -2.03 0.00 0.00 175.02 172.19 1djr s VAL 38 N -4.00 1.61 -0.06 5.16 1.01 -1.21 -1.42 120.40 121.48 1djr s VAL 38 Ca 0.21 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1djr s VAL 38 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1djr s VAL 38 CO 0.07 0.33 -0.15 -0.63 0.00 0.00 0.00 175.10 174.72 1djr s ILE 39 N -0.63 1.30 0.12 2.22 1.01 0.10 -1.34 121.20 123.99 1djr s ILE 39 Ca 0.07 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.23 1djr s ILE 39 Cb -0.08 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1djr s ILE 39 CO 0.00 0.39 -0.25 0.27 0.00 0.00 0.00 174.94 175.35 1djr s ILE 40 N 0.43 2.41 0.16 2.92 -4.36 -0.01 -0.52 121.20 122.23 1djr s ILE 40 Ca -0.11 -1.68 0.05 0.00 -0.26 0.00 0.00 60.65 58.64 1djr s ILE 40 Cb -0.14 -2.07 -0.05 0.00 1.25 0.00 0.00 42.46 41.45 1djr s ILE 40 CO 0.04 0.10 -0.09 0.42 0.24 0.00 0.00 174.94 175.65 1djr s THR 41 N -1.07 1.21 0.30 8.37 -4.23 -0.39 -1.00 115.64 118.84 1djr s THR 41 Ca 0.15 -2.07 0.11 0.00 -1.18 0.00 0.00 61.69 58.69 1djr s THR 41 Cb -0.10 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1djr s THR 41 CO 0.07 -0.68 -0.12 -0.36 -0.54 0.00 0.00 174.62 172.99 1djr s PHE 42 N -3.30 2.40 0.45 3.99 0.08 -0.62 -0.64 117.98 120.33 1djr s PHE 42 Ca 0.19 -0.38 0.17 0.00 0.12 0.00 0.00 56.93 57.02 1djr s PHE 42 Cb 0.03 -1.19 1.10 0.00 -0.57 0.00 0.00 43.02 42.39 1djr s PHE 42 CO 0.02 0.64 1.95 -0.22 -0.10 0.00 0.00 175.22 177.51 1djr h LYS 43 N 2.09 0.34 0.00 0.44 3.64 -1.90 0.91 116.57 122.09 1djr h LYS 43 Ca -0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1djr h LYS 43 Cb 1.25 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1djr h LYS 43 CO 0.64 0.22 0.00 -1.13 -2.27 0.00 0.00 179.45 176.91 1djr n SER 44 N -4.46 0.53 0.00 4.20 3.41 -1.26 -4.87 113.62 111.17 1djr n SER 44 Ca 0.12 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1djr n SER 44 Cb 0.49 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.11 1.15 3.78 5.00 0.00 0.31 -5.07 105.19 109.25 1djr n GLY 45 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.91 3.86 -0.05 1.61 2.02 -1.25 -4.77 118.70 119.22 1djr s GLU 46 Ca 0.00 1.67 0.03 0.00 0.02 0.00 0.00 54.97 56.69 1djr s GLU 46 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.82 1djr s GLU 46 CO 0.00 -0.44 -0.14 0.99 0.02 0.00 0.00 175.26 175.69 1djr s THR 47 N -1.61 1.19 0.06 3.63 2.01 -1.26 -1.60 115.64 118.06 1djr s THR 47 Ca 0.62 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 62.08 1djr s THR 47 Cb -0.26 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 1djr s THR 47 CO 0.31 0.36 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.17 1djr s PHE 48 N 0.25 0.73 0.19 4.92 0.08 -0.17 -4.09 117.98 119.89 1djr s PHE 48 Ca -0.07 -0.64 0.11 0.00 0.12 0.00 0.00 56.93 56.46 1djr s PHE 48 Cb -0.12 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.85 1djr s PHE 48 CO 0.02 -0.11 -0.21 1.14 -0.10 0.00 0.00 175.22 175.96 1djr s GLN 49 N -2.30 1.63 -0.33 0.44 -2.07 -0.41 -0.83 119.66 115.79 1djr s GLN 49 Ca -0.03 -1.47 -0.17 0.00 -1.82 0.00 0.00 55.36 51.86 1djr s GLN 49 Cb -0.05 -1.91 -0.01 0.00 -1.09 0.00 0.00 33.01 29.95 1djr s GLN 49 CO -0.01 0.41 0.48 0.08 -1.32 0.00 0.00 175.29 174.93 1djr s VAL 50 N -1.66 5.05 0.68 3.63 1.01 -0.45 -0.89 120.40 127.77 1djr s VAL 50 Ca 0.21 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1djr s VAL 50 Cb -0.08 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.40 1djr s VAL 50 CO 0.11 -0.13 1.18 -1.61 0.00 0.00 0.00 175.10 174.65 1djr s GLU 51 N 2.31 2.53 0.25 2.72 2.02 -1.26 -3.35 118.70 123.93 1djr s GLU 51 Ca 0.18 1.67 -0.31 0.00 0.02 0.00 0.00 54.97 56.53 1djr s GLU 51 Cb -0.16 -1.89 -0.13 0.00 0.10 0.00 0.00 34.13 32.06 1djr s GLU 51 CO 0.12 -1.51 1.48 0.28 0.02 0.00 0.00 175.26 175.65 1djr n VAL 52 N -2.35 0.92 -1.78 2.63 0.31 -1.26 -4.89 118.33 111.92 1djr n VAL 52 Ca 0.13 -0.23 -0.41 0.00 -0.01 0.00 0.00 64.34 63.81 1djr n VAL 52 Cb 0.51 -1.65 -0.01 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.36 4.11 0.22 5.55 0.02 -1.26 -4.95 135.00 138.32 1djr s PRO 53 Ca 0.67 2.59 -0.06 0.00 0.02 0.00 0.00 61.00 64.22 1djr s PRO 53 Cb -0.59 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 30.95 1djr s PRO 53 CO 0.48 -0.61 0.40 0.41 -0.33 0.00 0.00 177.00 177.36 1djr n GLY 54 N 1.52 1.79 0.00 0.52 0.00 -1.26 -5.03 105.19 102.73 1djr n GLY 54 Ca 0.05 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.49 0.02 0.09 1.61 3.41 -1.26 -1.77 113.62 114.23 1djr n SER 55 Ca -0.03 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1djr n SER 55 Cb 0.34 -0.51 0.45 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.52 0.19 -3.52 4.33 0.00 -1.26 -4.83 117.38 110.77 1djr n GLN 56 Ca 0.05 0.23 -0.33 0.00 0.00 0.00 0.00 57.00 56.95 1djr n GLN 56 Cb 0.24 -1.75 -0.05 0.00 0.00 0.00 0.00 30.24 28.68 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 -3.13 3.52 0.27 2.61 3.76 -0.73 -5.10 115.29 116.49 1djr s HIS 57 Ca 0.09 0.80 0.03 0.00 -0.15 0.00 0.00 55.06 55.83 1djr s HIS 57 Cb 0.12 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 1djr s HIS 57 CO 0.52 0.43 0.42 0.96 -0.85 0.00 0.00 174.74 176.22 1djr s ILE 58 N -1.57 5.21 0.32 0.60 -4.36 -1.26 -4.94 121.20 115.19 1djr s ILE 58 Ca 0.39 -0.76 0.05 0.00 -0.26 0.00 0.00 60.65 60.07 1djr s ILE 58 Cb -0.13 -3.85 0.30 0.00 1.25 0.00 0.00 42.46 40.03 1djr s ILE 58 CO 0.20 -0.39 1.86 0.44 0.24 0.00 0.00 174.94 177.29 1djr h ASP 59 N 1.11 0.79 0.39 4.36 3.32 -1.99 -0.54 116.42 123.86 1djr h ASP 59 Ca -0.51 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1djr h ASP 59 Cb 1.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1djr h ASP 59 CO 0.62 0.42 0.00 0.77 -1.72 0.00 0.00 179.24 179.33 1djr h SER 60 N 0.84 0.00 1.29 6.45 4.64 -2.05 -1.67 113.55 123.05 1djr h SER 60 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1djr h SER 60 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1djr h SER 60 CO -0.23 0.00 -0.24 1.56 -0.87 0.00 0.00 176.83 177.06 1djr h GLN 61 N 0.00 0.00 0.32 4.77 4.20 -1.48 -3.36 115.11 119.55 1djr h GLN 61 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1djr h GLN 61 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1djr h GLN 61 CO 0.00 0.00 -0.18 0.87 -0.67 0.00 0.00 178.83 178.85 1djr h LYS 62 N 0.00 -0.46 -0.38 1.46 1.57 -1.37 0.10 116.57 117.50 1djr h LYS 62 Ca 0.00 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1djr h LYS 62 Cb 0.76 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1djr h LYS 62 CO 0.00 -0.30 0.04 0.87 -0.57 0.00 0.00 179.45 179.49 1djr h LYS 63 N -0.47 0.58 -0.13 3.15 1.57 -1.78 -2.78 116.57 116.70 1djr h LYS 63 Ca -0.04 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.49 1djr h LYS 63 Cb 0.38 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1djr h LYS 63 CO 0.04 0.57 -0.51 0.00 -0.57 0.00 0.00 179.45 178.98 1djr h ALA 64 N 1.49 0.87 -0.21 3.86 0.00 -1.56 -0.47 119.26 123.24 1djr h ALA 64 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1djr h ALA 64 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1djr h ALA 64 CO 0.00 0.67 0.14 0.82 0.00 0.00 0.00 179.25 180.88 1djr h ILE 65 N 0.29 1.07 -0.56 0.00 2.04 -0.64 -1.12 117.51 118.58 1djr h ILE 65 Ca 0.01 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1djr h ILE 65 Cb 1.01 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 1djr h ILE 65 CO 0.09 0.06 0.06 -0.33 0.00 0.00 0.00 178.15 178.03 1djr h GLU 66 N 0.28 0.93 -0.74 2.37 4.39 -1.22 -2.30 114.58 118.28 1djr h GLU 66 Ca 0.08 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 1djr h GLU 66 Cb -0.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1djr h GLU 66 CO -0.02 0.88 0.39 -0.09 -1.16 0.00 0.00 179.01 179.01 1djr h ARG 67 N 0.87 1.04 -0.69 2.33 2.43 -0.85 -1.30 114.38 118.21 1djr h ARG 67 Ca 0.17 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1djr h ARG 67 Cb 0.43 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1djr h ARG 67 CO 0.01 0.79 0.38 1.98 -1.51 0.00 0.00 179.97 181.62 1djr h MET 68 N 1.02 0.97 -0.69 0.20 4.05 -0.92 0.14 114.93 119.70 1djr h MET 68 Ca 0.26 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1djr h MET 68 Cb 0.07 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 30.65 1djr h MET 68 CO -0.04 0.72 0.16 0.87 0.23 0.00 0.00 176.91 178.86 1djr h LYS 69 N 0.95 1.11 -0.61 0.39 1.57 -1.18 -0.27 116.57 118.53 1djr h LYS 69 Ca 0.24 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1djr h LYS 69 Cb 0.04 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1djr h LYS 69 CO -0.04 0.98 0.37 -0.44 -0.57 0.00 0.00 179.45 179.75 1djr h ASP 70 N 1.05 0.59 -0.58 0.86 3.32 -0.26 -1.93 116.42 119.47 1djr h ASP 70 Ca 0.22 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1djr h ASP 70 Cb 0.38 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1djr h ASP 70 CO 0.00 0.41 0.30 0.74 -1.72 0.00 0.00 179.24 178.97 1djr h THR 71 N 0.72 1.20 -0.84 0.35 2.02 -0.26 -2.26 112.91 113.84 1djr h THR 71 Ca 0.25 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1djr h THR 71 Cb 0.04 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1djr h THR 71 CO -0.11 0.22 0.43 -0.07 0.37 0.00 0.00 175.52 176.36 1djr h LEU 72 N 0.78 1.08 -0.01 2.58 3.38 -0.83 0.19 115.31 122.49 1djr h LEU 72 Ca 0.20 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1djr h LEU 72 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1djr h LEU 72 CO -0.03 0.89 0.00 -0.09 0.09 0.00 0.00 178.44 179.31 1djr h ARG 73 N 1.19 0.01 -0.02 1.13 2.43 -1.08 -1.15 114.38 116.88 1djr h ARG 73 Ca 0.29 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1djr h ARG 73 Cb 0.08 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1djr h ARG 73 CO -0.04 0.22 -0.60 0.97 -1.51 0.00 0.00 179.97 179.01 1djr h ILE 74 N -0.20 1.42 -0.42 1.20 6.09 -1.29 -1.12 117.51 123.19 1djr h ILE 74 Ca 0.00 -2.05 0.01 0.00 -1.37 0.00 0.00 64.86 61.46 1djr h ILE 74 Cb 0.22 2.09 -0.03 0.00 0.47 0.00 0.00 36.82 39.57 1djr h ILE 74 CO -0.00 0.59 0.26 0.74 -3.07 0.00 0.00 178.15 176.67 1djr h THR 75 N 0.04 1.07 0.18 2.19 2.02 -0.88 -1.50 112.91 116.02 1djr h THR 75 Ca -0.01 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1djr h THR 75 Cb 1.08 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1djr h THR 75 CO 0.08 0.10 -0.16 0.22 0.37 0.00 0.00 175.52 176.12 1djr h TYR 76 N 0.52 -0.43 -0.16 3.16 3.20 -0.90 -1.83 116.97 120.53 1djr h TYR 76 Ca 0.16 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1djr h TYR 76 Cb -0.02 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1djr h TYR 76 CO -0.06 -0.25 -0.18 -0.07 -1.64 0.00 0.00 178.16 175.95 1djr h LEU 77 N -0.37 0.26 -0.91 2.82 3.38 -1.01 -2.50 115.31 116.98 1djr h LEU 77 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1djr h LEU 77 Cb 0.34 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1djr h LEU 77 CO -0.03 0.47 -0.05 0.35 0.09 0.00 0.00 178.44 179.26 1djr n THR 78 N -4.21 0.00 -3.05 0.22 -2.24 -0.58 -4.93 114.28 99.48 1djr n THR 78 Ca -0.01 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.31 1djr n THR 78 Cb 0.32 0.53 0.03 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 0.06 -4.88 -2.51 -0.78 1.02 -0.80 -4.93 120.64 107.81 1djr n GLU 79 Ca 0.17 0.89 -0.41 0.00 -0.02 0.00 0.00 57.16 57.79 1djr n GLU 79 Cb 0.36 -5.75 -0.04 0.00 -0.02 0.00 0.00 31.44 26.00 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 -3.17 4.05 0.08 2.62 2.01 -0.76 -4.78 115.64 115.69 1djr s THR 80 Ca 0.32 1.63 -0.30 0.00 0.31 0.00 0.00 61.69 63.64 1djr s THR 80 Cb -0.14 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1djr s THR 80 CO 0.39 0.22 1.17 -0.54 -0.69 0.00 0.00 174.62 175.17 1djr s LYS 81 N 0.24 4.46 0.07 4.92 1.02 -1.26 -4.33 119.74 124.86 1djr s LYS 81 Ca 0.52 1.74 -0.23 0.00 0.02 0.00 0.00 55.97 58.03 1djr s LYS 81 Cb -0.28 -3.34 -0.06 0.00 -0.52 0.00 0.00 37.83 33.62 1djr s LYS 81 CO 0.32 -0.20 0.70 0.42 -0.92 0.00 0.00 175.35 175.68 1djr s ILE 82 N 0.85 4.67 0.00 2.17 1.01 0.20 -4.20 121.20 125.89 1djr s ILE 82 Ca 0.57 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.72 1djr s ILE 82 Cb -0.29 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1djr s ILE 82 CO 0.30 0.45 0.00 -0.67 0.00 0.00 0.00 174.94 175.02 1djr n ASP 83 N 2.27 0.00 -4.33 3.58 2.03 0.40 -0.96 116.55 119.53 1djr n ASP 83 Ca -0.06 0.22 -0.24 0.00 0.52 0.00 0.00 54.79 55.23 1djr n ASP 83 Cb 0.50 -0.38 -0.12 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.75 1.25 -0.06 -0.67 1.02 -1.15 -0.26 119.74 119.11 1djr s LYS 84 Ca 0.00 -1.31 0.06 0.00 0.02 0.00 0.00 55.97 54.74 1djr s LYS 84 Cb 0.00 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.83 1djr s LYS 84 CO 0.00 0.33 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.00 1djr s LEU 85 N -2.27 2.06 -0.29 3.17 1.43 -0.06 -1.06 118.68 121.67 1djr s LEU 85 Ca 0.12 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1djr s LEU 85 Cb -0.08 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1djr s LEU 85 CO 0.06 0.23 0.24 0.00 0.23 0.00 0.00 176.35 177.10 1djr s VAL 87 N 1.83 1.06 -0.06 0.00 -7.23 -0.77 -0.66 120.40 114.58 1djr s VAL 87 Ca 0.09 -1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 1djr s VAL 87 Cb -0.16 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1djr s VAL 87 CO 0.11 -0.24 0.69 0.26 -0.31 0.00 0.00 175.10 175.61 1djr s TRP 88 N -1.28 3.59 -1.15 2.82 0.51 0.85 -1.15 118.94 123.14 1djr s TRP 88 Ca -0.03 1.24 0.18 0.00 -2.12 0.00 0.00 56.10 55.38 1djr s TRP 88 Cb -0.10 -2.78 0.67 0.00 -0.81 0.00 0.00 33.47 30.45 1djr s TRP 88 CO 0.02 0.12 1.58 0.27 -0.51 0.00 0.00 176.95 178.43 1djr n ASN 89 N 3.63 4.46 -1.70 2.95 0.23 0.00 -1.91 115.26 122.91 1djr n ASN 89 Ca -0.02 -2.39 0.08 0.00 -0.53 0.00 0.00 54.58 51.72 1djr n ASN 89 Cb 0.51 -0.54 0.38 0.00 -2.08 0.00 0.00 39.78 38.05 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 1.03 5.22 -4.17 0.53 0.23 -1.26 -4.93 115.26 111.91 1djr n ASN 90 Ca 0.24 -2.72 -0.18 0.00 -0.53 0.00 0.00 54.58 51.40 1djr n ASN 90 Cb 0.82 -0.63 -0.12 0.00 -2.08 0.00 0.00 39.78 37.77 1djr n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1djr s LYS 91 N -2.35 0.81 -0.18 -3.83 -0.14 -1.26 -5.10 119.74 107.69 1djr s LYS 91 Ca 0.52 -0.97 -0.00 0.00 -1.36 0.00 0.00 55.97 54.16 1djr s LYS 91 Cb 0.37 -0.77 0.01 0.00 -1.68 0.00 0.00 37.83 35.76 1djr s LYS 91 CO 0.20 0.17 -0.16 0.99 -0.76 0.00 0.00 175.35 175.78 1djr s THR 92 N -1.40 2.43 1.10 2.17 2.01 -1.26 -2.50 115.64 118.19 1djr s THR 92 Ca -0.02 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 1djr s THR 92 Cb -0.09 -2.04 0.25 0.00 0.01 0.00 0.00 72.50 70.62 1djr s THR 92 CO 0.02 0.51 1.06 -2.16 -0.69 0.00 0.00 174.62 173.36 1djr s PRO 93 N 1.24 -0.42 0.63 4.92 0.04 -1.26 -5.04 135.00 135.10 1djr s PRO 93 Ca 0.03 0.62 -0.19 0.00 0.04 0.00 0.00 61.00 61.51 1djr s PRO 93 Cb -0.14 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1djr s PRO 93 CO -0.08 -3.33 1.22 0.09 0.04 0.00 0.00 177.00 174.93 1djr n ASN 94 N -4.61 1.81 -4.61 6.66 5.03 -1.04 -4.53 115.26 113.96 1djr n ASN 94 Ca 0.04 0.84 -0.34 0.00 0.87 0.00 0.00 54.58 55.98 1djr n ASN 94 Cb 0.56 -1.52 -0.10 0.00 -1.02 0.00 0.00 39.78 37.70 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 -1.29 5.44 -0.03 6.41 0.15 -0.80 -1.29 113.70 122.29 1djr s SER 95 Ca 0.80 0.05 -0.30 0.00 0.70 0.00 0.00 55.95 57.19 1djr s SER 95 Cb -0.39 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 1djr s SER 95 CO 0.43 0.19 1.29 -0.63 1.20 0.00 0.00 173.24 175.72 1djr s ILE 96 N 0.26 4.01 -0.25 6.45 1.01 -0.07 -0.10 121.20 132.51 1djr s ILE 96 Ca 0.02 1.36 0.01 0.00 0.00 0.00 0.00 60.65 62.04 1djr s ILE 96 Cb -0.13 -3.88 -0.16 0.00 0.01 0.00 0.00 42.46 38.30 1djr s ILE 96 CO 0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 174.94 174.72 1djr n ALA 97 N 5.26 1.44 -3.26 9.38 0.00 0.17 -4.87 120.51 128.63 1djr n ALA 97 Ca 0.12 -1.08 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1djr n ALA 97 Cb 0.45 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.51 -1.31 0.06 0.00 0.00 -0.91 -4.99 121.76 112.11 1djr s ALA 98 Ca -0.34 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1djr s ALA 98 Cb 0.09 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1djr s ALA 98 CO 0.58 -0.60 -0.07 -1.50 0.00 0.00 0.00 175.76 174.16 1djr s ILE 99 N -3.07 0.60 0.04 0.00 2.07 -1.26 -1.04 121.20 118.53 1djr s ILE 99 Ca -0.02 -1.38 0.03 0.00 -1.41 0.00 0.00 60.65 57.87 1djr s ILE 99 Cb -0.00 -0.99 -0.02 0.00 0.13 0.00 0.00 42.46 41.57 1djr s ILE 99 CO -0.07 -0.56 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.38 1djr s SER 100 N -2.10 1.02 -0.02 4.50 1.04 -0.22 -5.00 113.70 112.93 1djr s SER 100 Ca -0.02 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.90 1djr s SER 100 Cb -0.05 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1djr s SER 100 CO -0.01 -0.15 -0.06 -0.04 0.98 0.00 0.00 173.24 173.96 1djr s MET 101 N -1.47 0.61 0.06 4.02 -1.94 -1.26 -0.46 119.30 118.86 1djr s MET 101 Ca -0.07 -0.20 0.06 0.00 -1.71 0.00 0.00 55.69 53.78 1djr s MET 101 Cb -0.09 -0.61 -0.03 0.00 2.01 0.00 0.00 34.83 36.11 1djr s MET 101 CO 0.01 0.08 -0.17 0.21 -0.01 0.00 0.00 175.02 175.14 1djr s LYS 102 N 0.16 1.03 0.00 2.03 2.20 -1.26 -4.89 119.74 119.01 1djr s LYS 102 Ca -0.02 -0.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 1djr s LYS 102 Cb -0.06 -1.12 0.00 0.00 -1.51 0.00 0.00 37.83 35.14 1djr s LYS 102 CO -0.00 0.27 0.28 -1.71 -0.36 0.00 0.00 175.35 173.83