#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omo n LEU -5 N 0.00 3.86 -4.78 1.20 4.77 -1.26 -4.97 117.00 115.83 2omo n LEU -5 Ca 0.00 -2.00 -0.39 0.00 -0.03 0.00 0.00 56.01 53.60 2omo n LEU -5 Cb 0.00 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 2omo n LEU -5 CO 0.00 0.97 0.49 -0.31 -1.33 0.00 0.00 177.39 177.20 2omo s TYR -4 N -1.00 3.85 0.31 -1.77 1.51 -1.26 -5.06 117.35 113.93 2omo s TYR -4 Ca 0.47 1.61 0.00 0.00 -1.01 0.00 0.00 57.07 58.14 2omo s TYR -4 Cb 0.24 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 2omo s TYR -4 CO 0.32 0.46 0.51 -0.06 -1.11 0.00 0.00 175.55 175.67 2omo s PHE -3 N -1.25 3.49 0.15 2.71 0.08 -1.26 -5.06 117.98 116.85 2omo s PHE -3 Ca 0.38 0.34 -0.31 0.00 0.12 0.00 0.00 56.93 57.46 2omo s PHE -3 Cb -0.22 -1.88 -0.10 0.00 -0.57 0.00 0.00 43.02 40.25 2omo s PHE -3 CO 0.25 0.19 1.59 -1.14 -0.10 0.00 0.00 175.22 176.01 2omo s GLN -2 N -4.08 4.21 0.46 0.44 0.74 -1.26 -5.00 119.66 115.17 2omo s GLN -2 Ca 0.40 2.37 -0.09 0.00 0.05 0.00 0.00 55.36 58.09 2omo s GLN -2 Cb -0.10 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 2omo s GLN -2 CO 0.34 -0.63 0.81 0.20 -0.55 0.00 0.00 175.29 175.45 2omo s GLY -1 N 1.36 1.75 -0.14 2.59 0.00 -1.26 -4.74 107.32 106.87 2omo s GLY -1 Ca 0.71 -0.30 0.16 0.00 0.00 0.00 0.00 44.72 45.29 2omo s GLY -1 CO 0.31 -0.11 1.16 1.42 0.00 0.00 0.00 173.10 175.89 2omo n HIS 0 N -1.81 0.00 -3.77 1.90 -0.00 0.20 -4.90 115.22 106.85 2omo n HIS 0 Ca 0.02 -1.09 -0.25 0.00 -0.00 0.00 0.00 57.72 56.40 2omo n HIS 0 Cb 0.54 -0.18 -0.17 0.00 -0.00 0.00 0.00 29.99 30.19 2omo n HIS 0 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2omo s TYR 2 N -2.74 0.89 -0.07 4.41 5.04 0.96 -4.83 117.35 121.01 2omo s TYR 2 Ca 0.32 -0.51 0.05 0.00 -2.44 0.00 0.00 57.07 54.49 2omo s TYR 2 Cb 0.30 -0.94 -0.01 0.00 0.35 0.00 0.00 41.96 41.66 2omo s TYR 2 CO -0.01 -0.47 -0.24 0.08 -1.34 0.00 0.00 175.55 173.57 2omo s VAL 3 N 1.90 2.12 -0.17 3.14 1.01 -0.55 -0.50 120.40 127.35 2omo s VAL 3 Ca 0.02 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2omo s VAL 3 Cb -0.14 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.47 2omo s VAL 3 CO -0.07 0.57 -0.19 -0.89 0.00 0.00 0.00 175.10 174.52 2omo s THR 4 N -0.01 2.21 -0.34 3.92 2.01 0.36 -0.19 115.64 123.60 2omo s THR 4 Ca -0.08 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2omo s THR 4 Cb -0.15 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2omo s THR 4 CO 0.05 0.53 0.33 -0.63 -0.69 0.00 0.00 174.62 174.21 2omo s ILE 5 N 1.18 5.20 -0.24 1.82 1.01 -0.09 -1.12 121.20 128.95 2omo s ILE 5 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 2omo s ILE 5 Cb -0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2omo s ILE 5 CO -0.09 -0.08 0.11 -0.69 0.00 0.00 0.00 174.94 174.19 2omo s VAL 6 N 1.94 4.76 -0.19 2.92 1.01 -0.12 -0.89 120.40 129.83 2omo s VAL 6 Ca 0.10 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.98 2omo s VAL 6 Cb -0.17 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2omo s VAL 6 CO 0.11 0.34 0.07 -0.31 0.00 0.00 0.00 175.10 175.32 2omo s TYR 7 N 1.34 3.27 -0.04 5.22 2.02 0.40 -0.75 117.35 128.81 2omo s TYR 7 Ca 0.06 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 2omo s TYR 7 Cb -0.15 -2.10 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2omo s TYR 7 CO 0.05 0.15 -0.09 0.00 -1.57 0.00 0.00 175.55 174.09 2omo s ALA 8 N 0.42 0.92 -0.17 3.71 0.00 -0.10 -1.80 121.76 124.74 2omo s ALA 8 Ca 0.04 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2omo s ALA 8 Cb -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2omo s ALA 8 CO 0.00 0.11 -0.18 0.45 0.00 0.00 0.00 175.76 176.14 2omo s SER 9 N 0.43 3.36 -0.01 0.00 0.15 -1.26 -0.91 113.70 115.47 2omo s SER 9 Ca -0.07 -0.57 0.06 0.00 0.70 0.00 0.00 55.95 56.07 2omo s SER 9 Cb -0.11 -1.51 -0.03 0.00 -1.71 0.00 0.00 66.02 62.66 2omo s SER 9 CO 0.01 0.04 -0.19 -0.69 1.20 0.00 0.00 173.24 173.62 2omo s VAL 10 N 1.05 2.68 0.56 4.45 1.01 -0.29 0.01 120.40 129.87 2omo s VAL 10 Ca -0.01 -1.01 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 2omo s VAL 10 Cb -0.14 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2omo s VAL 10 CO -0.06 0.49 1.30 0.29 0.00 0.00 0.00 175.10 177.12 2omo n LYS 11 N 2.04 1.55 -0.01 2.72 5.02 0.01 -4.59 118.16 124.91 2omo n LYS 11 Ca -0.17 0.57 0.05 0.00 -2.02 0.00 0.00 58.31 56.75 2omo n LYS 11 Cb 0.52 -2.51 0.44 0.00 -0.02 0.00 0.00 35.03 33.46 2omo n LYS 11 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2omo h THR 12 N 1.26 1.07 -0.60 -0.18 1.03 -1.97 -2.08 112.91 111.43 2omo h THR 12 Ca -0.50 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 65.72 2omo h THR 12 Cb 1.31 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 2omo h THR 12 CO 0.56 0.09 0.00 -0.90 -0.01 0.00 0.00 175.52 175.26 2omo n ASP 13 N -4.48 4.75 -0.00 0.00 3.85 -1.26 -3.91 116.55 115.51 2omo n ASP 13 Ca 0.04 -2.52 0.00 0.00 -0.71 0.00 0.00 54.79 51.60 2omo n ASP 13 Cb 0.11 -0.59 0.00 0.00 -1.35 0.00 0.00 41.12 39.29 2omo n ASP 13 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2omo n LYS 14 N 0.96 2.14 -0.19 0.11 4.76 -0.79 -4.83 118.16 120.32 2omo n LYS 14 Ca 0.25 -1.23 -0.09 0.00 -2.87 0.00 0.00 58.31 54.37 2omo n LYS 14 Cb 0.92 -0.86 0.01 0.00 -1.84 0.00 0.00 35.03 33.26 2omo n LYS 14 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2omo h THR 15 N 0.86 1.26 -0.33 -0.18 1.35 -1.67 0.68 112.91 114.89 2omo h THR 15 Ca 0.00 -1.04 -0.14 0.00 -0.55 0.00 0.00 66.41 64.68 2omo h THR 15 Cb 0.65 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2omo h THR 15 CO 0.00 0.37 -0.35 -0.33 -0.25 0.00 0.00 175.52 174.96 2omo h GLU 16 N 0.81 0.74 -0.42 4.72 4.39 -1.89 -1.47 114.58 121.45 2omo h GLU 16 Ca 0.16 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 2omo h GLU 16 Cb 0.48 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2omo h GLU 16 CO 0.02 0.98 0.00 0.00 -1.16 0.00 0.00 179.01 178.85 2omo h ALA 17 N 0.99 0.57 -0.66 3.43 0.00 -1.85 -2.33 119.26 119.41 2omo h ALA 17 Ca 0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2omo h ALA 17 Cb 0.89 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2omo h ALA 17 CO 0.08 0.36 0.30 0.35 0.00 0.00 0.00 179.25 180.34 2omo h PHE 18 N 0.58 0.97 -0.59 0.00 3.57 -0.71 -1.70 116.94 119.05 2omo h PHE 18 Ca 0.12 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2omo h PHE 18 Cb 0.49 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 2omo h PHE 18 CO 0.04 0.73 0.34 0.87 -2.23 0.00 0.00 178.31 178.06 2omo h LYS 19 N 0.92 0.82 -0.17 1.11 1.57 -1.13 -0.38 116.57 119.30 2omo h LYS 19 Ca 0.22 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2omo h LYS 19 Cb 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2omo h LYS 19 CO -0.03 0.62 0.04 1.49 -0.57 0.00 0.00 179.45 181.00 2omo h GLU 20 N 0.80 0.28 -0.54 3.15 4.81 -1.27 -1.10 114.58 120.72 2omo h GLU 20 Ca 0.21 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2omo h GLU 20 Cb 0.03 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2omo h GLU 20 CO -0.04 0.42 0.23 0.00 -0.73 0.00 0.00 179.01 178.90 2omo h ALA 21 N 0.84 1.38 -0.05 2.92 0.00 -1.13 -2.90 119.26 120.33 2omo h ALA 21 Ca 0.05 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 2omo h ALA 21 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2omo h ALA 21 CO 0.00 0.47 -0.84 1.15 0.00 0.00 0.00 179.25 180.04 2omo h THR 22 N 0.77 1.37 0.00 0.00 2.02 -0.95 -2.79 112.91 113.33 2omo h THR 22 Ca 0.19 -2.24 0.00 0.00 0.77 0.00 0.00 66.41 65.13 2omo h THR 22 Cb 0.13 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2omo h THR 22 CO -0.02 0.68 0.00 -1.14 0.37 0.00 0.00 175.52 175.41 2omo n ARG 23 N -3.82 0.00 0.00 6.66 0.63 -0.43 -0.02 116.66 119.69 2omo n ARG 23 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2omo n ARG 23 Cb 0.77 -0.78 0.00 0.00 0.45 0.00 0.00 32.46 32.90 2omo n ARG 23 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2omo n ASN 25 N 0.31 0.00 -0.11 6.15 2.85 -1.05 -0.83 115.26 122.58 2omo n ASN 25 Ca 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.42 2omo n ASN 25 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2omo n ASN 25 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 2omo h HIS 26 N 0.00 -0.20 -0.75 1.20 2.76 -0.74 0.61 115.15 118.03 2omo h HIS 26 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2omo h HIS 26 Cb 0.00 0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 2omo h HIS 26 CO 0.00 -0.16 0.43 0.93 -1.30 0.00 0.00 177.93 177.83 2omo h GLU 27 N -0.00 1.02 0.07 5.26 5.08 -1.23 -1.94 114.58 122.84 2omo h GLU 27 Ca 0.18 -0.10 -0.28 0.00 -1.00 0.00 0.00 59.36 58.16 2omo h GLU 27 Cb 0.27 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2omo h GLU 27 CO -0.38 0.73 -1.41 1.96 -1.00 0.00 0.00 179.01 178.91 2omo h GLN 28 N 1.04 0.14 -0.21 2.33 1.08 -1.76 -3.36 115.11 114.37 2omo h GLN 28 Ca 0.27 -0.24 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 2omo h GLN 28 Cb -0.01 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2omo h GLN 28 CO -0.05 0.98 -0.39 0.77 -0.95 0.00 0.00 178.83 179.19 2omo h SER 29 N 0.04 0.52 0.49 1.46 0.02 -0.26 -2.00 113.55 113.81 2omo h SER 29 Ca -0.18 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2omo h SER 29 Cb 1.95 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2omo h SER 29 CO 0.14 0.86 0.00 2.30 -1.14 0.00 0.00 176.83 178.99 2omo n ILE 30 N -4.03 1.05 1.09 3.27 -5.35 -0.79 -1.39 119.36 113.22 2omo n ILE 30 Ca -0.02 0.30 0.12 0.00 -0.27 0.00 0.00 62.75 62.89 2omo n ILE 30 Cb 0.50 -1.14 0.21 0.00 -1.74 0.00 0.00 39.64 37.47 2omo n ILE 30 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2omo n ARG 31 N -1.77 2.18 -2.29 6.28 1.74 -0.76 -4.85 116.66 117.19 2omo n ARG 31 Ca 0.02 -1.71 -0.41 0.00 -0.77 0.00 0.00 57.85 54.99 2omo n ARG 31 Cb 0.16 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2omo n ARG 31 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2omo s GLU 32 N -1.98 4.47 -0.38 5.56 2.02 -0.48 -4.94 118.70 122.97 2omo s GLU 32 Ca 0.31 1.99 -0.43 0.00 0.02 0.00 0.00 54.97 56.86 2omo s GLU 32 Cb 0.20 -3.17 -0.17 0.00 0.10 0.00 0.00 34.13 31.09 2omo s GLU 32 CO 0.31 -0.06 1.71 -2.30 0.02 0.00 0.00 175.26 174.93 2omo n PRO 33 N 1.65 0.64 -0.71 0.39 -0.02 -1.26 -1.62 135.00 134.08 2omo n PRO 33 Ca 0.02 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2omo n PRO 33 Cb 0.43 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2omo n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2omo n GLY 34 N 4.27 0.83 3.72 -1.23 0.00 -1.26 -4.87 105.19 106.65 2omo n GLY 34 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 2omo n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2omo s ASN 35 N -2.90 3.11 0.62 1.61 3.84 -0.64 -0.64 114.94 119.94 2omo s ASN 35 Ca 0.00 1.21 -0.18 0.00 0.21 0.00 0.00 52.86 54.09 2omo s ASN 35 Cb 0.00 -1.86 -0.03 0.00 -0.55 0.00 0.00 41.25 38.81 2omo s ASN 35 CO 0.00 -2.83 1.14 0.54 -2.79 0.00 0.00 177.10 173.17 2omo n ARG 37 N -3.98 1.03 -3.05 0.43 3.00 -0.87 -4.90 116.66 108.33 2omo n ARG 37 Ca 0.06 0.40 -0.16 0.00 -0.01 0.00 0.00 57.85 58.15 2omo n ARG 37 Cb 0.57 -2.36 0.00 0.00 0.00 0.00 0.00 32.46 30.67 2omo n ARG 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2omo n PHE 38 N -1.80 -0.83 -2.71 -1.55 7.35 -1.20 -0.77 117.46 115.95 2omo n PHE 38 Ca 0.15 -3.26 -0.41 0.00 -0.76 0.00 0.00 57.45 53.17 2omo n PHE 38 Cb 0.48 0.22 -0.05 0.00 0.35 0.00 0.00 39.48 40.48 2omo n PHE 38 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2omo s ASP 39 N -1.98 7.53 -0.26 -2.13 1.01 -0.56 -4.80 116.67 115.48 2omo s ASP 39 Ca 0.34 1.90 -0.05 0.00 0.71 0.00 0.00 52.55 55.45 2omo s ASP 39 Cb 0.31 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.65 2omo s ASP 39 CO -0.08 0.01 0.02 -0.63 0.21 0.00 0.00 175.17 174.70 2omo s ILE 40 N -0.53 3.66 0.12 0.77 -1.09 -1.26 -0.69 121.20 122.18 2omo s ILE 40 Ca 0.45 -0.62 0.10 0.00 -2.23 0.00 0.00 60.65 58.35 2omo s ILE 40 Cb -0.25 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 2omo s ILE 40 CO 0.31 0.23 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.25 2omo s LEU 41 N 1.48 2.31 -0.06 2.97 1.43 0.35 -4.99 118.68 122.18 2omo s LEU 41 Ca 0.04 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 2omo s LEU 41 Cb -0.16 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.95 2omo s LEU 41 CO -0.00 0.14 -0.23 -1.58 0.23 0.00 0.00 176.35 174.91 2omo s GLN 42 N -2.01 2.39 0.28 1.70 0.74 -1.26 -1.14 119.66 120.36 2omo s GLN 42 Ca 0.11 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.40 2omo s GLN 42 Cb -0.10 -2.01 -0.11 0.00 1.10 0.00 0.00 33.01 31.89 2omo s GLN 42 CO 0.05 0.33 1.55 0.45 -0.55 0.00 0.00 175.29 177.12 2omo s SER 43 N -0.06 6.46 0.32 6.67 0.15 0.28 -4.92 113.70 122.60 2omo s SER 43 Ca -0.05 2.86 0.01 0.00 0.70 0.00 0.00 55.95 59.48 2omo s SER 43 Cb -0.14 -2.63 0.53 0.00 -1.71 0.00 0.00 66.02 62.08 2omo s SER 43 CO 0.04 -0.85 1.90 0.00 1.20 0.00 0.00 173.24 175.52 2omo h ALA 44 N 4.93 1.36 0.14 5.45 0.00 -1.99 -3.30 119.26 125.85 2omo h ALA 44 Ca -0.47 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 53.97 2omo h ALA 44 Cb 1.22 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2omo h ALA 44 CO 0.79 0.47 -1.60 -0.44 0.00 0.00 0.00 179.25 178.47 2omo h ASP 45 N 0.73 0.46 -3.35 0.00 3.32 -1.97 -3.44 116.42 112.16 2omo h ASP 45 Ca 0.17 -0.65 -0.54 0.00 0.02 0.00 0.00 57.03 56.03 2omo h ASP 45 Cb 0.18 -0.15 -0.40 0.00 0.22 0.00 0.00 39.33 39.19 2omo h ASP 45 CO -0.01 1.55 -0.77 -0.62 -1.72 0.00 0.00 179.24 177.67 2omo s ASP 46 N -7.07 3.10 0.41 6.45 -1.08 -1.24 -5.02 116.67 112.22 2omo s ASP 46 Ca -0.11 -0.89 0.28 0.00 -0.52 0.00 0.00 52.55 51.31 2omo s ASP 46 Cb 0.06 -0.71 1.46 0.00 -1.46 0.00 0.00 42.92 42.27 2omo s ASP 46 CO 0.85 -0.29 1.86 -0.65 0.52 0.00 0.00 175.17 177.46 2omo h PRO 47 N 8.18 0.00 -0.01 4.34 0.11 -1.87 -0.98 132.00 141.77 2omo h PRO 47 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2omo h PRO 47 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2omo h PRO 47 CO 0.35 0.00 -0.09 0.25 -0.21 0.00 0.00 178.00 178.30 2omo n THR 48 N -2.50 0.00 -4.35 -1.15 -2.24 -1.26 -4.85 114.28 97.93 2omo n THR 48 Ca -0.01 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2omo n THR 48 Cb 0.08 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 2omo n THR 48 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2omo s ARG 49 N -2.21 3.62 0.10 -0.78 3.00 -0.37 -1.14 118.95 121.17 2omo s ARG 49 Ca 0.34 -0.48 0.04 0.00 0.00 0.00 0.00 55.73 55.62 2omo s ARG 49 Cb 0.20 -2.94 -0.04 0.00 0.00 0.00 0.00 34.95 32.18 2omo s ARG 49 CO 0.41 0.31 -0.10 -0.06 0.00 0.00 0.00 175.30 175.86 2omo s PHE 50 N 0.19 1.04 -0.05 -0.53 0.08 -0.09 -0.56 117.98 118.08 2omo s PHE 50 Ca -0.01 -0.67 0.03 0.00 0.12 0.00 0.00 56.93 56.40 2omo s PHE 50 Cb -0.13 -0.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.75 2omo s PHE 50 CO 0.02 -0.01 -0.12 0.08 -0.10 0.00 0.00 175.22 175.10 2omo s VAL 51 N -2.53 1.04 -0.28 -0.44 1.01 -0.30 -0.93 120.40 117.97 2omo s VAL 51 Ca 0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2omo s VAL 51 Cb -0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2omo s VAL 51 CO -0.00 0.32 0.12 -0.76 0.00 0.00 0.00 175.10 174.78 2omo s LEU 52 N 0.39 3.82 -0.57 3.92 1.02 0.08 -0.49 118.68 126.83 2omo s LEU 52 Ca -0.08 -0.33 -0.17 0.00 0.02 0.00 0.00 54.13 53.57 2omo s LEU 52 Cb -0.12 -1.98 0.12 0.00 0.02 0.00 0.00 46.19 44.23 2omo s LEU 52 CO 0.02 -0.11 0.59 -0.47 0.02 0.00 0.00 176.35 176.40 2omo s TYR 53 N 1.63 3.18 -0.35 0.29 5.04 0.13 -0.94 117.35 126.33 2omo s TYR 53 Ca 0.06 -1.20 -0.08 0.00 -2.44 0.00 0.00 57.07 53.40 2omo s TYR 53 Cb -0.16 -3.88 0.03 0.00 0.35 0.00 0.00 41.96 38.30 2omo s TYR 53 CO 0.06 -1.12 0.14 -1.21 -1.34 0.00 0.00 175.55 172.08 2omo s GLU 54 N 1.93 2.72 -0.12 4.97 2.02 -0.28 -1.49 118.70 128.45 2omo s GLU 54 Ca 0.07 -1.13 0.03 0.00 0.02 0.00 0.00 54.97 53.96 2omo s GLU 54 Cb -0.27 -3.55 0.01 0.00 0.10 0.00 0.00 34.13 30.42 2omo s GLU 54 CO 0.04 -0.67 -0.22 0.00 0.02 0.00 0.00 175.26 174.43 2omo s ALA 55 N 1.46 2.12 0.21 5.21 0.00 0.05 -0.49 121.76 130.32 2omo s ALA 55 Ca -0.00 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.06 2omo s ALA 55 Cb -0.19 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2omo s ALA 55 CO 0.04 0.12 -0.14 0.71 0.00 0.00 0.00 175.76 176.49 2omo s TYR 56 N 0.60 1.72 0.19 0.00 2.02 0.34 -2.06 117.35 120.17 2omo s TYR 56 Ca -0.13 -0.58 -0.10 0.00 -0.37 0.00 0.00 57.07 55.88 2omo s TYR 56 Cb -0.17 -0.81 0.12 0.00 -0.40 0.00 0.00 41.96 40.70 2omo s TYR 56 CO 0.03 0.35 1.77 -0.22 -1.57 0.00 0.00 175.55 175.92 2omo h LYS 57 N 2.55 1.01 -4.25 -0.62 3.64 -1.17 0.28 116.57 118.00 2omo h LYS 57 Ca -0.38 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 58.71 2omo h LYS 57 Cb 1.22 -0.18 -0.15 0.00 -0.41 0.00 0.00 32.23 32.71 2omo h LYS 57 CO 0.62 0.81 -0.66 0.95 -2.27 0.00 0.00 179.45 178.91 2omo s THR 58 N -5.66 0.19 0.27 1.00 -4.23 -1.26 -4.20 115.64 101.75 2omo s THR 58 Ca -0.13 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2omo s THR 58 Cb 0.14 -1.62 0.25 0.00 1.34 0.00 0.00 72.50 72.61 2omo s THR 58 CO 0.81 -0.87 1.78 -0.09 -0.54 0.00 0.00 174.62 175.71 2omo h ARG 59 N 3.07 0.71 -0.55 3.99 2.43 -1.92 -2.41 114.38 119.70 2omo h ARG 59 Ca -0.34 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.70 2omo h ARG 59 Cb 1.16 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 2omo h ARG 59 CO 0.64 0.47 -0.01 0.87 -1.51 0.00 0.00 179.97 180.43 2omo h LYS 60 N 0.73 0.95 -0.43 0.20 1.57 -1.99 -0.79 116.57 116.82 2omo h LYS 60 Ca 0.47 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2omo h LYS 60 Cb 0.61 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2omo h LYS 60 CO -0.33 0.94 0.27 -0.44 -0.57 0.00 0.00 179.45 179.33 2omo h ASP 61 N 0.87 0.50 -0.64 0.86 3.32 -1.79 -0.80 116.42 118.75 2omo h ASP 61 Ca 0.16 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2omo h ASP 61 Cb 0.53 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2omo h ASP 61 CO 0.03 0.38 0.32 0.00 -1.72 0.00 0.00 179.24 178.25 2omo h ALA 62 N 1.14 0.83 -0.68 3.45 0.00 -1.21 -2.44 119.26 120.35 2omo h ALA 62 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2omo h ALA 62 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 2omo h ALA 62 CO -0.03 0.38 0.36 0.00 0.00 0.00 0.00 179.25 179.96 2omo h ALA 63 N 1.15 1.35 -0.75 0.00 0.00 -0.82 -2.76 119.26 117.44 2omo h ALA 63 Ca 0.22 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2omo h ALA 63 Cb 0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2omo h ALA 63 CO -0.03 0.52 0.49 0.00 0.00 0.00 0.00 179.25 180.24 2omo h ALA 64 N 1.45 1.56 -0.99 0.00 0.00 -0.65 -2.51 119.26 118.12 2omo h ALA 64 Ca 0.24 -0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.30 2omo h ALA 64 Cb 0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 17.79 17.48 2omo h ALA 64 CO -0.04 0.36 0.61 1.25 0.00 0.00 0.00 179.25 181.44 2omo h HIS 65 N 0.91 0.98 0.00 0.00 2.76 -1.33 0.28 115.15 118.75 2omo h HIS 65 Ca 0.30 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 2omo h HIS 65 Cb 0.06 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2omo h HIS 65 CO -0.00 0.26 0.00 1.63 -1.30 0.00 0.00 177.93 178.52 2omo n LYS 66 N -4.69 0.11 0.00 5.26 5.02 -0.94 -2.33 118.16 120.58 2omo n LYS 66 Ca 0.22 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.72 2omo n LYS 66 Cb 0.56 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.31 2omo n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2omo n GLU 67 N -1.43 1.26 -3.08 1.97 1.02 0.08 -4.75 120.64 115.70 2omo n GLU 67 Ca 0.07 -0.90 -0.33 0.00 -0.02 0.00 0.00 57.16 55.98 2omo n GLU 67 Cb 0.25 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 2omo n GLU 67 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2omo s THR 68 N -2.36 4.62 0.23 2.62 -4.23 -0.99 -4.98 115.64 110.54 2omo s THR 68 Ca 0.25 1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 61.75 2omo s THR 68 Cb 0.19 -3.63 0.20 0.00 1.34 0.00 0.00 72.50 70.60 2omo s THR 68 CO 0.49 -0.17 1.84 0.00 -0.54 0.00 0.00 174.62 176.23 2omo h ALA 69 N 2.29 1.13 -0.68 3.99 0.00 -1.93 -1.84 119.26 122.22 2omo h ALA 69 Ca -0.48 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 2omo h ALA 69 Cb 1.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2omo h ALA 69 CO 0.65 0.66 0.12 1.12 0.00 0.00 0.00 179.25 181.79 2omo h HIS 70 N 1.24 1.19 -0.18 0.00 2.07 -1.94 0.68 115.15 118.22 2omo h HIS 70 Ca 0.31 -0.16 0.01 0.00 -2.85 0.00 0.00 60.37 57.67 2omo h HIS 70 Cb 0.06 -0.33 -0.01 0.00 2.57 0.00 0.00 27.41 29.70 2omo h HIS 70 CO 0.01 0.99 0.09 -0.92 -3.07 0.00 0.00 177.93 175.03 2omo h TYR 71 N 1.05 0.17 -0.49 6.12 3.20 -1.73 -0.50 116.97 124.79 2omo h TYR 71 Ca 0.21 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2omo h TYR 71 Cb 0.44 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2omo h TYR 71 CO 0.03 0.10 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.50 2omo h LEU 72 N 0.19 0.86 -0.03 2.82 3.38 -0.93 0.64 115.31 122.25 2omo h LEU 72 Ca 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2omo h LEU 72 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2omo h LEU 72 CO -0.05 0.97 0.01 0.74 0.09 0.00 0.00 178.44 180.21 2omo h THR 73 N 0.79 1.07 0.04 0.22 2.02 -0.84 -2.00 112.91 114.20 2omo h THR 73 Ca 0.13 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.13 2omo h THR 73 Cb 0.59 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2omo h THR 73 CO 0.04 0.06 -0.11 -0.25 0.37 0.00 0.00 175.52 175.62 2omo h TRP 74 N -0.04 -0.29 -0.25 3.16 7.01 -0.42 -0.99 115.95 124.12 2omo h TRP 74 Ca 0.01 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.05 2omo h TRP 74 Cb 0.08 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.23 2omo h TRP 74 CO -0.05 -0.17 0.03 -0.09 -2.79 0.00 0.00 178.44 175.37 2omo h ARG 75 N -0.21 0.12 -0.26 2.65 2.43 -0.86 -0.76 114.38 117.48 2omo h ARG 75 Ca 0.03 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2omo h ARG 75 Cb 0.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2omo h ARG 75 CO -0.09 0.08 -0.19 -0.44 -1.51 0.00 0.00 179.97 177.82 2omo h ASP 76 N 0.12 0.45 0.89 -3.80 3.32 -1.24 -2.35 116.42 113.81 2omo h ASP 76 Ca 0.12 -0.13 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 2omo h ASP 76 Cb 0.13 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2omo h ASP 76 CO -0.17 0.66 -1.07 0.00 -1.72 0.00 0.00 179.24 176.94 2omo h THR 77 N 0.42 1.65 -0.00 0.35 1.03 -0.42 -3.32 112.91 112.62 2omo h THR 77 Ca 0.07 -3.31 0.00 0.00 -0.01 0.00 0.00 66.41 63.16 2omo h THR 77 Cb 0.58 2.88 0.00 0.00 -1.07 0.00 0.00 68.15 70.53 2omo h THR 77 CO 0.04 0.95 -0.45 1.33 -0.01 0.00 0.00 175.52 177.39 2omo n VAL 78 N -3.41 0.00 -0.13 0.00 0.24 -0.36 -4.41 118.33 110.27 2omo n VAL 78 Ca -0.03 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.34 62.20 2omo n VAL 78 Cb 0.96 0.31 0.04 0.00 -1.47 0.00 0.00 33.84 33.68 2omo n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2omo h ALA 79 N 3.19 0.44 0.00 2.33 0.00 -1.52 0.29 119.26 123.98 2omo h ALA 79 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2omo h ALA 79 Cb 0.50 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2omo h ALA 79 CO 0.00 -0.34 0.00 -0.25 0.00 0.00 0.00 179.25 178.66 2omo n ASP 80 N -5.13 0.59 -3.95 0.00 8.00 -1.26 -4.96 116.55 109.84 2omo n ASP 80 Ca 0.03 0.60 -0.43 0.00 0.71 0.00 0.00 54.79 55.71 2omo n ASP 80 Cb 0.20 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2omo n ASP 80 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2omo n TRP 81 N -2.11 3.26 0.00 1.24 8.01 0.09 -4.99 117.44 122.94 2omo n TRP 81 Ca 0.04 -2.88 0.00 0.00 -1.31 0.00 0.00 57.50 53.35 2omo n TRP 81 Cb 0.30 -2.00 0.00 0.00 -2.01 0.00 0.00 31.31 27.60 2omo n TRP 81 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2omo n ALA 83 N 4.20 1.07 -3.39 6.99 0.00 0.10 -0.81 120.51 128.68 2omo n ALA 83 Ca 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.74 2omo n ALA 83 Cb 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2omo n ALA 83 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2omo s GLU 84 N -1.07 1.43 0.32 0.00 -1.05 -1.23 -4.99 118.70 112.11 2omo s GLU 84 Ca 0.00 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 53.67 2omo s GLU 84 Cb 0.00 0.54 -0.10 0.00 -0.44 0.00 0.00 34.13 34.12 2omo s GLU 84 CO 0.00 -0.62 1.42 -2.14 0.95 0.00 0.00 175.26 174.87 2omo s PRO 85 N -3.87 4.24 0.74 -4.83 0.02 -1.26 -4.62 135.00 125.42 2omo s PRO 85 Ca 0.09 2.37 -0.13 0.00 0.02 0.00 0.00 61.00 63.35 2omo s PRO 85 Cb -0.02 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 31.50 2omo s PRO 85 CO -0.02 -0.38 1.15 1.03 -0.33 0.00 0.00 177.00 178.44 2omo s ARG 86 N -1.39 2.19 -0.12 5.54 0.52 -1.26 -4.90 118.95 119.53 2omo s ARG 86 Ca 0.54 1.50 0.01 0.00 -0.52 0.00 0.00 55.73 57.26 2omo s ARG 86 Cb -0.43 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.20 2omo s ARG 86 CO 0.53 -1.74 -0.13 0.21 0.02 0.00 0.00 175.30 174.19 2omo s LYS 87 N -4.26 2.06 -0.15 3.54 2.20 -0.75 -4.98 119.74 117.41 2omo s LYS 87 Ca 0.68 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 2omo s LYS 87 Cb -0.23 -1.89 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 2omo s LYS 87 CO 0.48 -0.18 -0.02 0.20 -0.36 0.00 0.00 175.35 175.46 2omo s GLY 88 N 1.36 1.75 -0.15 5.54 0.00 -1.26 -0.45 107.32 114.11 2omo s GLY 88 Ca 0.01 -0.81 0.02 0.00 0.00 0.00 0.00 44.72 43.94 2omo s GLY 88 CO -0.07 -0.13 -0.21 0.14 0.00 0.00 0.00 173.10 172.83 2omo s VAL 89 N 0.19 2.03 0.04 1.40 1.01 -0.07 -4.95 120.40 120.06 2omo s VAL 89 Ca -0.01 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 2omo s VAL 89 Cb -0.14 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 2omo s VAL 89 CO 0.02 0.54 0.48 -0.63 0.00 0.00 0.00 175.10 175.52 2omo s ILE 90 N 1.02 4.91 0.04 2.22 1.01 -1.26 -0.92 121.20 128.22 2omo s ILE 90 Ca -0.02 0.97 0.02 0.00 0.00 0.00 0.00 60.65 61.61 2omo s ILE 90 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2omo s ILE 90 CO -0.06 0.53 -0.06 -0.31 0.00 0.00 0.00 174.94 175.03 2omo s TYR 91 N -1.14 0.59 -0.20 3.97 2.02 0.74 -5.00 117.35 118.33 2omo s TYR 91 Ca 0.27 -0.56 -0.10 0.00 -0.37 0.00 0.00 57.07 56.31 2omo s TYR 91 Cb -0.18 -0.36 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 2omo s TYR 91 CO 0.16 -0.12 0.14 0.20 -1.57 0.00 0.00 175.55 174.36 2omo s GLY 92 N -1.71 2.04 -0.18 0.71 0.00 -1.26 -1.48 107.32 105.44 2omo s GLY 92 Ca -0.09 -0.69 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 2omo s GLY 92 CO -0.01 0.17 1.27 -0.32 0.00 0.00 0.00 173.10 174.21 2omo s GLY 93 N 0.41 1.62 -0.18 0.20 0.00 -1.26 -4.88 107.32 103.23 2omo s GLY 93 Ca 0.08 0.43 -0.21 0.00 0.00 0.00 0.00 44.72 45.02 2omo s GLY 93 CO -0.01 2.51 0.34 1.41 0.00 0.00 0.00 173.10 177.34 2omo h LEU 94 N 9.83 0.08 -8.10 0.66 3.38 -1.95 0.57 115.31 119.79 2omo h LEU 94 Ca -0.26 -0.65 -0.38 0.00 0.09 0.00 0.00 57.88 56.68 2omo h LEU 94 Cb 1.10 -0.02 -0.27 0.00 0.09 0.00 0.00 40.66 41.56 2omo h LEU 94 CO 0.98 1.47 -0.77 -0.31 0.09 0.00 0.00 178.44 179.89 2omo s TYR 95 N -2.37 0.83 0.62 1.13 2.02 -1.26 -4.07 117.35 114.25 2omo s TYR 95 Ca -0.26 -0.23 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 2omo s TYR 95 Cb 0.05 -0.52 -0.02 0.00 -0.40 0.00 0.00 41.96 41.07 2omo s TYR 95 CO 0.64 -0.01 1.11 -1.25 -1.57 0.00 0.00 175.55 174.47 2omo s PRO 96 N -0.58 2.97 0.00 -1.71 0.04 -1.26 -5.12 135.00 129.33 2omo s PRO 96 Ca 0.01 1.45 0.26 0.00 0.04 0.00 0.00 61.00 62.76 2omo s PRO 96 Cb -0.05 -1.97 1.54 0.00 0.04 0.00 0.00 34.50 34.06 2omo s PRO 96 CO 0.00 -1.12 1.89 0.25 0.04 0.00 0.00 177.00 178.06