#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omo n HIS 0 N 0.00 0.00 -3.74 1.61 8.25 -0.59 -4.99 115.22 115.76 2omo n HIS 0 Ca 0.00 -0.33 -0.22 0.00 -0.26 0.00 0.00 57.72 56.90 2omo n HIS 0 Cb 0.00 -0.06 -0.18 0.00 1.12 0.00 0.00 29.99 30.87 2omo n HIS 0 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2omo s TYR 2 N -0.88 0.49 -0.11 4.41 5.04 0.61 -4.82 117.35 122.10 2omo s TYR 2 Ca 0.08 -0.06 0.03 0.00 -2.44 0.00 0.00 57.07 54.67 2omo s TYR 2 Cb 0.07 -0.71 0.01 0.00 0.35 0.00 0.00 41.96 41.67 2omo s TYR 2 CO 0.01 -0.30 -0.21 0.08 -1.34 0.00 0.00 175.55 173.79 2omo s VAL 3 N 2.03 1.88 -0.22 3.14 1.01 -0.24 -0.67 120.40 127.33 2omo s VAL 3 Ca 0.05 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 2omo s VAL 3 Cb -0.12 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2omo s VAL 3 CO -0.05 0.52 -0.01 -0.89 0.00 0.00 0.00 175.10 174.67 2omo s THR 4 N 0.62 3.72 -0.33 3.92 2.01 0.49 -0.19 115.64 125.88 2omo s THR 4 Ca -0.13 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 2omo s THR 4 Cb -0.16 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 2omo s THR 4 CO 0.03 0.41 0.20 -0.63 -0.69 0.00 0.00 174.62 173.95 2omo s ILE 5 N 1.30 4.91 -0.21 1.82 1.01 -0.11 -0.83 121.20 129.09 2omo s ILE 5 Ca 0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 2omo s ILE 5 Cb -0.15 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2omo s ILE 5 CO 0.00 -0.00 0.07 -0.69 0.00 0.00 0.00 174.94 174.31 2omo s VAL 6 N 1.66 4.61 -0.23 2.92 1.01 0.03 -0.91 120.40 129.48 2omo s VAL 6 Ca 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 2omo s VAL 6 Cb -0.17 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2omo s VAL 6 CO 0.08 0.41 0.06 -0.31 0.00 0.00 0.00 175.10 175.35 2omo s TYR 7 N 0.86 3.13 -0.09 5.22 2.02 0.25 -0.78 117.35 127.96 2omo s TYR 7 Ca 0.04 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2omo s TYR 7 Cb -0.14 -2.18 0.01 0.00 -0.40 0.00 0.00 41.96 39.25 2omo s TYR 7 CO 0.02 -0.19 -0.19 0.00 -1.57 0.00 0.00 175.55 173.62 2omo s ALA 8 N 1.20 1.79 -0.23 3.71 0.00 -0.48 -1.78 121.76 125.96 2omo s ALA 8 Ca 0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 2omo s ALA 8 Cb -0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2omo s ALA 8 CO 0.03 0.21 -0.02 -1.12 0.00 0.00 0.00 175.76 174.86 2omo s SER 9 N 0.49 4.48 -0.02 0.00 0.01 -1.26 -0.66 113.70 116.73 2omo s SER 9 Ca -0.17 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 56.64 2omo s SER 9 Cb -0.17 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2omo s SER 9 CO 0.07 -0.05 0.04 -0.69 0.41 0.00 0.00 173.24 173.02 2omo s VAL 10 N 1.48 4.52 0.45 3.43 1.01 0.00 0.53 120.40 131.82 2omo s VAL 10 Ca 0.05 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 2omo s VAL 10 Cb -0.15 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 2omo s VAL 10 CO -0.02 0.42 1.45 -0.54 0.00 0.00 0.00 175.10 176.41 2omo s LYS 11 N -1.49 3.67 0.60 2.72 1.02 0.74 -4.57 119.74 122.44 2omo s LYS 11 Ca 0.20 2.46 0.34 0.00 0.02 0.00 0.00 55.97 58.98 2omo s LYS 11 Cb -0.12 -2.66 1.92 0.00 -0.52 0.00 0.00 37.83 36.46 2omo s LYS 11 CO 0.10 -0.85 2.25 1.79 -0.92 0.00 0.00 175.35 177.73 2omo h THR 12 N 2.31 0.36 -0.36 2.17 1.35 -1.96 -0.59 112.91 116.20 2omo h THR 12 Ca -0.51 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2omo h THR 12 Cb 1.27 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2omo h THR 12 CO 0.61 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 2omo n ASP 13 N -3.57 3.11 -0.06 5.36 5.75 -1.26 -4.35 116.55 121.53 2omo n ASP 13 Ca -0.03 -1.94 0.04 0.00 -0.01 0.00 0.00 54.79 52.84 2omo n ASP 13 Cb 0.11 -0.23 0.06 0.00 -1.03 0.00 0.00 41.12 40.03 2omo n ASP 13 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2omo n LYS 14 N 1.26 2.45 -0.07 0.11 4.76 -0.23 -4.77 118.16 121.67 2omo n LYS 14 Ca 0.19 -1.89 -0.15 0.00 -2.87 0.00 0.00 58.31 53.59 2omo n LYS 14 Cb 0.55 -1.18 -0.03 0.00 -1.84 0.00 0.00 35.03 32.52 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 0.12 1.28 -0.45 -0.18 1.35 -1.76 0.20 112.91 113.47 2omo h THR 15 Ca 0.00 -1.74 -0.04 0.00 -0.55 0.00 0.00 66.41 64.09 2omo h THR 15 Cb 0.69 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.72 2omo h THR 15 CO 0.00 0.57 0.14 -0.33 -0.25 0.00 0.00 175.52 175.65 2omo h GLU 16 N 0.66 0.69 -0.55 4.72 4.39 -1.93 -0.28 114.58 122.28 2omo h GLU 16 Ca 0.01 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2omo h GLU 16 Cb 1.16 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 2omo h GLU 16 CO 0.12 0.67 0.14 0.00 -1.16 0.00 0.00 179.01 178.78 2omo h ALA 17 N 0.99 0.73 -0.34 3.43 0.00 -1.86 -2.01 119.26 120.20 2omo h ALA 17 Ca 0.14 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2omo h ALA 17 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2omo h ALA 17 CO -0.00 0.43 0.18 0.35 0.00 0.00 0.00 179.25 180.20 2omo h PHE 18 N 0.78 0.33 -0.26 0.00 3.57 -0.85 -1.44 116.94 119.08 2omo h PHE 18 Ca 0.17 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 2omo h PHE 18 Cb 0.34 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2omo h PHE 18 CO 0.02 0.18 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.04 2omo h LYS 19 N 0.37 0.05 -0.24 1.11 3.64 -0.80 -0.61 116.57 120.09 2omo h LYS 19 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2omo h LYS 19 Cb 0.04 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2omo h LYS 19 CO -0.09 0.03 0.15 1.49 -2.27 0.00 0.00 179.45 178.77 2omo h GLU 20 N 0.05 0.32 -0.48 1.90 4.57 -1.25 0.26 114.58 119.94 2omo h GLU 20 Ca 0.12 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2omo h GLU 20 Cb 0.17 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2omo h GLU 20 CO -0.23 0.23 0.13 0.00 -1.18 0.00 0.00 179.01 177.96 2omo h ALA 21 N 1.07 1.33 -0.08 2.92 0.00 -1.09 -2.93 119.26 120.48 2omo h ALA 21 Ca 0.09 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2omo h ALA 21 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2omo h ALA 21 CO -0.02 0.48 -0.81 1.15 0.00 0.00 0.00 179.25 180.05 2omo h THR 22 N 0.70 1.35 0.00 0.00 2.02 -0.80 -2.65 112.91 113.53 2omo h THR 22 Ca 0.16 -2.16 0.00 0.00 0.77 0.00 0.00 66.41 65.18 2omo h THR 22 Cb 0.24 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2omo h THR 22 CO -0.01 0.66 0.00 -1.14 0.37 0.00 0.00 175.52 175.40 2omo n ARG 23 N -3.85 0.00 0.00 6.66 0.63 0.88 -0.32 116.66 120.67 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 0.76 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.95 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 0.24 0.00 0.03 6.15 5.15 -1.00 -0.54 115.26 125.28 2omo n ASN 25 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 2omo n ASN 25 Cb 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.21 2omo n ASN 25 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 2omo h HIS 26 N 0.00 -0.58 -0.52 1.20 2.76 -0.96 0.57 115.15 117.62 2omo h HIS 26 Ca 0.00 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2omo h HIS 26 Cb 0.00 0.27 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 2omo h HIS 26 CO 0.00 -0.30 0.31 0.93 -1.30 0.00 0.00 177.93 177.57 2omo h GLU 27 N -0.31 0.70 0.05 5.26 5.08 -1.07 -1.95 114.58 122.35 2omo h GLU 27 Ca 0.08 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 2omo h GLU 27 Cb 0.43 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2omo h GLU 27 CO -0.25 0.49 -1.39 1.96 -1.00 0.00 0.00 179.01 178.82 2omo h GLN 28 N 0.71 0.11 -0.14 2.33 4.20 -1.77 -3.37 115.11 117.19 2omo h GLN 28 Ca 0.19 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 2omo h GLN 28 Cb -0.03 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2omo h GLN 28 CO -0.04 0.94 -0.52 0.77 -0.67 0.00 0.00 178.83 179.31 2omo h SER 29 N 0.03 0.43 0.47 1.46 0.02 -0.29 -2.82 113.55 112.85 2omo h SER 29 Ca -0.17 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2omo h SER 29 Cb 1.93 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2omo h SER 29 CO 0.13 0.88 0.00 2.30 -1.14 0.00 0.00 176.83 179.00 2omo n ILE 30 N -3.95 1.08 0.94 3.27 -5.35 -0.79 -1.64 119.36 112.92 2omo n ILE 30 Ca -0.02 0.29 0.12 0.00 -0.27 0.00 0.00 62.75 62.86 2omo n ILE 30 Cb 0.57 -1.10 0.26 0.00 -1.74 0.00 0.00 39.64 37.64 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 -1.64 2.15 -2.55 6.28 1.74 -1.07 -4.88 116.66 116.69 2omo n ARG 31 Ca 0.03 -1.70 -0.40 0.00 -0.77 0.00 0.00 57.85 55.01 2omo n ARG 31 Cb 0.16 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.81 4.70 0.18 5.56 2.02 -0.65 -4.97 118.70 123.73 2omo s GLU 32 Ca 0.34 1.71 -0.33 0.00 0.02 0.00 0.00 54.97 56.71 2omo s GLU 32 Cb 0.21 -3.22 -0.14 0.00 0.10 0.00 0.00 34.13 31.08 2omo s GLU 32 CO 0.30 0.30 1.45 -2.30 0.02 0.00 0.00 175.26 175.03 2omo n PRO 33 N 1.29 1.90 0.00 0.39 -0.02 -1.26 -1.58 135.00 135.72 2omo n PRO 33 Ca -0.01 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2omo n PRO 33 Cb 0.45 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 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 2.70 2.26 3.65 -1.23 0.00 -1.26 -4.90 105.19 106.40 2omo n GLY 34 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.49 2.61 0.68 1.61 3.84 -0.61 -0.41 114.94 120.17 2omo s ASN 35 Ca 0.00 1.55 -0.17 0.00 0.21 0.00 0.00 52.86 54.45 2omo s ASN 35 Cb 0.00 -2.21 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 2omo s ASN 35 CO 0.00 -3.19 1.16 0.54 -2.79 0.00 0.00 177.10 172.82 2omo n ARG 37 N -4.25 0.80 -2.92 0.43 3.00 -0.85 -4.89 116.66 107.99 2omo n ARG 37 Ca 0.06 0.33 -0.13 0.00 -0.01 0.00 0.00 57.85 58.11 2omo n ARG 37 Cb 0.55 -2.40 0.02 0.00 0.00 0.00 0.00 32.46 30.64 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 -2.25 -0.49 -2.34 -1.55 7.35 -1.21 -0.97 117.46 116.00 2omo n PHE 38 Ca 0.15 -3.03 -0.41 0.00 -0.76 0.00 0.00 57.45 53.40 2omo n PHE 38 Cb 0.49 0.22 -0.03 0.00 0.35 0.00 0.00 39.48 40.51 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 -2.23 7.06 -0.21 -2.13 1.01 -0.64 -4.79 116.67 114.74 2omo s ASP 39 Ca 0.31 2.35 -0.04 0.00 0.71 0.00 0.00 52.55 55.89 2omo s ASP 39 Cb 0.37 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 2omo s ASP 39 CO -0.05 -0.35 -0.04 -0.63 0.21 0.00 0.00 175.17 174.31 2omo s ILE 40 N -0.56 3.41 0.06 0.77 -1.09 -1.26 -0.89 121.20 121.65 2omo s ILE 40 Ca 0.50 -0.48 0.08 0.00 -2.23 0.00 0.00 60.65 58.51 2omo s ILE 40 Cb -0.34 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 2omo s ILE 40 CO 0.41 0.43 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.58 2omo s LEU 41 N 1.36 2.21 -0.14 2.97 1.43 0.20 -4.99 118.68 121.72 2omo s LEU 41 Ca 0.04 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2omo s LEU 41 Cb -0.14 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 2omo s LEU 41 CO -0.02 0.13 -0.16 -1.58 0.23 0.00 0.00 176.35 174.95 2omo s GLN 42 N -1.42 3.25 0.24 1.70 0.74 -1.26 -1.10 119.66 121.80 2omo s GLN 42 Ca 0.07 -0.74 -0.31 0.00 0.05 0.00 0.00 55.36 54.42 2omo s GLN 42 Cb -0.09 -2.59 -0.13 0.00 1.10 0.00 0.00 33.01 31.30 2omo s GLN 42 CO 0.03 0.10 1.50 0.45 -0.55 0.00 0.00 175.29 176.82 2omo n SER 43 N 3.82 3.17 0.09 6.67 2.88 0.35 -4.92 113.62 125.68 2omo n SER 43 Ca -0.19 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.45 2omo n SER 43 Cb 0.52 -1.48 0.17 0.00 -0.75 0.00 0.00 64.21 62.67 2omo n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2omo h ALA 44 N 4.80 0.98 0.00 -1.46 0.00 -1.99 -3.20 119.26 118.39 2omo h ALA 44 Ca -0.45 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 53.87 2omo h ALA 44 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2omo h ALA 44 CO 0.80 0.66 -0.53 -0.44 0.00 0.00 0.00 179.25 179.74 2omo h ASP 45 N 0.20 0.00 -1.69 0.00 3.32 -1.97 -3.44 116.42 112.84 2omo h ASP 45 Ca 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2omo h ASP 45 Cb 0.95 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.24 2omo h ASP 45 CO 0.08 0.53 -0.37 -0.62 -1.72 0.00 0.00 179.24 177.13 2omo s ASP 46 N -6.59 -0.45 0.00 6.45 -1.08 -1.21 -5.04 116.67 108.75 2omo s ASP 46 Ca 0.00 0.63 0.14 0.00 -0.52 0.00 0.00 52.55 52.80 2omo s ASP 46 Cb 0.11 1.57 0.64 0.00 -1.46 0.00 0.00 42.92 43.78 2omo s ASP 46 CO 0.73 -0.27 1.41 -0.81 0.52 0.00 0.00 175.17 176.75 2omo n PRO 47 N 5.39 0.09 0.00 4.34 -0.04 -1.25 -0.96 135.00 142.56 2omo n PRO 47 Ca -0.04 0.22 0.14 0.00 -0.04 0.00 0.00 63.50 63.77 2omo n PRO 47 Cb 0.50 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.94 2omo n PRO 47 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2omo n THR 48 N -1.41 0.00 -4.23 0.52 -2.24 -1.26 -4.85 114.28 100.81 2omo n THR 48 Ca 0.05 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 2omo n THR 48 Cb 0.14 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.13 3.62 0.18 -0.78 1.81 -0.14 -0.82 118.95 120.70 2omo s ARG 49 Ca 0.34 -0.41 0.04 0.00 -1.72 0.00 0.00 55.73 53.98 2omo s ARG 49 Cb 0.21 -3.01 -0.05 0.00 -0.45 0.00 0.00 34.95 31.65 2omo s ARG 49 CO 0.38 0.38 -0.07 -0.06 -0.68 0.00 0.00 175.30 175.25 2omo s PHE 50 N 0.02 1.39 -0.01 -0.53 0.08 0.16 -0.50 117.98 118.59 2omo s PHE 50 Ca 0.03 -0.79 0.03 0.00 0.12 0.00 0.00 56.93 56.32 2omo s PHE 50 Cb -0.13 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 2omo s PHE 50 CO 0.02 0.07 -0.11 0.08 -0.10 0.00 0.00 175.22 175.17 2omo s VAL 51 N -3.33 0.91 -0.28 -0.44 1.01 -0.26 -1.39 120.40 116.62 2omo s VAL 51 Ca 0.21 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 2omo s VAL 51 Cb 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.67 2omo s VAL 51 CO 0.03 0.26 0.02 -0.76 0.00 0.00 0.00 175.10 174.65 2omo s LEU 52 N -0.21 3.64 -0.56 3.92 1.02 0.04 -0.63 118.68 125.90 2omo s LEU 52 Ca 0.03 -0.89 -0.18 0.00 0.02 0.00 0.00 54.13 53.12 2omo s LEU 52 Cb -0.05 -1.77 0.11 0.00 0.02 0.00 0.00 46.19 44.50 2omo s LEU 52 CO -0.00 -0.19 0.60 -0.47 0.02 0.00 0.00 176.35 176.31 2omo s TYR 53 N 1.39 3.11 -0.40 0.29 5.04 -0.07 -0.79 117.35 125.93 2omo s TYR 53 Ca 0.00 -1.08 -0.08 0.00 -2.44 0.00 0.00 57.07 53.47 2omo s TYR 53 Cb -0.18 -3.87 0.07 0.00 0.35 0.00 0.00 41.96 38.33 2omo s TYR 53 CO -0.01 -1.15 0.21 -1.21 -1.34 0.00 0.00 175.55 172.06 2omo s GLU 54 N 2.19 2.56 -0.12 4.97 2.02 -0.01 -1.62 118.70 128.68 2omo s GLU 54 Ca 0.08 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 53.67 2omo s GLU 54 Cb -0.26 -3.68 -0.01 0.00 0.10 0.00 0.00 34.13 30.27 2omo s GLU 54 CO 0.05 -0.89 -0.16 0.00 0.02 0.00 0.00 175.26 174.28 2omo s ALA 55 N 1.40 2.49 0.17 5.21 0.00 -0.15 -0.38 121.76 130.49 2omo s ALA 55 Ca 0.02 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2omo s ALA 55 Cb -0.22 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 2omo s ALA 55 CO 0.02 0.23 -0.12 0.71 0.00 0.00 0.00 175.76 176.60 2omo s TYR 56 N 0.39 1.45 0.27 0.00 2.02 0.15 -2.00 117.35 119.63 2omo s TYR 56 Ca -0.13 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 55.87 2omo s TYR 56 Cb -0.16 -0.71 0.36 0.00 -0.40 0.00 0.00 41.96 41.05 2omo s TYR 56 CO 0.06 0.19 1.86 -0.22 -1.57 0.00 0.00 175.55 175.87 2omo h LYS 57 N 2.75 1.00 -4.26 -0.62 1.63 -1.03 0.18 116.57 116.21 2omo h LYS 57 Ca -0.37 -0.15 -0.14 0.00 -0.85 0.00 0.00 60.65 59.14 2omo h LYS 57 Cb 1.20 -0.18 -0.15 0.00 -0.60 0.00 0.00 32.23 32.51 2omo h LYS 57 CO 0.62 0.79 -0.64 0.95 -3.45 0.00 0.00 179.45 177.72 2omo s THR 58 N -5.51 0.18 0.34 1.00 -4.23 -1.26 -4.10 115.64 102.06 2omo s THR 58 Ca -0.11 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 2omo s THR 58 Cb 0.16 -1.68 0.29 0.00 1.34 0.00 0.00 72.50 72.61 2omo s THR 58 CO 0.81 -0.80 1.94 -0.09 -0.54 0.00 0.00 174.62 175.94 2omo h ARG 59 N 3.03 0.85 -0.56 3.99 2.43 -1.91 -1.51 114.38 120.69 2omo h ARG 59 Ca -0.34 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 2omo h ARG 59 Cb 1.16 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 2omo h ARG 59 CO 0.63 0.56 0.26 -0.22 -1.51 0.00 0.00 179.97 179.68 2omo h LYS 60 N 0.87 0.47 -0.80 0.20 3.64 -1.99 0.02 116.57 118.98 2omo h LYS 60 Ca 0.34 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 2omo h LYS 60 Cb 0.22 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2omo h LYS 60 CO -0.12 0.31 0.39 -0.44 -2.27 0.00 0.00 179.45 177.32 2omo h ASP 61 N 0.48 1.05 -0.72 4.20 3.32 -1.64 -0.34 116.42 122.77 2omo h ASP 61 Ca 0.26 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2omo h ASP 61 Cb 0.23 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2omo h ASP 61 CO -0.21 0.89 0.38 0.00 -1.72 0.00 0.00 179.24 178.57 2omo h ALA 62 N 1.20 0.92 -0.49 3.45 0.00 -0.99 -1.71 119.26 121.64 2omo h ALA 62 Ca 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2omo h ALA 62 Cb 0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2omo h ALA 62 CO -0.03 0.45 0.26 0.00 0.00 0.00 0.00 179.25 179.92 2omo h ALA 63 N 1.19 0.63 -0.58 0.00 0.00 -0.71 -2.67 119.26 117.13 2omo h ALA 63 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2omo h ALA 63 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2omo h ALA 63 CO -0.04 0.17 0.38 0.00 0.00 0.00 0.00 179.25 179.76 2omo h ALA 64 N 1.10 1.63 -0.87 0.00 0.00 -0.71 -2.49 119.26 117.92 2omo h ALA 64 Ca 0.17 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.19 2omo h ALA 64 Cb 0.07 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 2omo h ALA 64 CO -0.03 0.33 0.47 1.25 0.00 0.00 0.00 179.25 181.28 2omo h HIS 65 N 0.75 0.83 0.00 0.00 6.17 -0.96 -0.98 115.15 120.96 2omo h HIS 65 Ca 0.22 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.33 2omo h HIS 65 Cb -0.03 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 29.66 2omo h HIS 65 CO -0.00 0.22 0.00 1.63 0.71 0.00 0.00 177.93 180.49 2omo n LYS 66 N -4.83 0.21 0.00 5.26 5.02 -0.94 -2.07 118.16 120.81 2omo n LYS 66 Ca 0.17 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.68 2omo n LYS 66 Cb 0.43 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.35 1.75 -2.52 1.97 1.02 -0.38 -4.74 120.64 116.40 2omo n GLU 67 Ca 0.09 -1.44 -0.37 0.00 -0.02 0.00 0.00 57.16 55.41 2omo n GLU 67 Cb 0.19 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.20 3.67 0.19 2.62 -4.23 -0.88 -4.95 115.64 109.87 2omo s THR 68 Ca 0.23 1.28 -0.12 0.00 -1.18 0.00 0.00 61.69 61.90 2omo s THR 68 Cb 0.19 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.49 2omo s THR 68 CO 0.43 0.01 1.71 0.00 -0.54 0.00 0.00 174.62 176.23 2omo h ALA 69 N 2.49 0.60 -0.47 3.99 0.00 -1.94 -1.43 119.26 122.50 2omo h ALA 69 Ca -0.48 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2omo h ALA 69 Cb 1.22 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2omo h ALA 69 CO 0.62 -0.31 0.01 1.12 0.00 0.00 0.00 179.25 180.69 2omo h HIS 70 N 0.24 0.81 0.09 0.00 2.07 -1.93 -0.00 115.15 116.43 2omo h HIS 70 Ca 0.27 -0.11 -0.00 0.00 -2.85 0.00 0.00 60.37 57.68 2omo h HIS 70 Cb 0.38 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 30.13 2omo h HIS 70 CO -0.24 0.75 -0.04 -0.92 -3.07 0.00 0.00 177.93 174.41 2omo h TYR 71 N 0.72 -0.11 -0.85 6.12 3.20 -1.72 -1.53 116.97 122.80 2omo h TYR 71 Ca 0.14 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2omo h TYR 71 Cb 0.43 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 2omo h TYR 71 CO 0.02 0.01 0.55 -0.07 -1.64 0.00 0.00 178.16 177.03 2omo h LEU 72 N -0.21 0.98 0.00 2.82 3.38 -0.98 0.23 115.31 121.53 2omo h LEU 72 Ca -0.01 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2omo h LEU 72 Cb 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2omo h LEU 72 CO 0.02 0.72 -0.00 0.74 0.09 0.00 0.00 178.44 180.01 2omo h THR 73 N 1.15 1.12 0.07 0.22 2.02 -0.99 -1.58 112.91 114.92 2omo h THR 73 Ca 0.31 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2omo h THR 73 Cb -0.12 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 2omo h THR 73 CO -0.07 0.09 -0.14 -0.25 0.37 0.00 0.00 175.52 175.53 2omo h TRP 74 N -0.15 -0.35 -0.42 3.16 7.01 -0.75 -0.48 115.95 123.96 2omo h TRP 74 Ca -0.00 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.09 2omo h TRP 74 Cb 0.15 0.15 -0.08 0.00 -2.10 0.00 0.00 29.16 27.28 2omo h TRP 74 CO -0.03 -0.21 -0.06 -0.09 -2.79 0.00 0.00 178.44 175.26 2omo h ARG 75 N -0.27 0.04 -0.19 2.65 2.43 -0.46 -0.97 114.38 117.62 2omo h ARG 75 Ca 0.02 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2omo h ARG 75 Cb 0.29 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2omo h ARG 75 CO -0.08 0.02 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.65 2omo h ASP 76 N 0.04 0.38 -0.24 -3.80 3.32 -1.13 -2.89 116.42 112.10 2omo h ASP 76 Ca 0.20 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2omo h ASP 76 Cb 0.31 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2omo h ASP 76 CO -0.40 0.68 -0.24 0.74 -1.72 0.00 0.00 179.24 178.30 2omo h THR 77 N 0.33 1.32 -0.02 0.35 2.02 -0.42 -3.27 112.91 113.21 2omo h THR 77 Ca 0.04 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.81 2omo h THR 77 Cb 0.72 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2omo h THR 77 CO 0.05 0.44 -0.02 1.33 0.37 0.00 0.00 175.52 177.70 2omo n VAL 78 N -4.36 0.00 -0.25 3.16 0.24 -0.43 -4.48 118.33 112.21 2omo n VAL 78 Ca -0.05 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 61.98 2omo n VAL 78 Cb 0.44 0.57 0.11 0.00 -1.47 0.00 0.00 33.84 33.49 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 4.34 0.96 -0.21 2.33 0.00 -1.56 -0.11 119.26 125.02 2omo h ALA 79 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2omo h ALA 79 Cb 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2omo h ALA 79 CO 0.00 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 2omo n ASP 80 N -4.76 1.39 -3.87 0.00 8.00 -1.26 -5.01 116.55 111.05 2omo n ASP 80 Ca 0.09 -1.83 -0.37 0.00 0.71 0.00 0.00 54.79 53.39 2omo n ASP 80 Cb 0.18 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.20 3.24 0.00 1.24 8.01 -0.06 -4.99 117.44 125.08 2omo n TRP 81 Ca 0.12 -3.44 0.00 0.00 -1.31 0.00 0.00 57.50 52.87 2omo n TRP 81 Cb 0.25 -1.05 0.00 0.00 -2.01 0.00 0.00 31.31 28.50 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 1.44 1.18 -2.28 6.99 0.00 0.19 -0.19 120.51 127.84 2omo n ALA 83 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 2omo n ALA 83 Cb 0.37 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.02 0.97 0.33 0.00 -1.05 -1.23 -5.02 118.70 111.68 2omo s GLU 84 Ca 0.00 -1.37 -0.29 0.00 -0.15 0.00 0.00 54.97 53.16 2omo s GLU 84 Cb 0.00 0.27 -0.11 0.00 -0.44 0.00 0.00 34.13 33.85 2omo s GLU 84 CO 0.00 -0.29 1.55 -2.14 0.95 0.00 0.00 175.26 175.33 2omo s PRO 85 N -4.03 4.11 0.50 -4.83 0.02 -1.26 -4.57 135.00 124.94 2omo s PRO 85 Ca 0.22 2.58 -0.23 0.00 0.02 0.00 0.00 61.00 63.59 2omo s PRO 85 Cb 0.07 -3.00 -0.06 0.00 0.02 0.00 0.00 34.50 31.52 2omo s PRO 85 CO 0.01 -0.60 1.36 1.03 -0.33 0.00 0.00 177.00 178.47 2omo s ARG 86 N -1.17 3.43 -0.08 5.54 0.52 -1.26 -4.88 118.95 121.05 2omo s ARG 86 Ca 0.59 2.25 0.04 0.00 -0.52 0.00 0.00 55.73 58.09 2omo s ARG 86 Cb -0.47 -2.44 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 2omo s ARG 86 CO 0.54 -0.96 -0.22 0.15 0.02 0.00 0.00 175.30 174.83 2omo s LYS 87 N -2.69 2.65 -0.13 3.54 -0.14 -0.74 -4.98 119.74 117.26 2omo s LYS 87 Ca 0.66 -0.82 -0.02 0.00 -1.36 0.00 0.00 55.97 54.44 2omo s LYS 87 Cb -0.40 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 2omo s LYS 87 CO 0.49 0.23 -0.06 0.20 -0.76 0.00 0.00 175.35 175.46 2omo s GLY 88 N 0.20 1.69 -0.10 -3.33 0.00 -1.26 -0.58 107.32 103.94 2omo s GLY 88 Ca -0.13 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.78 2omo s GLY 88 CO 0.06 -0.25 -0.22 0.14 0.00 0.00 0.00 173.10 172.83 2omo s VAL 89 N 0.03 1.92 -0.10 1.40 1.01 -0.09 -4.95 120.40 119.62 2omo s VAL 89 Ca -0.01 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 2omo s VAL 89 Cb -0.14 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2omo s VAL 89 CO 0.03 0.53 0.25 -0.63 0.00 0.00 0.00 175.10 175.28 2omo s ILE 90 N 0.43 5.32 0.08 2.22 1.01 -1.26 -0.93 121.20 128.07 2omo s ILE 90 Ca -0.17 0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.97 2omo s ILE 90 Cb -0.17 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2omo s ILE 90 CO 0.07 0.54 -0.09 -0.31 0.00 0.00 0.00 174.94 175.16 2omo s TYR 91 N -0.58 0.91 -0.10 3.97 2.02 0.73 -5.02 117.35 119.28 2omo s TYR 91 Ca 0.17 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.17 2omo s TYR 91 Cb -0.13 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2omo s TYR 91 CO 0.06 -0.06 0.05 0.20 -1.57 0.00 0.00 175.55 174.23 2omo s GLY 92 N -2.31 1.96 -0.25 0.71 0.00 -1.26 -1.08 107.32 105.09 2omo s GLY 92 Ca 0.02 -0.75 -0.23 0.00 0.00 0.00 0.00 44.72 43.76 2omo s GLY 92 CO -0.01 -0.51 0.77 -0.32 0.00 0.00 0.00 173.10 173.03 2omo s GLY 93 N -0.95 1.77 -0.05 0.20 0.00 -1.26 -4.93 107.32 102.09 2omo s GLY 93 Ca 0.14 -0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2omo s GLY 93 CO 0.03 1.70 0.74 1.41 0.00 0.00 0.00 173.10 176.98 2omo h LEU 94 N 9.13 0.54 -7.69 0.66 3.38 -1.97 -1.56 115.31 117.79 2omo h LEU 94 Ca -0.24 -0.91 -0.21 0.00 0.09 0.00 0.00 57.88 56.61 2omo h LEU 94 Cb 1.10 -0.18 -0.27 0.00 0.09 0.00 0.00 40.66 41.41 2omo h LEU 94 CO 0.85 1.62 -0.64 -0.31 0.09 0.00 0.00 178.44 180.05 2omo s TYR 95 N -2.51 -0.04 0.81 1.13 2.02 -1.26 -4.36 117.35 113.14 2omo s TYR 95 Ca -0.16 0.11 -0.12 0.00 -0.37 0.00 0.00 57.07 56.54 2omo s TYR 95 Cb 0.04 0.01 0.08 0.00 -0.40 0.00 0.00 41.96 41.69 2omo s TYR 95 CO 0.83 -0.06 1.15 -1.25 -1.57 0.00 0.00 175.55 174.65 2omo s PRO 96 N -0.15 1.78 0.00 -1.71 0.04 -1.26 -5.14 135.00 128.56 2omo s PRO 96 Ca -0.02 1.50 0.17 0.00 0.04 0.00 0.00 61.00 62.69 2omo s PRO 96 Cb -0.02 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.84 2omo s PRO 96 CO 0.00 -2.06 1.03 -2.37 0.04 0.00 0.00 177.00 173.65