#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 4.27 -4.79 1.20 4.77 -1.26 -4.95 117.00 116.24 2omo n LEU -5 Ca 0.00 -2.19 -0.38 0.00 -0.03 0.00 0.00 56.01 53.41 2omo n LEU -5 Cb 0.00 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2omo n LEU -5 CO 0.00 0.91 0.43 -0.31 -1.33 0.00 0.00 177.39 177.09 2omo s TYR -4 N -1.35 3.81 0.25 -1.77 2.02 -1.26 -5.06 117.35 113.99 2omo s TYR -4 Ca 0.49 1.50 0.02 0.00 -0.37 0.00 0.00 57.07 58.72 2omo s TYR -4 Cb 0.28 -2.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.13 2omo s TYR -4 CO 0.29 0.47 0.41 -0.06 -1.57 0.00 0.00 175.55 175.09 2omo s PHE -3 N -1.26 3.47 0.18 2.71 0.08 -1.26 -5.07 117.98 116.84 2omo s PHE -3 Ca 0.37 0.16 -0.32 0.00 0.12 0.00 0.00 56.93 57.26 2omo s PHE -3 Cb -0.20 -1.72 -0.12 0.00 -0.57 0.00 0.00 43.02 40.41 2omo s PHE -3 CO 0.23 0.35 1.74 1.04 -0.10 0.00 0.00 175.22 178.49 2omo n GLN -2 N -1.26 2.72 -2.43 0.44 3.00 -1.26 -5.00 117.38 113.58 2omo n GLN -2 Ca -0.07 0.98 -0.32 0.00 -0.01 0.00 0.00 57.00 57.59 2omo n GLN -2 Cb 0.56 -2.84 -0.03 0.00 0.00 0.00 0.00 30.24 27.93 2omo n GLN -2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2omo s GLY -1 N 1.55 2.00 -0.10 1.08 0.00 -1.26 -4.71 107.32 105.88 2omo s GLY -1 Ca 0.77 0.08 0.14 0.00 0.00 0.00 0.00 44.72 45.72 2omo s GLY -1 CO 0.34 0.34 1.11 1.42 0.00 0.00 0.00 173.10 176.32 2omo n HIS 0 N -1.64 0.00 -3.72 1.90 8.25 0.19 -4.91 115.22 115.28 2omo n HIS 0 Ca 0.06 -0.76 -0.22 0.00 -0.26 0.00 0.00 57.72 56.53 2omo n HIS 0 Cb 0.54 -0.13 -0.18 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.19 0.40 -0.03 4.41 5.04 0.69 -4.84 117.35 120.83 2omo s TYR 2 Ca 0.24 -0.01 0.06 0.00 -2.44 0.00 0.00 57.07 54.93 2omo s TYR 2 Cb 0.21 -0.67 -0.01 0.00 0.35 0.00 0.00 41.96 41.84 2omo s TYR 2 CO 0.02 -0.28 -0.21 0.08 -1.34 0.00 0.00 175.55 173.81 2omo s VAL 3 N 2.06 1.71 -0.16 3.14 1.01 -0.73 -0.60 120.40 126.83 2omo s VAL 3 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2omo s VAL 3 Cb -0.12 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.85 2omo s VAL 3 CO -0.04 0.48 -0.12 -0.89 0.00 0.00 0.00 175.10 174.53 2omo s THR 4 N -0.37 1.50 -0.31 3.92 2.01 -0.17 -0.15 115.64 122.08 2omo s THR 4 Ca 0.05 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.15 2omo s THR 4 Cb -0.10 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2omo s THR 4 CO 0.00 0.34 0.55 -0.63 -0.69 0.00 0.00 174.62 174.19 2omo s ILE 5 N 1.49 5.01 -0.23 1.82 1.01 0.23 -1.63 121.20 128.91 2omo s ILE 5 Ca 0.03 0.68 -0.08 0.00 0.00 0.00 0.00 60.65 61.27 2omo s ILE 5 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2omo s ILE 5 CO -0.09 -0.09 0.09 -0.69 0.00 0.00 0.00 174.94 174.15 2omo s VAL 6 N 2.44 4.61 -0.23 2.92 1.01 0.68 -0.69 120.40 131.14 2omo s VAL 6 Ca 0.21 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2omo s VAL 6 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2omo s VAL 6 CO 0.12 0.36 0.12 -0.31 0.00 0.00 0.00 175.10 175.38 2omo s TYR 7 N 1.26 3.26 -0.09 5.22 2.02 0.11 -0.57 117.35 128.57 2omo s TYR 7 Ca 0.05 0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.85 2omo s TYR 7 Cb -0.14 -2.21 0.02 0.00 -0.40 0.00 0.00 41.96 39.22 2omo s TYR 7 CO 0.04 0.02 -0.13 0.00 -1.57 0.00 0.00 175.55 173.92 2omo s ALA 8 N 0.95 1.44 -0.22 3.71 0.00 0.12 -2.00 121.76 125.76 2omo s ALA 8 Ca 0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2omo s ALA 8 Cb -0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2omo s ALA 8 CO 0.03 -0.03 0.02 -1.12 0.00 0.00 0.00 175.76 174.67 2omo s SER 9 N 0.93 4.91 0.03 0.00 0.01 -1.26 -0.46 113.70 117.86 2omo s SER 9 Ca -0.09 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 56.99 2omo s SER 9 Cb -0.15 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2omo s SER 9 CO 0.00 0.02 -0.02 -0.69 0.41 0.00 0.00 173.24 172.96 2omo s VAL 10 N 1.26 3.94 0.32 3.43 1.01 -0.38 -0.25 120.40 129.73 2omo s VAL 10 Ca 0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 2omo s VAL 10 Cb -0.15 -2.78 -0.12 0.00 0.00 0.00 0.00 36.38 33.33 2omo s VAL 10 CO 0.02 0.31 1.36 0.29 0.00 0.00 0.00 175.10 177.08 2omo n LYS 11 N 1.21 2.23 -0.12 2.72 5.02 0.57 -4.57 118.16 125.22 2omo n LYS 11 Ca -0.14 0.78 0.20 0.00 -2.02 0.00 0.00 58.31 57.14 2omo n LYS 11 Cb 0.52 -2.42 0.61 0.00 -0.02 0.00 0.00 35.03 33.73 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 2.76 0.71 -0.53 -0.18 1.03 -1.96 -1.14 112.91 113.61 2omo h THR 12 Ca -0.46 -0.07 -0.05 0.00 -0.01 0.00 0.00 66.41 65.82 2omo h THR 12 Cb 1.27 0.50 -0.03 0.00 -1.07 0.00 0.00 68.15 68.82 2omo h THR 12 CO 0.67 0.04 0.06 -0.90 -0.01 0.00 0.00 175.52 175.37 2omo n ASP 13 N -4.41 5.00 -0.10 0.00 5.75 -1.26 -4.15 116.55 117.38 2omo n ASP 13 Ca 0.14 -3.05 0.02 0.00 -0.01 0.00 0.00 54.79 51.89 2omo n ASP 13 Cb 0.66 -0.66 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 0.11 1.27 -0.28 0.11 4.76 -0.43 -4.85 118.16 118.85 2omo n LYS 14 Ca 0.29 -1.32 -0.04 0.00 -2.87 0.00 0.00 58.31 54.36 2omo n LYS 14 Cb 1.16 -0.86 0.07 0.00 -1.84 0.00 0.00 35.03 33.56 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 2.06 1.20 -0.26 -0.18 1.35 -1.71 0.36 112.91 115.73 2omo h THR 15 Ca 0.00 -0.37 -0.20 0.00 -0.55 0.00 0.00 66.41 65.29 2omo h THR 15 Cb 0.90 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2omo h THR 15 CO 0.00 0.19 -0.61 -0.33 -0.25 0.00 0.00 175.52 174.53 2omo h GLU 16 N 1.05 0.87 -0.58 4.72 4.39 -1.92 -1.15 114.58 121.95 2omo h GLU 16 Ca 0.28 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 2omo h GLU 16 Cb -0.11 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2omo h GLU 16 CO -0.06 1.22 0.33 0.00 -1.16 0.00 0.00 179.01 179.33 2omo h ALA 17 N 0.65 0.74 -0.55 3.43 0.00 -1.83 -1.76 119.26 119.94 2omo h ALA 17 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2omo h ALA 17 Cb 1.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2omo h ALA 17 CO 0.13 0.25 0.01 0.35 0.00 0.00 0.00 179.25 179.99 2omo h PHE 18 N 0.78 1.06 -0.88 0.00 3.57 -0.09 -2.05 116.94 119.33 2omo h PHE 18 Ca 0.21 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2omo h PHE 18 Cb 0.03 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 2omo h PHE 18 CO -0.01 0.95 0.57 0.87 -2.23 0.00 0.00 178.31 178.46 2omo h LYS 19 N 0.85 1.08 -0.24 1.11 1.57 -0.94 -0.20 116.57 119.80 2omo h LYS 19 Ca 0.16 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2omo h LYS 19 Cb 0.53 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2omo h LYS 19 CO 0.03 0.71 -0.19 1.49 -0.57 0.00 0.00 179.45 180.92 2omo h GLU 20 N 1.11 0.56 -0.82 3.15 4.81 -1.07 0.26 114.58 122.59 2omo h GLU 20 Ca 0.34 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2omo h GLU 20 Cb -0.02 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2omo h GLU 20 CO -0.11 0.86 0.35 0.00 -0.73 0.00 0.00 179.01 179.38 2omo h ALA 21 N 0.69 1.07 0.00 2.92 0.00 -1.21 -2.81 119.26 119.92 2omo h ALA 21 Ca 0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2omo h ALA 21 Cb 0.73 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2omo h ALA 21 CO 0.05 0.67 -0.50 1.15 0.00 0.00 0.00 179.25 180.62 2omo h THR 22 N 1.18 1.08 0.00 0.00 2.02 -0.82 -2.85 112.91 113.52 2omo h THR 22 Ca 0.27 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.55 2omo h THR 22 Cb 0.19 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2omo h THR 22 CO -0.03 0.49 0.00 -1.14 0.37 0.00 0.00 175.52 175.21 2omo n ARG 23 N -3.55 0.00 0.00 6.66 0.63 0.06 -0.73 116.66 119.73 2omo n ARG 23 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2omo n ARG 23 Cb 0.60 -1.11 0.00 0.00 0.45 0.00 0.00 32.46 32.40 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 0.61 0.00 -0.03 6.15 5.15 -1.08 -0.94 115.26 125.12 2omo n ASN 25 Ca 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.90 2omo n ASN 25 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.21 -0.74 1.20 2.76 -1.23 0.86 115.15 117.79 2omo h HIS 26 Ca 0.00 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2omo h HIS 26 Cb 0.00 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 2omo h HIS 26 CO 0.00 -0.14 0.49 0.93 -1.30 0.00 0.00 177.93 177.91 2omo h GLU 27 N -0.07 0.86 0.12 5.26 5.08 -1.29 -1.37 114.58 123.17 2omo h GLU 27 Ca 0.10 -0.05 -0.30 0.00 -1.00 0.00 0.00 59.36 58.11 2omo h GLU 27 Cb 0.22 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2omo h GLU 27 CO -0.23 0.57 -1.52 1.96 -1.00 0.00 0.00 179.01 178.79 2omo h GLN 28 N 0.88 0.25 -0.15 2.33 1.08 -1.77 -3.37 115.11 114.35 2omo h GLN 28 Ca 0.30 -0.43 -0.13 0.00 -1.45 0.00 0.00 58.65 56.94 2omo h GLN 28 Cb 0.08 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2omo h GLN 28 CO -0.09 1.12 -0.46 0.77 -0.95 0.00 0.00 178.83 179.22 2omo h SER 29 N 0.07 0.41 0.42 1.46 0.02 -0.13 -2.47 113.55 113.33 2omo h SER 29 Ca -0.24 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 2omo h SER 29 Cb 2.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.44 2omo h SER 29 CO 0.16 0.82 0.00 2.30 -1.14 0.00 0.00 176.83 178.97 2omo n ILE 30 N -3.99 1.11 1.17 3.27 -5.35 -0.58 -1.33 119.36 113.66 2omo n ILE 30 Ca -0.02 0.36 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 2omo n ILE 30 Cb 0.53 -1.25 0.23 0.00 -1.74 0.00 0.00 39.64 37.42 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 -1.87 1.45 -2.43 6.28 1.74 -0.93 -4.85 116.66 116.04 2omo n ARG 31 Ca 0.02 -1.06 -0.38 0.00 -0.77 0.00 0.00 57.85 55.66 2omo n ARG 31 Cb 0.14 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 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 -2.28 4.17 0.20 5.56 2.02 -0.44 -4.95 118.70 122.99 2omo s GLU 32 Ca 0.26 1.68 -0.32 0.00 0.02 0.00 0.00 54.97 56.62 2omo s GLU 32 Cb 0.19 -2.68 -0.12 0.00 0.10 0.00 0.00 34.13 31.63 2omo s GLU 32 CO 0.45 -0.17 1.73 -2.14 0.02 0.00 0.00 175.26 175.14 2omo s PRO 33 N -2.28 4.13 0.00 0.39 0.02 -1.26 -1.81 135.00 134.19 2omo s PRO 33 Ca 0.56 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.18 2omo s PRO 33 Cb -0.27 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2omo s PRO 33 CO 0.34 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2omo n GLY 34 N 3.99 1.07 3.62 0.52 0.00 -1.26 -4.82 105.19 108.31 2omo n GLY 34 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.06 2.38 0.65 1.61 3.84 -0.75 -0.00 114.94 119.61 2omo s ASN 35 Ca 0.00 1.60 -0.17 0.00 0.21 0.00 0.00 52.86 54.51 2omo s ASN 35 Cb 0.00 -2.26 -0.01 0.00 -0.55 0.00 0.00 41.25 38.43 2omo s ASN 35 CO 0.00 -3.34 1.17 -0.13 -2.79 0.00 0.00 177.10 172.01 2omo s ARG 37 N -4.71 2.73 -0.38 0.43 3.00 -0.95 -4.87 118.95 114.18 2omo s ARG 37 Ca 0.66 1.65 0.12 0.00 0.00 0.00 0.00 55.73 58.15 2omo s ARG 37 Cb -0.21 -1.92 0.37 0.00 0.00 0.00 0.00 34.95 33.19 2omo s ARG 37 CO 0.60 -1.36 0.96 0.34 0.00 0.00 0.00 175.30 175.84 2omo n PHE 38 N -2.13 -0.68 -2.39 -0.53 7.35 -1.21 -1.40 117.46 116.48 2omo n PHE 38 Ca 0.12 -2.91 -0.41 0.00 -0.76 0.00 0.00 57.45 53.49 2omo n PHE 38 Cb 0.51 0.36 -0.04 0.00 0.35 0.00 0.00 39.48 40.66 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 -2.15 7.13 -0.22 -2.13 1.01 -0.83 -4.82 116.67 114.66 2omo s ASP 39 Ca 0.30 2.30 -0.04 0.00 0.71 0.00 0.00 52.55 55.82 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 -0.29 -0.03 -0.63 0.21 0.00 0.00 175.17 174.38 2omo s ILE 40 N -0.64 3.52 0.05 0.77 -1.09 -1.26 -1.29 121.20 121.26 2omo s ILE 40 Ca 0.49 -0.45 0.09 0.00 -2.23 0.00 0.00 60.65 58.55 2omo s ILE 40 Cb -0.33 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 2omo s ILE 40 CO 0.40 0.42 -0.24 -0.76 -1.23 0.00 0.00 174.94 173.53 2omo s LEU 41 N 1.40 2.17 -0.09 2.97 1.43 0.26 -5.00 118.68 121.82 2omo s LEU 41 Ca 0.05 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2omo s LEU 41 Cb -0.14 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 44.90 2omo s LEU 41 CO -0.02 0.22 -0.21 -1.58 0.23 0.00 0.00 176.35 175.00 2omo s GLN 42 N -1.25 2.67 0.26 1.70 0.74 -1.26 -1.06 119.66 121.45 2omo s GLN 42 Ca 0.10 -0.76 -0.31 0.00 0.05 0.00 0.00 55.36 54.45 2omo s GLN 42 Cb -0.10 -2.05 -0.11 0.00 1.10 0.00 0.00 33.01 31.85 2omo s GLN 42 CO 0.02 0.15 1.60 0.45 -0.55 0.00 0.00 175.29 176.96 2omo s SER 43 N 0.40 6.43 0.40 6.67 0.15 0.18 -4.89 113.70 123.05 2omo s SER 43 Ca -0.17 2.86 0.09 0.00 0.70 0.00 0.00 55.95 59.43 2omo s SER 43 Cb -0.17 -2.62 0.85 0.00 -1.71 0.00 0.00 66.02 62.36 2omo s SER 43 CO 0.07 -0.89 1.99 0.00 1.20 0.00 0.00 173.24 175.61 2omo h ALA 44 N 5.50 1.62 0.00 5.45 0.00 -1.99 -3.09 119.26 126.74 2omo h ALA 44 Ca -0.46 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2omo h ALA 44 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2omo h ALA 44 CO 0.84 0.29 -0.74 -0.44 0.00 0.00 0.00 179.25 179.20 2omo h ASP 45 N 0.36 0.00 -1.55 0.00 3.32 -1.98 -3.45 116.42 113.13 2omo h ASP 45 Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 2omo h ASP 45 Cb 0.16 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.45 2omo h ASP 45 CO -0.00 0.21 -0.45 -0.62 -1.72 0.00 0.00 179.24 176.65 2omo s ASP 46 N -5.86 -0.24 0.08 6.45 -1.08 -1.17 -5.03 116.67 109.82 2omo s ASP 46 Ca 0.02 0.10 0.11 0.00 -0.52 0.00 0.00 52.55 52.26 2omo s ASP 46 Cb 0.08 1.42 0.52 0.00 -1.46 0.00 0.00 42.92 43.47 2omo s ASP 46 CO 0.76 -0.31 1.35 -0.81 0.52 0.00 0.00 175.17 176.67 2omo n PRO 47 N 5.38 0.05 0.00 4.34 -0.04 -1.25 -1.53 135.00 141.95 2omo n PRO 47 Ca -0.00 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 2omo n PRO 47 Cb 0.51 -1.62 0.62 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.71 0.00 -3.82 0.52 -2.24 -1.26 -4.78 114.28 100.99 2omo n THR 48 Ca 0.01 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.36 2omo n THR 48 Cb 0.10 -0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.39 3.62 0.22 -0.78 1.81 -0.58 -1.25 118.95 119.60 2omo s ARG 49 Ca 0.31 -0.50 0.10 0.00 -1.72 0.00 0.00 55.73 53.92 2omo s ARG 49 Cb 0.20 -3.25 -0.05 0.00 -0.45 0.00 0.00 34.95 31.41 2omo s ARG 49 CO 0.45 -0.15 -0.20 -0.06 -0.68 0.00 0.00 175.30 174.66 2omo s PHE 50 N 1.49 2.09 -0.05 -0.53 0.08 0.40 -0.64 117.98 120.82 2omo s PHE 50 Ca 0.06 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2omo s PHE 50 Cb -0.15 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.33 2omo s PHE 50 CO 0.02 0.51 -0.10 0.08 -0.10 0.00 0.00 175.22 175.64 2omo s VAL 51 N -2.24 0.92 -0.27 -0.44 1.01 -0.23 -0.70 120.40 118.45 2omo s VAL 51 Ca 0.23 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 2omo s VAL 51 Cb -0.05 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2omo s VAL 51 CO 0.10 0.30 0.14 -0.76 0.00 0.00 0.00 175.10 174.88 2omo s LEU 52 N 0.49 3.81 -0.51 3.92 1.02 0.27 -0.58 118.68 127.10 2omo s LEU 52 Ca -0.09 -0.19 -0.13 0.00 0.02 0.00 0.00 54.13 53.74 2omo s LEU 52 Cb -0.13 -2.02 0.12 0.00 0.02 0.00 0.00 46.19 44.19 2omo s LEU 52 CO 0.02 -0.07 0.44 -0.47 0.02 0.00 0.00 176.35 176.28 2omo s TYR 53 N 1.68 3.31 -0.37 0.29 5.04 -0.41 -0.23 117.35 126.66 2omo s TYR 53 Ca 0.06 -1.49 -0.03 0.00 -2.44 0.00 0.00 57.07 53.17 2omo s TYR 53 Cb -0.16 -3.65 0.08 0.00 0.35 0.00 0.00 41.96 38.58 2omo s TYR 53 CO 0.07 -1.00 0.13 -1.21 -1.34 0.00 0.00 175.55 172.20 2omo s GLU 54 N 1.51 2.26 -0.11 4.97 2.02 -0.64 -1.96 118.70 126.75 2omo s GLU 54 Ca 0.04 -1.53 0.02 0.00 0.02 0.00 0.00 54.97 53.52 2omo s GLU 54 Cb -0.28 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 2omo s GLU 54 CO 0.02 -0.87 -0.19 0.00 0.02 0.00 0.00 175.26 174.24 2omo s ALA 55 N 1.23 2.39 0.14 5.21 0.00 -0.49 -1.00 121.76 129.25 2omo s ALA 55 Ca 0.02 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.11 2omo s ALA 55 Cb -0.21 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 2omo s ALA 55 CO -0.02 0.29 -0.15 0.71 0.00 0.00 0.00 175.76 176.60 2omo s TYR 56 N 0.27 1.52 0.25 0.00 2.02 0.23 -2.25 117.35 119.39 2omo s TYR 56 Ca -0.13 -0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 55.98 2omo s TYR 56 Cb -0.16 -0.77 0.44 0.00 -0.40 0.00 0.00 41.96 41.07 2omo s TYR 56 CO 0.07 0.21 1.78 0.87 -1.57 0.00 0.00 175.55 176.90 2omo h LYS 57 N 3.27 0.64 -4.57 -0.62 1.57 -0.73 0.20 116.57 116.32 2omo h LYS 57 Ca -0.40 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.11 2omo h LYS 57 Cb 1.20 -0.15 -0.17 0.00 0.08 0.00 0.00 32.23 33.19 2omo h LYS 57 CO 0.53 0.43 -0.71 0.95 -0.57 0.00 0.00 179.45 180.08 2omo s THR 58 N -6.01 0.59 0.33 -0.16 -4.23 -1.26 -4.33 115.64 100.56 2omo s THR 58 Ca -0.12 -1.57 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 2omo s THR 58 Cb 0.20 -1.21 0.28 0.00 1.34 0.00 0.00 72.50 73.11 2omo s THR 58 CO 0.78 -0.68 1.94 -0.09 -0.54 0.00 0.00 174.62 176.02 2omo h ARG 59 N 3.62 0.90 -0.62 3.99 2.43 -1.92 -2.01 114.38 120.77 2omo h ARG 59 Ca -0.35 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.74 2omo h ARG 59 Cb 1.18 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2omo h ARG 59 CO 0.55 0.60 0.31 0.87 -1.51 0.00 0.00 179.97 180.78 2omo h LYS 60 N 0.93 0.88 -0.49 0.20 6.56 -1.99 0.19 116.57 122.86 2omo h LYS 60 Ca 0.35 -0.12 0.04 0.00 -1.06 0.00 0.00 60.65 59.86 2omo h LYS 60 Cb 0.19 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 2omo h LYS 60 CO -0.12 0.70 0.24 -0.44 -2.06 0.00 0.00 179.45 177.77 2omo h ASP 61 N 0.84 0.34 -0.71 0.86 3.32 -1.78 -1.69 116.42 117.60 2omo h ASP 61 Ca 0.21 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.25 2omo h ASP 61 Cb 0.10 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2omo h ASP 61 CO -0.03 0.24 0.28 0.00 -1.72 0.00 0.00 179.24 178.00 2omo h ALA 62 N 1.27 0.93 -0.93 3.45 0.00 -0.64 -2.77 119.26 120.56 2omo h ALA 62 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2omo h ALA 62 Cb 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 2omo h ALA 62 CO -0.16 0.56 0.62 0.00 0.00 0.00 0.00 179.25 180.26 2omo h ALA 63 N 1.13 1.35 -0.01 0.00 0.00 -0.69 -2.37 119.26 118.67 2omo h ALA 63 Ca 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2omo h ALA 63 Cb 0.22 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2omo h ALA 63 CO -0.02 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 2omo h ALA 64 N 1.42 1.62 -0.98 0.00 0.00 -1.02 -2.94 119.26 117.35 2omo h ALA 64 Ca 0.34 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.21 2omo h ALA 64 Cb -0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 2omo h ALA 64 CO -0.08 0.29 0.61 1.25 0.00 0.00 0.00 179.25 181.33 2omo h HIS 65 N 0.01 1.02 0.00 0.00 2.76 -1.35 -1.37 115.15 116.22 2omo h HIS 65 Ca -0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2omo h HIS 65 Cb 0.40 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2omo h HIS 65 CO 0.00 0.31 0.00 1.63 -1.30 0.00 0.00 177.93 178.57 2omo n LYS 66 N -4.67 0.51 0.00 5.26 5.02 -1.11 -2.32 118.16 120.85 2omo n LYS 66 Ca 0.21 0.03 0.10 0.00 -2.02 0.00 0.00 58.31 56.64 2omo n LYS 66 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.19 0.04 -2.57 1.97 -0.58 -0.52 -4.73 120.64 113.07 2omo n GLU 67 Ca 0.14 -0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.54 2omo n GLU 67 Cb 0.16 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 2omo n GLU 67 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2omo s THR 68 N -3.03 3.86 0.24 2.62 -4.23 -0.98 -4.94 115.64 109.18 2omo s THR 68 Ca 0.07 1.16 -0.06 0.00 -1.18 0.00 0.00 61.69 61.68 2omo s THR 68 Cb 0.16 -3.47 0.24 0.00 1.34 0.00 0.00 72.50 70.77 2omo s THR 68 CO 0.84 -0.25 1.90 0.00 -0.54 0.00 0.00 174.62 176.57 2omo h ALA 69 N 1.59 1.23 -0.37 3.99 0.00 -1.93 -2.27 119.26 121.49 2omo h ALA 69 Ca -0.49 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2omo h ALA 69 Cb 1.22 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2omo h ALA 69 CO 0.59 0.52 -0.24 1.12 0.00 0.00 0.00 179.25 181.24 2omo h HIS 70 N 1.22 0.86 0.23 0.00 2.07 -1.93 0.24 115.15 117.83 2omo h HIS 70 Ca 0.36 -0.20 -0.01 0.00 -2.85 0.00 0.00 60.37 57.68 2omo h HIS 70 Cb -0.05 -0.20 -0.00 0.00 2.57 0.00 0.00 27.41 29.73 2omo h HIS 70 CO -0.01 0.92 -0.13 -0.92 -3.07 0.00 0.00 177.93 174.72 2omo h TYR 71 N 0.65 -0.33 -0.83 6.12 3.20 -1.77 -1.24 116.97 122.78 2omo h TYR 71 Ca 0.09 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2omo h TYR 71 Cb 0.75 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 2omo h TYR 71 CO 0.04 -0.20 0.55 -0.07 -1.64 0.00 0.00 178.16 176.83 2omo h LEU 72 N -0.34 0.94 -0.01 2.82 3.38 -1.02 0.90 115.31 121.98 2omo h LEU 72 Ca -0.03 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2omo h LEU 72 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2omo h LEU 72 CO 0.04 0.67 -0.03 0.74 0.09 0.00 0.00 178.44 179.95 2omo h THR 73 N 1.11 0.91 0.16 0.22 2.02 -0.51 -1.92 112.91 114.90 2omo h THR 73 Ca 0.31 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.50 2omo h THR 73 Cb -0.11 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2omo h THR 73 CO -0.07 0.00 -0.21 -0.25 0.37 0.00 0.00 175.52 175.36 2omo h TRP 74 N -0.05 -0.54 -0.26 3.16 7.01 -0.72 -0.24 115.95 124.30 2omo h TRP 74 Ca 0.02 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2omo h TRP 74 Cb 0.08 0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.30 2omo h TRP 74 CO -0.11 -0.30 -0.07 -0.09 -2.79 0.00 0.00 178.44 175.08 2omo h ARG 75 N -0.42 -0.01 -0.81 2.65 2.43 -0.78 -0.59 114.38 116.86 2omo h ARG 75 Ca 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2omo h ARG 75 Cb 0.41 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2omo h ARG 75 CO -0.08 -0.00 0.38 -0.44 -1.51 0.00 0.00 179.97 178.31 2omo h ASP 76 N -0.01 1.06 -0.34 -3.80 3.32 -1.26 -2.68 116.42 112.72 2omo h ASP 76 Ca 0.13 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2omo h ASP 76 Cb 0.20 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2omo h ASP 76 CO -0.27 0.90 -0.00 0.74 -1.72 0.00 0.00 179.24 178.88 2omo h THR 77 N 1.15 1.26 -0.00 0.35 2.02 -0.05 -3.23 112.91 114.41 2omo h THR 77 Ca 0.28 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.48 2omo h THR 77 Cb 0.13 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2omo h THR 77 CO -0.03 0.32 -0.36 1.33 0.37 0.00 0.00 175.52 177.14 2omo n VAL 78 N -4.52 0.00 -0.21 3.16 0.24 -0.32 -4.34 118.33 112.35 2omo n VAL 78 Ca -0.02 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2omo n VAL 78 Cb 0.27 0.30 0.08 0.00 -1.47 0.00 0.00 33.84 33.03 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 3.35 0.51 0.00 2.33 0.00 -1.49 0.13 119.26 124.09 2omo h ALA 79 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2omo h ALA 79 Cb 0.50 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2omo h ALA 79 CO 0.00 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 2omo n ASP 80 N -5.36 0.00 -4.33 0.00 8.00 -1.26 -4.93 116.55 108.67 2omo n ASP 80 Ca 0.08 -0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.13 2omo n ASP 80 Cb 0.34 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 2omo n ASP 80 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2omo s TRP 81 N -2.64 4.19 0.00 1.24 0.51 0.47 -4.98 118.94 117.73 2omo s TRP 81 Ca 0.24 -2.60 0.00 0.00 -2.12 0.00 0.00 56.10 51.61 2omo s TRP 81 Cb 0.18 -3.82 0.00 0.00 -0.81 0.00 0.00 33.47 29.02 2omo s TRP 81 CO 0.43 -0.95 0.00 0.00 -0.51 0.00 0.00 176.95 175.91 2omo n ALA 83 N 2.87 0.35 -3.62 0.98 0.00 0.65 -0.32 120.51 121.43 2omo n ALA 83 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.60 2omo n ALA 83 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.29 1.11 0.26 0.00 -1.05 -1.25 -5.00 118.70 112.47 2omo s GLU 84 Ca 0.00 -0.52 -0.31 0.00 -0.15 0.00 0.00 54.97 53.99 2omo s GLU 84 Cb 0.00 0.44 -0.13 0.00 -0.44 0.00 0.00 34.13 33.99 2omo s GLU 84 CO 0.00 -0.50 1.37 -2.30 0.95 0.00 0.00 175.26 174.78 2omo n PRO 85 N -0.37 2.01 -1.90 -4.83 -0.02 -1.26 -4.63 135.00 124.01 2omo n PRO 85 Ca -0.08 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 2omo n PRO 85 Cb 0.62 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.79 2omo n PRO 85 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2omo s ARG 86 N -0.69 2.86 -0.04 -0.52 0.52 -1.26 -4.86 118.95 114.95 2omo s ARG 86 Ca 0.66 1.96 0.06 0.00 -0.52 0.00 0.00 55.73 57.89 2omo s ARG 86 Cb -0.64 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 32.87 2omo s ARG 86 CO 0.52 -1.33 -0.23 0.21 0.02 0.00 0.00 175.30 174.50 2omo s LYS 87 N -3.28 2.11 -0.18 3.54 2.47 -0.85 -4.98 119.74 118.58 2omo s LYS 87 Ca 0.78 -0.81 -0.02 0.00 -1.56 0.00 0.00 55.97 54.37 2omo s LYS 87 Cb -0.34 -1.89 -0.01 0.00 -1.46 0.00 0.00 37.83 34.13 2omo s LYS 87 CO 0.37 0.40 -0.10 0.20 0.16 0.00 0.00 175.35 176.38 2omo s GLY 88 N -0.28 1.55 -0.19 5.54 0.00 -1.26 0.05 107.32 112.73 2omo s GLY 88 Ca 0.01 -1.06 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 2omo s GLY 88 CO 0.01 0.15 -0.06 0.14 0.00 0.00 0.00 173.10 173.34 2omo s VAL 89 N 0.97 3.42 -0.05 1.40 1.01 0.14 -4.94 120.40 122.34 2omo s VAL 89 Ca -0.01 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 2omo s VAL 89 Cb -0.15 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2omo s VAL 89 CO -0.01 0.46 0.62 -0.63 0.00 0.00 0.00 175.10 175.54 2omo s ILE 90 N 1.00 5.02 0.12 2.22 1.01 -1.26 -0.60 121.20 128.71 2omo s ILE 90 Ca -0.00 1.28 0.07 0.00 0.00 0.00 0.00 60.65 62.00 2omo s ILE 90 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2omo s ILE 90 CO 0.00 0.33 -0.16 -0.31 0.00 0.00 0.00 174.94 174.80 2omo s TYR 91 N 0.41 1.53 -0.14 3.97 2.02 0.79 -5.01 117.35 120.92 2omo s TYR 91 Ca 0.33 -0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 56.47 2omo s TYR 91 Cb -0.17 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 2omo s TYR 91 CO 0.16 0.18 0.08 0.20 -1.57 0.00 0.00 175.55 174.60 2omo s GLY 92 N -2.26 2.00 -0.23 0.71 0.00 -1.26 -1.77 107.32 104.51 2omo s GLY 92 Ca 0.08 -0.71 -0.29 0.00 0.00 0.00 0.00 44.72 43.79 2omo s GLY 92 CO 0.04 -0.21 1.31 -0.32 0.00 0.00 0.00 173.10 173.92 2omo s GLY 93 N -0.37 1.50 -0.09 0.20 0.00 -1.26 -4.89 107.32 102.40 2omo s GLY 93 Ca 0.10 0.31 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 2omo s GLY 93 CO 0.02 2.58 0.53 1.41 0.00 0.00 0.00 173.10 177.64 2omo h LEU 94 N 10.39 0.47 -7.72 0.66 3.38 -1.95 0.53 115.31 121.08 2omo h LEU 94 Ca -0.27 -0.90 -0.22 0.00 0.09 0.00 0.00 57.88 56.58 2omo h LEU 94 Cb 1.11 -0.15 -0.27 0.00 0.09 0.00 0.00 40.66 41.43 2omo h LEU 94 CO 1.00 1.75 -0.68 -0.31 0.09 0.00 0.00 178.44 180.29 2omo s TYR 95 N -2.54 -0.02 0.65 1.13 2.02 -1.26 -4.23 117.35 113.11 2omo s TYR 95 Ca -0.19 0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.40 2omo s TYR 95 Cb 0.05 -0.00 -0.00 0.00 -0.40 0.00 0.00 41.96 41.61 2omo s TYR 95 CO 0.79 -0.03 1.11 -1.25 -1.57 0.00 0.00 175.55 174.60 2omo s PRO 96 N -0.09 2.84 0.15 -1.71 0.04 -1.26 -5.10 135.00 129.87 2omo s PRO 96 Ca -0.01 1.38 0.11 0.00 0.04 0.00 0.00 61.00 62.53 2omo s PRO 96 Cb -0.01 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 2omo s PRO 96 CO 0.00 -1.22 1.22 1.79 0.04 0.00 0.00 177.00 178.83 2omo h THR 97 N 0.07 1.20 0.00 1.26 1.35 -1.94 -3.46 112.91 111.39 2omo h THR 97 Ca -0.47 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 2omo h THR 97 Cb 1.25 2.57 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 2omo h THR 97 CO 0.54 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 177.11