#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5l s VAL 2 N 0.00 3.08 0.48 1.12 0.11 -1.26 -3.36 120.40 120.58 2e5l s VAL 2 Ca 0.00 0.52 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 2e5l s VAL 2 Cb 0.00 -3.33 0.07 0.00 -1.53 0.00 0.00 36.38 31.59 2e5l s VAL 2 CO 0.00 -0.00 0.60 0.29 -3.33 0.00 0.00 175.10 172.66 2e5l n LYS 3 N 5.64 0.70 -3.80 1.54 5.02 -0.38 -3.16 118.16 123.72 2e5l n LYS 3 Ca 0.16 -2.70 -0.27 0.00 -2.02 0.00 0.00 58.31 53.49 2e5l n LYS 3 Cb 0.41 -0.08 -0.17 0.00 -0.02 0.00 0.00 35.03 35.16 2e5l n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2e5l s ILE 4 N -2.10 0.71 0.19 -0.18 1.01 -0.96 -1.47 121.20 118.40 2e5l s ILE 4 Ca 0.46 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 2e5l s ILE 4 Cb -0.04 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2e5l s ILE 4 CO 0.29 0.05 0.29 -2.11 0.00 0.00 0.00 174.94 173.45 2e5l n ARG 5 N 5.01 0.41 -1.90 2.79 1.85 0.16 -1.84 116.66 123.13 2e5l n ARG 5 Ca -0.10 -1.46 -0.30 0.00 -1.00 0.00 0.00 57.85 55.00 2e5l n ARG 5 Cb 0.48 1.45 0.20 0.00 -1.05 0.00 0.00 32.46 33.54 2e5l n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2e5l s LEU 6 N 0.00 2.65 -0.30 2.89 1.02 -1.26 -0.55 118.68 123.13 2e5l s LEU 6 Ca 0.15 0.24 -0.14 0.00 0.02 0.00 0.00 54.13 54.40 2e5l s LEU 6 Cb -0.01 -2.24 0.14 0.00 0.02 0.00 0.00 46.19 44.11 2e5l s LEU 6 CO 0.11 -2.85 0.84 0.00 0.02 0.00 0.00 176.35 174.46 2e5l s ALA 7 N -3.88 -2.34 0.28 4.21 0.00 -1.18 -4.79 121.76 114.06 2e5l s ALA 7 Ca 0.75 2.21 -0.29 0.00 0.00 0.00 0.00 51.96 54.63 2e5l s ALA 7 Cb -0.03 -1.85 -0.10 0.00 0.00 0.00 0.00 23.12 21.13 2e5l s ALA 7 CO 0.53 -0.81 1.35 1.03 0.00 0.00 0.00 175.76 177.87 2e5l s ARG 8 N 2.37 4.33 0.00 0.00 1.81 -1.26 -1.96 118.95 124.24 2e5l s ARG 8 Ca -0.05 2.22 0.00 0.00 -1.72 0.00 0.00 55.73 56.17 2e5l s ARG 8 Cb -0.08 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.32 2e5l s ARG 8 CO -0.18 -0.28 0.00 1.19 -0.68 0.00 0.00 175.30 175.35 2e5l n PHE 9 N 1.69 0.00 0.00 -0.53 3.72 -0.35 -4.89 117.46 117.10 2e5l n PHE 9 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2e5l n PHE 9 Cb 0.41 0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 2e5l n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2e5l n GLY 10 N 0.00 -0.03 3.82 1.37 0.00 -1.12 -4.70 105.19 104.53 2e5l n GLY 10 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 2e5l n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5l s SER 11 N -1.24 -0.04 -0.86 1.61 1.04 -0.96 -4.86 113.70 108.39 2e5l s SER 11 Ca 0.00 -0.35 -0.32 0.00 0.48 0.00 0.00 55.95 55.76 2e5l s SER 11 Cb 0.00 0.31 -0.19 0.00 0.10 0.00 0.00 66.02 66.23 2e5l s SER 11 CO 0.00 -0.59 2.59 1.17 0.98 0.00 0.00 173.24 177.39 2e5l n LYS 12 N -0.66 0.18 -0.99 4.02 4.81 -1.26 0.33 118.16 124.58 2e5l n LYS 12 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2e5l n LYS 12 Cb 0.60 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2e5l n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2e5l n HIS 13 N 10.91 0.00 -2.62 5.64 8.25 -1.26 -4.93 115.22 131.21 2e5l n HIS 13 Ca 0.60 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.85 2e5l n HIS 13 Cb 0.10 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2e5l n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2e5l n ASN 14 N -0.04 3.52 -4.68 0.41 5.15 0.99 -5.08 115.26 115.52 2e5l n ASN 14 Ca 0.00 -3.38 -0.48 0.00 -0.60 0.00 0.00 54.58 50.11 2e5l n ASN 14 Cb 0.02 -0.50 -0.05 0.00 -0.53 0.00 0.00 39.78 38.72 2e5l n ASN 14 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2e5l n PRO 15 N -0.29 2.18 -3.77 1.20 -0.04 -1.22 -2.27 135.00 130.80 2e5l n PRO 15 Ca 0.29 0.80 -0.26 0.00 -0.04 0.00 0.00 63.50 64.29 2e5l n PRO 15 Cb 0.68 -2.65 -0.17 0.00 -0.04 0.00 0.00 33.50 31.32 2e5l n PRO 15 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2e5l s HIS 16 N 4.08 1.00 0.52 0.54 3.76 -1.26 -4.01 115.29 119.92 2e5l s HIS 16 Ca 0.93 -0.66 -0.02 0.00 -0.15 0.00 0.00 55.06 55.16 2e5l s HIS 16 Cb -0.69 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.01 2e5l s HIS 16 CO 0.52 -0.52 0.78 0.71 -0.85 0.00 0.00 174.74 175.38 2e5l s TYR 17 N 1.86 3.20 -0.30 1.40 1.51 0.30 -1.21 117.35 124.13 2e5l s TYR 17 Ca 0.01 0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 2e5l s TYR 17 Cb -0.15 -2.54 0.10 0.00 -0.11 0.00 0.00 41.96 39.26 2e5l s TYR 17 CO -0.07 -0.61 0.10 1.03 -1.11 0.00 0.00 175.55 174.89 2e5l s ARG 18 N -4.77 0.60 0.00 -0.62 0.52 -0.83 -2.82 118.95 111.04 2e5l s ARG 18 Ca 0.51 -0.90 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 2e5l s ARG 18 Cb -0.10 -1.82 -0.07 0.00 0.52 0.00 0.00 34.95 33.48 2e5l s ARG 18 CO 0.41 -0.96 1.71 0.42 0.02 0.00 0.00 175.30 176.90 2e5l s ILE 19 N 1.74 3.30 0.24 1.52 1.01 -0.56 -3.08 121.20 125.37 2e5l s ILE 19 Ca 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 2e5l s ILE 19 Cb -0.17 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 2e5l s ILE 19 CO -0.26 -0.03 0.26 0.54 0.00 0.00 0.00 174.94 175.44 2e5l s VAL 20 N 3.64 0.00 -0.18 2.92 0.11 0.28 -1.38 120.40 125.78 2e5l s VAL 20 Ca 0.76 -1.83 0.00 0.00 -2.93 0.00 0.00 61.98 57.98 2e5l s VAL 20 Cb -0.37 -2.44 0.01 0.00 -1.53 0.00 0.00 36.38 32.04 2e5l s VAL 20 CO 0.33 0.00 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.24 2e5l s VAL 21 N -3.96 2.41 0.10 2.04 1.01 -1.19 -0.67 120.40 120.14 2e5l s VAL 21 Ca 0.35 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 2e5l s VAL 21 Cb 0.04 -2.03 0.06 0.00 0.00 0.00 0.00 36.38 34.45 2e5l s VAL 21 CO 0.14 0.51 0.57 0.28 0.00 0.00 0.00 175.10 176.60 2e5l s THR 22 N 1.21 0.01 0.28 3.92 -1.32 -0.54 -0.47 115.64 118.73 2e5l s THR 22 Ca 0.02 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 2e5l s THR 22 Cb -0.14 -1.02 -0.12 0.00 -1.51 0.00 0.00 72.50 69.71 2e5l s THR 22 CO -0.08 -0.07 1.50 -0.67 -2.21 0.00 0.00 174.62 173.09 2e5l n ASP 23 N -0.01 3.36 -0.28 8.08 4.64 -1.26 -1.25 116.55 129.83 2e5l n ASP 23 Ca -0.17 1.15 -0.07 0.00 -1.38 0.00 0.00 54.79 54.32 2e5l n ASP 23 Cb 0.63 -1.52 -0.02 0.00 -1.04 0.00 0.00 41.12 39.16 2e5l n ASP 23 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2e5l h ALA 24 N 4.32 -0.23 0.00 -1.67 0.00 -1.89 -2.36 119.26 117.43 2e5l h ALA 24 Ca -0.46 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2e5l h ALA 24 Cb 1.25 1.03 0.00 0.00 0.00 0.00 0.00 17.79 20.06 2e5l h ALA 24 CO 0.76 -0.79 0.18 0.54 0.00 0.00 0.00 179.25 179.93 2e5l n ARG 25 N -5.40 0.04 -2.32 0.00 1.74 -1.26 -4.72 116.66 104.74 2e5l n ARG 25 Ca 0.04 0.44 -0.25 0.00 -0.77 0.00 0.00 57.85 57.31 2e5l n ARG 25 Cb 0.35 -1.80 0.07 0.00 -1.02 0.00 0.00 32.46 30.06 2e5l n ARG 25 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2e5l s ARG 26 N -2.95 2.17 1.21 5.56 0.52 -0.89 -5.08 118.95 119.49 2e5l s ARG 26 Ca -0.01 -0.45 -0.20 0.00 -0.52 0.00 0.00 55.73 54.55 2e5l s ARG 26 Cb 0.02 -2.24 0.30 0.00 0.52 0.00 0.00 34.95 33.54 2e5l s ARG 26 CO 0.05 -1.19 1.15 1.63 0.02 0.00 0.00 175.30 176.96 2e5l n LYS 27 N -2.82 -2.88 -0.02 3.54 5.02 -1.26 -4.95 118.16 114.78 2e5l n LYS 27 Ca 0.09 -1.82 -0.04 0.00 -2.02 0.00 0.00 58.31 54.51 2e5l n LYS 27 Cb 0.60 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 2e5l n LYS 27 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2e5l h ARG 28 N 0.00 -0.08 -1.61 1.97 2.43 -1.95 -3.29 114.38 111.85 2e5l h ARG 28 Ca -0.42 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 2e5l h ARG 28 Cb 1.26 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 2e5l h ARG 28 CO 0.28 0.17 0.08 -0.25 -1.51 0.00 0.00 179.97 178.73 2e5l n ASP 29 N -4.80 4.77 -4.83 -3.80 10.43 -1.26 -4.78 116.55 112.28 2e5l n ASP 29 Ca -0.03 -2.42 -0.22 0.00 2.57 0.00 0.00 54.79 54.69 2e5l n ASP 29 Cb 0.13 -0.93 -0.04 0.00 1.84 0.00 0.00 41.12 42.13 2e5l n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2e5l s GLY 30 N 1.35 1.87 -0.35 0.44 0.00 -1.24 -5.02 107.32 104.36 2e5l s GLY 30 Ca 0.06 -1.73 -0.34 0.00 0.00 0.00 0.00 44.72 42.71 2e5l s GLY 30 CO 0.00 -1.63 2.21 1.17 0.00 0.00 0.00 173.10 174.85 2e5l n LYS 31 N -1.35 1.14 -2.13 2.90 4.81 -1.26 -4.89 118.16 117.38 2e5l n LYS 31 Ca -0.01 0.30 -0.28 0.00 -0.87 0.00 0.00 58.31 57.45 2e5l n LYS 31 Cb 0.60 -2.54 0.17 0.00 0.02 0.00 0.00 35.03 33.28 2e5l n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2e5l s TYR 32 N 7.56 1.55 -0.22 5.64 1.13 -1.26 -4.92 117.35 126.83 2e5l s TYR 32 Ca 1.09 0.13 -0.16 0.00 -1.41 0.00 0.00 57.07 56.72 2e5l s TYR 32 Cb -0.80 -3.80 -0.10 0.00 -1.10 0.00 0.00 41.96 36.16 2e5l s TYR 32 CO 0.47 -2.40 -0.22 -0.89 -2.51 0.00 0.00 175.55 170.00 2e5l n ILE 33 N -3.50 1.51 -3.28 -3.49 5.41 0.38 -4.97 119.36 111.41 2e5l n ILE 33 Ca 0.15 -0.08 -0.04 0.00 1.00 0.00 0.00 62.75 63.78 2e5l n ILE 33 Cb 0.60 -2.12 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 2e5l n ILE 33 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2e5l s GLU 34 N -2.56 0.43 0.31 0.38 2.12 -1.20 -5.02 118.70 113.16 2e5l s GLU 34 Ca -0.31 0.70 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 2e5l s GLU 34 Cb 0.08 -0.11 -0.11 0.00 0.26 0.00 0.00 34.13 34.25 2e5l s GLU 34 CO 0.45 -0.64 1.47 0.21 -0.54 0.00 0.00 175.26 176.21 2e5l s LYS 35 N 2.66 4.21 -0.43 4.30 2.20 -1.26 -3.18 119.74 128.24 2e5l s LYS 35 Ca 0.16 2.42 0.09 0.00 -0.36 0.00 0.00 55.97 58.28 2e5l s LYS 35 Cb -0.15 -3.05 0.29 0.00 -1.51 0.00 0.00 37.83 33.42 2e5l s LYS 35 CO -0.18 -0.46 0.66 0.44 -0.36 0.00 0.00 175.35 175.45 2e5l n ILE 36 N 1.56 0.16 0.00 5.43 -5.35 -0.48 -4.99 119.36 115.69 2e5l n ILE 36 Ca 0.04 -4.49 0.00 0.00 -0.27 0.00 0.00 62.75 58.03 2e5l n ILE 36 Cb 0.39 -1.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.00 2e5l n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2e5l n GLY 37 N 0.78 1.14 3.35 3.28 0.00 -1.25 -4.51 105.19 107.98 2e5l n GLY 37 Ca 0.24 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 2e5l n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2e5l s TYR 38 N -2.89 1.66 -0.01 1.61 -0.85 -1.15 -1.49 117.35 114.23 2e5l s TYR 38 Ca 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 57.07 55.74 2e5l s TYR 38 Cb 0.00 -0.94 0.00 0.00 0.38 0.00 0.00 41.96 41.41 2e5l s TYR 38 CO 0.00 0.10 -0.02 -0.47 -1.52 0.00 0.00 175.55 173.64 2e5l s TYR 39 N -3.25 0.22 -0.20 -3.49 5.04 -1.13 -1.72 117.35 112.82 2e5l s TYR 39 Ca 0.27 -0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 2e5l s TYR 39 Cb 0.04 -0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.22 2e5l s TYR 39 CO 0.09 -0.02 -0.16 0.34 -1.34 0.00 0.00 175.55 174.46 2e5l s ASP 40 N 0.08 3.44 0.05 4.32 3.68 -1.00 -0.53 116.67 126.71 2e5l s ASP 40 Ca -0.00 -0.85 -0.21 0.00 2.13 0.00 0.00 52.55 53.62 2e5l s ASP 40 Cb -0.03 -1.43 -0.10 0.00 -1.45 0.00 0.00 42.92 39.91 2e5l s ASP 40 CO -0.00 -0.07 1.32 -0.65 0.13 0.00 0.00 175.17 175.90 2e5l h PRO 41 N 7.91 -0.54 -0.34 4.34 0.11 -1.90 -2.93 132.00 138.65 2e5l h PRO 41 Ca -0.36 0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.88 2e5l h PRO 41 Cb 1.11 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2e5l h PRO 41 CO 0.56 -0.36 0.29 0.00 -0.21 0.00 0.00 178.00 178.28 2e5l h ARG 42 N -0.56 0.00 -5.29 1.05 3.08 -1.97 -3.47 114.38 107.23 2e5l h ARG 42 Ca -0.03 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.78 2e5l h ARG 42 Cb 0.50 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.73 2e5l h ARG 42 CO -0.07 0.00 -0.80 1.63 -1.07 0.00 0.00 179.97 179.67 2e5l n LYS 43 N -4.12 -2.30 0.23 0.04 5.02 -1.11 -4.93 118.16 110.99 2e5l n LYS 43 Ca 0.05 0.81 0.13 0.00 -2.02 0.00 0.00 58.31 57.28 2e5l n LYS 43 Cb 0.46 -5.54 0.33 0.00 -0.02 0.00 0.00 35.03 30.26 2e5l n LYS 43 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2e5l h THR 44 N -1.04 0.10 -2.98 -0.18 1.35 -1.90 -3.45 112.91 104.80 2e5l h THR 44 Ca -0.57 -0.95 -0.62 0.00 -0.55 0.00 0.00 66.41 63.73 2e5l h THR 44 Cb 1.29 1.87 -0.13 0.00 -1.73 0.00 0.00 68.15 69.45 2e5l h THR 44 CO 0.41 0.05 -0.69 0.42 -0.25 0.00 0.00 175.52 175.46 2e5l s THR 45 N -3.36 3.46 0.46 6.82 -4.23 -1.26 -4.98 115.64 112.55 2e5l s THR 45 Ca 0.05 -1.51 0.30 0.00 -1.18 0.00 0.00 61.69 59.34 2e5l s THR 45 Cb 0.07 -2.72 0.32 0.00 1.34 0.00 0.00 72.50 71.51 2e5l s THR 45 CO 0.63 -0.09 2.13 1.55 -0.54 0.00 0.00 174.62 178.31 2e5l h PRO 46 N 2.87 0.00 -3.17 3.99 0.13 -2.04 -3.04 132.00 130.73 2e5l h PRO 46 Ca -0.47 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 63.88 2e5l h PRO 46 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 2e5l h PRO 46 CO 0.56 0.08 0.43 -3.47 -0.23 0.00 0.00 178.00 175.37 2e5l n ASP 47 N -3.61 5.56 -1.22 1.44 4.64 -1.26 -4.81 116.55 117.29 2e5l n ASP 47 Ca -0.02 -3.23 0.10 0.00 -1.38 0.00 0.00 54.79 50.26 2e5l n ASP 47 Cb 0.19 -1.24 0.29 0.00 -1.04 0.00 0.00 41.12 39.32 2e5l n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2e5l n TRP 48 N 1.95 0.93 -3.64 -0.67 4.27 -1.15 -4.93 117.44 114.21 2e5l n TRP 48 Ca 0.25 -0.44 -0.07 0.00 -3.89 0.00 0.00 57.50 53.34 2e5l n TRP 48 Cb 0.36 -0.04 -0.07 0.00 -1.36 0.00 0.00 31.31 30.21 2e5l n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2e5l s LEU 49 N -1.11 -0.63 0.01 5.67 2.96 -1.26 -2.38 118.68 121.95 2e5l s LEU 49 Ca 0.43 1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 55.35 2e5l s LEU 49 Cb 0.23 2.04 0.00 0.00 0.50 0.00 0.00 46.19 48.97 2e5l s LEU 49 CO 0.28 -0.18 0.14 -0.75 -1.32 0.00 0.00 176.35 174.52 2e5l s LYS 50 N 0.91 0.50 0.00 1.98 2.20 -0.70 -4.98 119.74 119.65 2e5l s LYS 50 Ca -0.04 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2e5l s LYS 50 Cb -0.05 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2e5l s LYS 50 CO -0.11 -0.12 0.00 0.28 -0.36 0.00 0.00 175.35 175.04 2e5l n VAL 51 N 1.38 0.00 -2.74 4.02 0.31 -1.26 -2.95 118.33 117.08 2e5l n VAL 51 Ca -0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.06 2e5l n VAL 51 Cb 0.56 -0.52 0.02 0.00 -0.91 0.00 0.00 33.84 32.99 2e5l n VAL 51 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2e5l n ASP 52 N -2.35 -6.09 -0.33 4.52 8.00 -1.26 -4.35 116.55 114.69 2e5l n ASP 52 Ca 0.00 -0.24 0.19 0.00 0.71 0.00 0.00 54.79 55.45 2e5l n ASP 52 Cb 0.09 -4.21 0.37 0.00 -0.02 0.00 0.00 41.12 37.35 2e5l n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 2e5l h VAL 53 N -0.09 0.07 -0.95 2.53 -1.51 -1.95 -1.74 116.25 112.61 2e5l h VAL 53 Ca -0.18 -0.02 0.23 0.00 -1.23 0.00 0.00 66.70 65.50 2e5l h VAL 53 Cb 1.09 0.02 -0.18 0.00 -2.13 0.00 0.00 31.29 30.09 2e5l h VAL 53 CO 0.27 0.01 -0.10 -0.62 -1.23 0.00 0.00 177.57 175.89 2e5l n GLU 54 N -5.38 -0.08 0.06 5.19 -0.58 -1.26 -0.36 120.64 118.23 2e5l n GLU 54 Ca 0.27 1.45 -0.21 0.00 -0.42 0.00 0.00 57.16 58.24 2e5l n GLU 54 Cb 0.89 -2.23 -0.15 0.00 -0.57 0.00 0.00 31.44 29.38 2e5l n GLU 54 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e5l h ARG 55 N 0.00 0.34 -0.96 3.49 2.47 -1.65 -3.20 114.38 114.87 2e5l h ARG 55 Ca 0.52 -0.58 0.20 0.00 -1.26 0.00 0.00 59.98 58.86 2e5l h ARG 55 Cb 0.95 0.22 -0.11 0.00 -1.65 0.00 0.00 29.97 29.37 2e5l h ARG 55 CO -0.93 1.28 0.54 0.00 0.56 0.00 0.00 179.97 181.41 2e5l h ALA 56 N 0.07 1.59 0.00 0.04 0.00 -0.67 0.33 119.26 120.61 2e5l h ALA 56 Ca -0.20 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2e5l h ALA 56 Cb 1.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2e5l h ALA 56 CO 0.16 -0.16 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 2e5l h ARG 57 N 0.63 0.00 0.35 0.00 3.08 -0.78 -3.15 114.38 114.51 2e5l h ARG 57 Ca 0.57 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.61 2e5l h ARG 57 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 2e5l h ARG 57 CO -0.43 0.33 -0.43 -0.92 -1.07 0.00 0.00 179.97 177.46 2e5l h TYR 58 N 0.00 -1.19 0.12 3.04 5.03 -0.33 -2.18 116.97 121.45 2e5l h TYR 58 Ca -0.00 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.34 2e5l h TYR 58 Cb 0.86 0.47 -0.05 0.00 1.55 0.00 0.00 36.73 39.57 2e5l h TYR 58 CO 0.00 -0.55 -0.43 -1.49 -1.32 0.00 0.00 178.16 174.37 2e5l h TRP 59 N -0.79 -1.23 -0.95 -3.82 -0.00 -1.53 0.22 115.95 107.85 2e5l h TRP 59 Ca -0.04 0.03 0.16 0.00 -0.00 0.00 0.00 58.89 59.04 2e5l h TRP 59 Cb 0.71 0.52 -0.08 0.00 -0.00 0.00 0.00 29.16 30.30 2e5l h TRP 59 CO -0.27 -0.53 0.60 -0.07 -0.00 0.00 0.00 178.44 178.17 2e5l h LEU 60 N -0.67 0.71 -0.52 -4.49 3.38 -1.62 0.92 115.31 113.02 2e5l h LEU 60 Ca 0.02 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2e5l h LEU 60 Cb 0.69 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2e5l h LEU 60 CO -0.25 0.32 0.33 -1.28 0.09 0.00 0.00 178.44 177.65 2e5l h SER 61 N 0.73 0.56 0.76 -0.43 0.87 -0.57 -2.22 113.55 113.24 2e5l h SER 61 Ca 0.50 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.93 2e5l h SER 61 Cb 0.80 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 2e5l h SER 61 CO -0.26 0.40 -0.60 0.58 -0.53 0.00 0.00 176.83 176.42 2e5l h VAL 62 N 0.67 1.31 0.00 2.23 2.07 0.20 -3.48 116.25 119.26 2e5l h VAL 62 Ca 0.20 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2e5l h VAL 62 Cb -0.03 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2e5l h VAL 62 CO -0.07 0.59 0.00 0.61 0.02 0.00 0.00 177.57 178.72 2e5l n GLY 63 N 0.42 0.72 2.44 2.17 0.00 0.26 -5.08 105.19 106.12 2e5l n GLY 63 Ca -0.01 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 2e5l n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5l s ALA 64 N 0.00 1.11 -0.07 4.61 0.00 -1.20 -4.50 121.76 121.72 2e5l s ALA 64 Ca 0.00 -2.09 -0.38 0.00 0.00 0.00 0.00 51.96 49.49 2e5l s ALA 64 Cb 0.00 -1.60 -0.16 0.00 0.00 0.00 0.00 23.12 21.36 2e5l s ALA 64 CO 0.00 -2.06 1.53 1.04 0.00 0.00 0.00 175.76 176.28 2e5l n GLN 65 N 3.57 1.21 -2.61 0.00 3.00 -1.19 -4.40 117.38 116.96 2e5l n GLN 65 Ca 0.19 0.44 -0.22 0.00 -0.01 0.00 0.00 57.00 57.40 2e5l n GLN 65 Cb 0.41 -2.11 0.06 0.00 0.00 0.00 0.00 30.24 28.60 2e5l n GLN 65 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2e5l s PRO 66 N 1.90 2.31 0.79 -1.09 0.04 -1.26 -2.26 135.00 135.43 2e5l s PRO 66 Ca 0.90 -0.85 -0.12 0.00 0.04 0.00 0.00 61.00 60.98 2e5l s PRO 66 Cb -0.99 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 31.19 2e5l s PRO 66 CO 0.55 -0.92 1.12 0.99 0.04 0.00 0.00 177.00 178.77 2e5l s THR 67 N -2.88 2.79 0.06 1.26 2.01 -0.77 -4.76 115.64 113.34 2e5l s THR 67 Ca 0.60 0.26 -0.31 0.00 0.31 0.00 0.00 61.69 62.54 2e5l s THR 67 Cb -0.09 -3.13 -0.18 0.00 0.01 0.00 0.00 72.50 69.11 2e5l s THR 67 CO 0.40 -0.33 1.55 0.44 -0.69 0.00 0.00 174.62 175.98 2e5l h ASP 68 N -1.03 -0.68 0.03 3.53 3.32 -1.99 0.21 116.42 119.82 2e5l h ASP 68 Ca -0.47 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 2e5l h ASP 68 Cb 1.29 0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.01 2e5l h ASP 68 CO 0.62 -0.44 -0.02 0.74 -1.72 0.00 0.00 179.24 178.42 2e5l h THR 69 N -0.87 1.06 -0.22 0.35 2.02 -1.98 -2.78 112.91 110.49 2e5l h THR 69 Ca -0.08 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 66.87 2e5l h THR 69 Cb 0.64 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 68.22 2e5l h THR 69 CO 0.14 0.07 -0.43 0.00 0.37 0.00 0.00 175.52 175.67 2e5l h ALA 70 N 0.80 -0.56 -0.76 6.16 0.00 -1.85 0.11 119.26 123.16 2e5l h ALA 70 Ca -0.00 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.09 2e5l h ALA 70 Cb 0.15 0.83 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 2e5l h ALA 70 CO 0.01 -0.92 0.02 -0.09 0.00 0.00 0.00 179.25 178.27 2e5l h ARG 71 N -0.44 0.11 -0.57 0.00 2.43 -0.54 0.13 114.38 115.49 2e5l h ARG 71 Ca 0.09 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 2e5l h ARG 71 Cb 0.61 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.03 2e5l h ARG 71 CO -0.45 0.07 -0.21 -0.09 -1.51 0.00 0.00 179.97 177.77 2e5l h ARG 72 N 0.11 -0.07 -0.24 0.20 2.43 -0.69 0.23 114.38 116.34 2e5l h ARG 72 Ca 0.42 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 2e5l h ARG 72 Cb 0.74 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2e5l h ARG 72 CO -0.66 -0.05 0.09 -0.07 -1.51 0.00 0.00 179.97 177.77 2e5l h LEU 73 N -0.08 0.34 -1.97 3.80 3.38 -0.40 -1.98 115.31 118.41 2e5l h LEU 73 Ca 0.26 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.12 2e5l h LEU 73 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2e5l h LEU 73 CO -0.62 0.43 0.18 -0.07 0.09 0.00 0.00 178.44 178.44 2e5l h LEU 74 N 0.24 0.03 -0.36 1.67 3.38 0.50 -0.37 115.31 120.40 2e5l h LEU 74 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2e5l h LEU 74 Cb 0.20 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2e5l h LEU 74 CO -0.01 0.02 -0.06 -0.09 0.09 0.00 0.00 178.44 178.40 2e5l h ARG 75 N 0.03 0.67 -0.46 1.13 2.43 0.09 -1.30 114.38 116.98 2e5l h ARG 75 Ca 0.12 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2e5l h ARG 75 Cb 0.42 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2e5l h ARG 75 CO -0.01 0.82 0.29 1.96 -1.51 0.00 0.00 179.97 181.53 2e5l h GLN 76 N 0.47 0.61 -0.44 0.20 4.20 -0.64 -0.51 115.11 119.00 2e5l h GLN 76 Ca 0.09 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2e5l h GLN 76 Cb 0.55 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2e5l h GLN 76 CO 0.03 0.41 0.03 0.00 -0.67 0.00 0.00 178.83 178.63 2e5l h ALA 77 N 1.70 1.22 0.00 3.87 0.00 -1.11 -3.46 119.26 121.48 2e5l h ALA 77 Ca 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2e5l h ALA 77 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2e5l h ALA 77 CO -0.03 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2e5l n GLY 78 N -0.77 0.91 0.20 0.00 0.00 -0.20 -5.01 105.19 100.32 2e5l n GLY 78 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 2e5l n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2e5l h VAL 79 N 0.00 1.33 -0.02 1.61 2.07 -1.41 -3.33 116.25 116.50 2e5l h VAL 79 Ca 0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 2e5l h VAL 79 Cb 0.00 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2e5l h VAL 79 CO 0.00 0.63 -0.17 0.49 0.02 0.00 0.00 177.57 178.54 2e5l n PHE 80 N -3.89 0.00 -1.69 1.57 3.01 -1.26 -4.92 117.46 110.28 2e5l n PHE 80 Ca -0.05 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.06 2e5l n PHE 80 Cb 0.71 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.15 2e5l n PHE 80 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2e5l s ARG 81 N -1.68 2.19 -1.09 -1.08 3.52 -1.25 -4.89 118.95 114.66 2e5l s ARG 81 Ca 0.17 1.11 -0.11 0.00 -0.13 0.00 0.00 55.73 56.77 2e5l s ARG 81 Cb 0.14 -4.56 0.24 0.00 -1.56 0.00 0.00 34.95 29.20 2e5l s ARG 81 CO 0.31 -3.24 1.15 1.14 -0.81 0.00 0.00 175.30 173.85 2e5l s GLN 82 N 8.00 4.08 0.00 5.12 -2.07 -1.26 -5.11 119.66 128.42 2e5l s GLN 82 Ca 0.89 -2.92 0.15 0.00 -1.82 0.00 0.00 55.36 51.66 2e5l s GLN 82 Cb -0.15 -4.68 0.12 0.00 -1.09 0.00 0.00 33.01 27.20 2e5l s GLN 82 CO 0.23 -1.39 0.96 0.39 -1.32 0.00 0.00 175.29 174.16