#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5l n SER 2 N 0.00 0.95 -4.25 1.61 2.88 -1.26 -4.91 113.62 108.63 1v5l n SER 2 Ca 0.00 0.16 -0.43 0.00 -1.33 0.00 0.00 58.87 57.26 1v5l n SER 2 Cb 0.00 -0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 63.03 1v5l n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v5l s SER 3 N -6.01 6.03 -0.63 -3.46 0.15 -1.26 -4.85 113.70 103.67 1v5l s SER 3 Ca -0.15 -2.15 0.01 0.00 0.70 0.00 0.00 55.95 54.37 1v5l s SER 3 Cb 0.05 -2.10 0.40 0.00 -1.71 0.00 0.00 66.02 62.67 1v5l s SER 3 CO 0.19 -0.68 1.64 0.61 1.20 0.00 0.00 173.24 176.20 1v5l n GLY 4 N 4.65 5.83 3.24 9.45 0.00 -1.26 -4.86 105.19 122.25 1v5l n GLY 4 Ca -0.03 -2.57 -0.18 0.00 0.00 0.00 0.00 46.02 43.23 1v5l n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v5l n SER 5 N -0.60 -4.22 -3.63 1.61 7.64 -1.26 -5.00 113.62 108.16 1v5l n SER 5 Ca 0.49 -0.50 -0.00 0.00 1.01 0.00 0.00 58.87 59.87 1v5l n SER 5 Cb 0.52 -4.49 -0.06 0.00 -1.01 0.00 0.00 64.21 59.16 1v5l n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v5l s SER 6 N -3.67 -0.33 -1.08 6.43 1.04 -1.26 -3.61 113.70 111.22 1v5l s SER 6 Ca 0.29 0.53 -0.22 0.00 0.48 0.00 0.00 55.95 57.03 1v5l s SER 6 Cb -0.13 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.14 1v5l s SER 6 CO 0.64 -0.08 1.74 -0.83 0.98 0.00 0.00 173.24 175.69 1v5l s GLY 7 N 1.26 0.84 0.12 7.32 0.00 -0.74 -4.91 107.32 111.22 1v5l s GLY 7 Ca -0.08 -2.19 -0.30 0.00 0.00 0.00 0.00 44.72 42.14 1v5l s GLY 7 CO -0.13 3.08 1.23 0.54 0.00 0.00 0.00 173.10 177.82 1v5l s ASN 8 N 5.92 7.04 -0.19 1.64 4.22 -1.26 -1.32 114.94 130.98 1v5l s ASN 8 Ca 0.59 2.15 -0.04 0.00 -2.14 0.00 0.00 52.86 53.42 1v5l s ASN 8 Cb -0.01 -2.59 0.09 0.00 1.28 0.00 0.00 41.25 40.02 1v5l s ASN 8 CO 0.01 -0.47 0.22 -0.69 -2.04 0.00 0.00 177.10 174.13 1v5l s VAL 9 N 0.66 -0.32 -0.25 3.54 1.01 -1.08 -4.98 120.40 118.98 1v5l s VAL 9 Ca 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 1v5l s VAL 9 Cb -0.32 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1v5l s VAL 9 CO 0.32 -0.18 -0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1v5l s VAL 10 N 2.32 2.78 -0.02 2.92 1.01 -1.26 -0.66 120.40 127.49 1v5l s VAL 10 Ca 0.06 -1.09 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 1v5l s VAL 10 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1v5l s VAL 10 CO -0.12 0.18 0.49 -0.76 0.00 0.00 0.00 175.10 174.89 1v5l s LEU 11 N 1.30 4.42 -0.05 3.92 1.43 -0.29 -4.92 118.68 124.49 1v5l s LEU 11 Ca -0.01 1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.81 1v5l s LEU 11 Cb -0.17 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 1v5l s LEU 11 CO -0.05 0.19 1.49 -2.16 0.23 0.00 0.00 176.35 176.05 1v5l s PRO 12 N -0.47 4.22 0.00 1.29 0.04 -1.26 -1.67 135.00 137.15 1v5l s PRO 12 Ca 0.26 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1v5l s PRO 12 Cb -0.17 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1v5l s PRO 12 CO 0.14 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1v5l n GLY 13 N 3.86 5.68 3.39 0.56 0.00 0.58 -4.87 105.19 114.39 1v5l n GLY 13 Ca 0.15 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1v5l n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5l n PRO 14 N 0.00 -3.08 -0.71 1.61 -0.04 -1.15 -4.78 135.00 126.84 1v5l n PRO 14 Ca 0.00 -1.69 -0.33 0.00 -0.04 0.00 0.00 63.50 61.44 1v5l n PRO 14 Cb 0.00 -1.58 0.15 0.00 -0.04 0.00 0.00 33.50 32.03 1v5l n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v5l n ALA 15 N -4.81 -4.05 -1.06 0.55 0.00 -1.26 -4.80 120.51 105.08 1v5l n ALA 15 Ca -0.20 -1.19 -0.20 0.00 0.00 0.00 0.00 53.44 51.86 1v5l n ALA 15 Cb 0.57 -1.51 0.25 0.00 0.00 0.00 0.00 19.45 18.76 1v5l n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1v5l n PRO 16 N -1.68 -3.17 -0.02 0.00 -0.04 -1.26 -5.16 135.00 123.68 1v5l n PRO 16 Ca 0.01 -1.76 -0.06 0.00 -0.04 0.00 0.00 63.50 61.65 1v5l n PRO 16 Cb 0.62 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1v5l n PRO 16 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1v5l n TRP 17 N -4.88 0.00 0.00 0.54 7.02 -1.26 -4.91 117.44 113.95 1v5l n TRP 17 Ca 0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 1v5l n TRP 17 Cb 0.59 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 1v5l n TRP 17 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1v5l n GLY 18 N 2.71 1.31 3.10 6.99 0.00 -1.26 -1.77 105.19 116.27 1v5l n GLY 18 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1v5l n GLY 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1v5l s PHE 19 N -2.00 -0.27 0.50 1.61 -0.12 -1.26 -0.28 117.98 116.15 1v5l s PHE 19 Ca 0.00 0.66 0.09 0.00 -0.05 0.00 0.00 56.93 57.63 1v5l s PHE 19 Cb 0.00 0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1v5l s PHE 19 CO 0.00 -0.15 0.69 1.03 -0.05 0.00 0.00 175.22 176.74 1v5l s ARG 20 N 0.37 2.55 0.09 1.99 1.81 0.30 -4.96 118.95 121.10 1v5l s ARG 20 Ca -0.02 -1.46 -0.09 0.00 -1.72 0.00 0.00 55.73 52.44 1v5l s ARG 20 Cb -0.04 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 1v5l s ARG 20 CO -0.02 -0.59 0.20 -0.48 -0.68 0.00 0.00 175.30 173.73 1v5l s LEU 21 N -4.52 1.37 -0.08 2.53 0.05 -1.26 -2.52 118.68 114.25 1v5l s LEU 21 Ca 0.59 -0.63 -0.20 0.00 0.05 0.00 0.00 54.13 53.94 1v5l s LEU 21 Cb -0.08 1.07 0.04 0.00 -2.05 0.00 0.00 46.19 45.18 1v5l s LEU 21 CO 0.36 -0.73 0.46 -0.55 -0.55 0.00 0.00 176.35 175.34 1v5l s SER 22 N -2.85 -0.42 0.00 1.48 0.15 0.52 -4.61 113.70 107.98 1v5l s SER 22 Ca 0.05 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1v5l s SER 22 Cb 0.05 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1v5l s SER 22 CO -0.11 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1v5l n GLY 23 N 1.71 0.06 0.00 9.45 0.00 -1.26 -1.83 105.19 113.33 1v5l n GLY 23 Ca -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1v5l n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5l n GLY 24 N 0.00 4.59 0.44 -0.02 0.00 0.51 -4.49 105.19 106.21 1v5l n GLY 24 Ca 0.00 -0.77 0.25 0.00 0.00 0.00 0.00 46.02 45.50 1v5l n GLY 24 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1v5l h ILE 25 N 0.00 0.53 0.00 -0.61 3.07 -1.71 0.68 117.51 119.47 1v5l h ILE 25 Ca 0.00 -0.09 -0.11 0.00 1.55 0.00 0.00 64.86 66.20 1v5l h ILE 25 Cb 0.00 0.23 -0.02 0.00 -0.27 0.00 0.00 36.82 36.77 1v5l h ILE 25 CO 0.00 0.05 -0.53 -0.78 -1.05 0.00 0.00 178.15 175.84 1v5l h ASP 26 N 0.27 0.00 -0.43 2.16 3.58 -1.89 -2.71 116.42 117.40 1v5l h ASP 26 Ca 0.55 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1v5l h ASP 26 Cb 1.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1v5l h ASP 26 CO -0.19 0.53 0.00 0.49 -2.88 0.00 0.00 179.24 177.19 1v5l n PHE 27 N -3.88 1.44 -4.23 0.28 3.01 0.23 -4.90 117.46 109.41 1v5l n PHE 27 Ca -0.01 -0.51 -0.36 0.00 1.01 0.00 0.00 57.45 57.57 1v5l n PHE 27 Cb 0.54 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 1v5l n PHE 27 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1v5l n ASN 28 N 0.52 -3.14 -3.86 4.37 0.23 -0.89 -4.82 115.26 107.68 1v5l n ASN 28 Ca 0.20 -1.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.11 1v5l n ASN 28 Cb 0.89 -2.70 -0.12 0.00 -2.08 0.00 0.00 39.78 35.77 1v5l n ASN 28 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1v5l s GLN 29 N -6.94 0.20 0.34 -3.83 -0.21 -0.99 -5.00 119.66 103.22 1v5l s GLN 29 Ca 0.72 -0.04 -0.28 0.00 0.02 0.00 0.00 55.36 55.79 1v5l s GLN 29 Cb -0.40 0.09 -0.10 0.00 1.00 0.00 0.00 33.01 33.61 1v5l s GLN 29 CO 0.93 -0.03 1.21 -1.25 -2.12 0.00 0.00 175.29 174.03 1v5l s PRO 30 N -0.36 4.33 -0.78 2.91 0.04 -1.26 -0.36 135.00 139.52 1v5l s PRO 30 Ca -0.04 2.00 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 1v5l s PRO 30 Cb -0.03 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1v5l s PRO 30 CO 0.00 -0.13 1.41 -0.51 0.04 0.00 0.00 177.00 177.81 1v5l s LEU 31 N -1.92 3.24 0.30 -3.56 1.43 -1.26 -4.36 118.68 112.56 1v5l s LEU 31 Ca 0.50 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1v5l s LEU 31 Cb -0.35 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 1v5l s LEU 31 CO 0.46 -1.87 -0.04 0.68 0.23 0.00 0.00 176.35 175.80 1v5l s VAL 32 N 6.15 2.92 0.25 -1.59 -7.23 -0.76 0.39 120.40 120.54 1v5l s VAL 32 Ca 0.42 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 1v5l s VAL 32 Cb -0.07 -2.71 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1v5l s VAL 32 CO 0.10 -0.31 1.21 -0.63 -0.31 0.00 0.00 175.10 175.16 1v5l s ILE 33 N -2.44 3.29 -0.21 -0.62 1.01 -1.14 -0.35 121.20 120.74 1v5l s ILE 33 Ca 0.32 1.18 0.13 0.00 0.00 0.00 0.00 60.65 62.28 1v5l s ILE 33 Cb -0.04 -3.75 -0.22 0.00 0.01 0.00 0.00 42.46 38.46 1v5l s ILE 33 CO 0.19 0.24 -0.02 0.35 0.00 0.00 0.00 174.94 175.69 1v5l n THR 34 N 1.76 1.38 -3.66 2.92 -2.24 -1.05 -2.09 114.28 111.30 1v5l n THR 34 Ca 0.02 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 1v5l n THR 34 Cb 0.44 -0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 1v5l n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1v5l s ARG 35 N -2.48 0.97 -0.03 -0.78 1.81 -1.26 -4.81 118.95 112.36 1v5l s ARG 35 Ca -0.17 -0.53 -0.00 0.00 -1.72 0.00 0.00 55.73 53.31 1v5l s ARG 35 Cb 0.07 0.43 0.03 0.00 -0.45 0.00 0.00 34.95 35.02 1v5l s ARG 35 CO 0.74 -0.35 0.02 0.42 -0.68 0.00 0.00 175.30 175.45 1v5l s ILE 36 N -3.05 0.02 -0.16 1.52 -1.09 -1.26 -0.54 121.20 116.64 1v5l s ILE 36 Ca -0.02 0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 58.32 1v5l s ILE 36 Cb 0.00 -0.17 -0.05 0.00 -1.58 0.00 0.00 42.46 40.67 1v5l s ILE 36 CO -0.07 0.13 1.94 -0.89 -1.23 0.00 0.00 174.94 174.82 1v5l s THR 37 N 1.25 3.25 -0.84 2.92 2.01 0.61 -4.87 115.64 119.97 1v5l s THR 37 Ca -0.07 0.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.97 1v5l s THR 37 Cb -0.13 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1v5l s THR 37 CO -0.03 -0.12 1.93 -2.16 -0.69 0.00 0.00 174.62 173.55 1v5l s PRO 38 N 5.30 2.57 0.00 4.92 0.04 -1.26 -3.10 135.00 143.46 1v5l s PRO 38 Ca 0.87 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1v5l s PRO 38 Cb -0.32 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1v5l s PRO 38 CO 0.35 -3.24 0.00 0.41 0.04 0.00 0.00 177.00 174.56 1v5l n GLY 39 N 6.61 0.75 1.91 0.56 0.00 -1.26 -5.06 105.19 108.69 1v5l n GLY 39 Ca 0.36 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1v5l n GLY 39 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5l n SER 40 N 0.00 -1.13 0.12 1.61 3.41 -1.23 -4.97 113.62 111.43 1v5l n SER 40 Ca 0.00 -1.77 0.19 0.00 -0.26 0.00 0.00 58.87 57.03 1v5l n SER 40 Cb 0.00 1.88 0.76 0.00 -0.26 0.00 0.00 64.21 66.60 1v5l n SER 40 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1v5l h LYS 41 N 0.00 0.00 0.00 4.33 1.79 -1.90 0.34 116.57 121.13 1v5l h LYS 41 Ca -0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1v5l h LYS 41 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1v5l h LYS 41 CO 0.21 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.58 1v5l n ALA 42 N -2.41 -0.09 -0.20 3.86 0.00 -0.73 -3.26 120.51 117.68 1v5l n ALA 42 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 1v5l n ALA 42 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 1v5l n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5l h ALA 43 N -2.00 0.76 0.00 0.00 0.00 -1.47 0.20 119.26 116.75 1v5l h ALA 43 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1v5l h ALA 43 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1v5l h ALA 43 CO 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 179.25 179.20 1v5l n ALA 44 N -2.47 0.82 -0.84 0.00 0.00 0.12 0.17 120.51 118.32 1v5l n ALA 44 Ca 0.08 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.71 1v5l n ALA 44 Cb 0.26 -1.00 0.38 0.00 0.00 0.00 0.00 19.45 19.09 1v5l n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5l n ALA 45 N -1.62 3.93 -2.31 0.00 0.00 0.71 -4.89 120.51 116.32 1v5l n ALA 45 Ca -0.01 -1.89 -0.18 0.00 0.00 0.00 0.00 53.44 51.36 1v5l n ALA 45 Cb 0.17 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.47 1v5l n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1v5l n ASN 46 N 0.51 -5.35 -4.78 0.00 3.02 0.13 -4.97 115.26 103.82 1v5l n ASN 46 Ca 0.28 0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 54.45 1v5l n ASN 46 Cb 1.19 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.89 1v5l n ASN 46 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1v5l s LEU 47 N -5.25 4.52 -0.01 3.41 1.43 -1.19 -5.04 118.68 116.55 1v5l s LEU 47 Ca 0.00 1.41 -0.04 0.00 -1.03 0.00 0.00 54.13 54.47 1v5l s LEU 47 Cb 0.00 -3.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.13 1v5l s LEU 47 CO 0.00 0.19 0.08 0.00 0.23 0.00 0.00 176.35 176.85 1v5l s PRO 49 N -0.89 2.64 0.00 0.00 0.04 -1.26 -3.15 135.00 132.37 1v5l s PRO 49 Ca -0.10 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1v5l s PRO 49 Cb -0.06 -4.38 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1v5l s PRO 49 CO 0.00 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1v5l n GLY 50 N 5.69 0.44 3.71 0.56 0.00 -0.89 -4.91 105.19 109.80 1v5l n GLY 50 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1v5l n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1v5l s ASP 51 N 0.00 3.91 -0.30 1.61 1.11 -1.19 -4.74 116.67 117.07 1v5l s ASP 51 Ca 0.00 2.41 -0.11 0.00 0.18 0.00 0.00 52.55 55.03 1v5l s ASP 51 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1v5l s ASP 51 CO 0.00 -2.46 0.19 -0.69 1.18 0.00 0.00 175.17 173.39 1v5l s VAL 52 N -1.98 5.08 -0.43 -1.27 1.01 -1.26 -2.86 120.40 118.69 1v5l s VAL 52 Ca 0.75 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 1v5l s VAL 52 Cb -0.30 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1v5l s VAL 52 CO 0.47 0.13 1.04 -0.63 0.00 0.00 0.00 175.10 176.12 1v5l s ILE 53 N 1.71 4.38 -0.15 2.22 -1.09 0.16 -3.24 121.20 125.18 1v5l s ILE 53 Ca 0.06 1.20 -0.22 0.00 -2.23 0.00 0.00 60.65 59.46 1v5l s ILE 53 Cb -0.17 -4.49 -0.24 0.00 -1.58 0.00 0.00 42.46 35.99 1v5l s ILE 53 CO 0.09 -0.81 0.48 -0.07 -1.23 0.00 0.00 174.94 173.41 1v5l h LEU 54 N 10.70 0.13 -7.94 2.97 3.38 -1.04 -3.40 115.31 120.12 1v5l h LEU 54 Ca -0.23 -0.76 -0.33 0.00 0.09 0.00 0.00 57.88 56.65 1v5l h LEU 54 Cb 1.07 -0.04 -0.28 0.00 0.09 0.00 0.00 40.66 41.49 1v5l h LEU 54 CO 1.07 1.40 -0.76 0.00 0.09 0.00 0.00 178.44 180.24 1v5l s ALA 55 N -2.36 0.48 -0.11 1.53 0.00 -1.20 -0.38 121.76 119.72 1v5l s ALA 55 Ca -0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1v5l s ALA 55 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1v5l s ALA 55 CO 0.68 0.11 -0.07 0.42 0.00 0.00 0.00 175.76 176.90 1v5l s ILE 56 N -0.21 3.63 -0.97 0.00 1.01 0.80 -2.15 121.20 123.30 1v5l s ILE 56 Ca 0.01 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 1v5l s ILE 56 Cb -0.03 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 40.02 1v5l s ILE 56 CO -0.00 0.55 0.31 0.47 0.00 0.00 0.00 174.94 176.27 1v5l n ASP 57 N 2.93 -1.95 -0.51 3.58 8.00 0.30 0.60 116.55 129.51 1v5l n ASP 57 Ca -0.18 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1v5l n ASP 57 Cb 0.53 -1.72 0.00 0.00 -0.02 0.00 0.00 41.12 39.91 1v5l n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1v5l n GLY 58 N -0.85 0.95 2.87 0.44 0.00 -1.24 -4.86 105.19 102.50 1v5l n GLY 58 Ca 0.03 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 1v5l n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v5l s PHE 59 N -2.99 -0.72 0.59 1.61 0.08 0.20 -5.13 117.98 111.62 1v5l s PHE 59 Ca 0.00 0.51 -0.18 0.00 0.12 0.00 0.00 56.93 57.38 1v5l s PHE 59 Cb 0.00 -0.14 -0.06 0.00 -0.57 0.00 0.00 43.02 42.25 1v5l s PHE 59 CO 0.00 -0.78 0.78 0.41 -0.10 0.00 0.00 175.22 175.54 1v5l n GLY 60 N 5.35 -0.80 1.76 4.36 0.00 -1.26 -0.14 105.19 114.45 1v5l n GLY 60 Ca -0.03 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1v5l n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1v5l n THR 61 N -1.73 2.50 -0.02 2.61 -2.24 0.49 -4.35 114.28 111.55 1v5l n THR 61 Ca 0.13 -1.32 -0.16 0.00 -2.27 0.00 0.00 64.05 60.43 1v5l n THR 61 Cb 0.47 -1.28 -0.10 0.00 -2.10 0.00 0.00 70.33 67.32 1v5l n THR 61 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1v5l h GLU 62 N 1.22 0.33 0.00 -0.78 4.11 -1.88 -3.36 114.58 114.21 1v5l h GLU 62 Ca 0.24 -0.32 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1v5l h GLU 62 Cb 1.05 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1v5l h GLU 62 CO 0.58 0.99 -0.14 0.43 0.07 0.00 0.00 179.01 180.94 1v5l n SER 63 N -4.36 1.79 -4.42 3.06 7.64 -1.26 -5.00 113.62 111.07 1v5l n SER 63 Ca -0.09 -2.87 -0.39 0.00 1.01 0.00 0.00 58.87 56.52 1v5l n SER 63 Cb 0.57 -0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.28 1v5l n SER 63 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1v5l s MET 64 N -2.22 3.15 0.48 1.43 0.00 -1.26 -5.07 119.30 115.81 1v5l s MET 64 Ca 0.25 -0.85 -0.05 0.00 0.00 0.00 0.00 55.69 55.03 1v5l s MET 64 Cb 0.22 -3.65 -0.04 0.00 0.00 0.00 0.00 34.83 31.36 1v5l s MET 64 CO 0.02 -0.53 0.79 0.95 0.00 0.00 0.00 175.02 176.25 1v5l s THR 65 N 1.60 4.90 0.24 10.11 -4.23 -1.26 -4.11 115.64 122.89 1v5l s THR 65 Ca 0.04 0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.63 1v5l s THR 65 Cb -0.18 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.10 1v5l s THR 65 CO 0.07 -0.85 1.55 -0.74 -0.54 0.00 0.00 174.62 174.11 1v5l h HIS 66 N 0.24 -0.94 -0.89 3.99 2.76 -1.89 1.14 115.15 119.56 1v5l h HIS 66 Ca -0.47 0.10 0.07 0.00 -2.20 0.00 0.00 60.37 57.87 1v5l h HIS 66 Cb 1.20 0.56 -0.06 0.00 1.55 0.00 0.00 27.41 30.67 1v5l h HIS 66 CO 0.59 -0.41 0.58 0.00 -1.30 0.00 0.00 177.93 177.38 1v5l h ALA 67 N 1.54 1.55 0.17 5.26 0.00 -1.93 -2.34 119.26 123.51 1v5l h ALA 67 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1v5l h ALA 67 Cb 0.63 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1v5l h ALA 67 CO -1.00 0.32 -0.08 0.22 0.00 0.00 0.00 179.25 178.70 1v5l h ASP 68 N 0.99 -0.19 -1.03 0.00 1.82 0.78 -3.16 116.42 115.63 1v5l h ASP 68 Ca 0.38 -0.31 0.28 0.00 -0.39 0.00 0.00 57.03 56.99 1v5l h ASP 68 Cb 0.23 0.05 -0.12 0.00 0.68 0.00 0.00 39.33 40.16 1v5l h ASP 68 CO -0.15 0.25 0.62 0.00 -1.61 0.00 0.00 179.24 178.36 1v5l h ALA 69 N 0.02 1.98 -0.97 -0.78 0.00 -0.19 0.35 119.26 119.67 1v5l h ALA 69 Ca -0.02 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1v5l h ALA 69 Cb 0.49 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1v5l h ALA 69 CO 0.04 -0.48 0.62 1.96 0.00 0.00 0.00 179.25 181.39 1v5l h GLN 70 N 0.45 1.11 0.00 0.00 1.08 -1.39 0.17 115.11 116.53 1v5l h GLN 70 Ca 0.67 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.80 1v5l h GLN 70 Cb 1.47 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1v5l h GLN 70 CO -0.47 0.73 0.00 -3.47 -0.95 0.00 0.00 178.83 174.68 1v5l n ASP 71 N -4.52 0.26 -0.06 1.46 2.03 0.12 -1.35 116.55 114.49 1v5l n ASP 71 Ca 0.15 0.57 -0.09 0.00 0.52 0.00 0.00 54.79 55.93 1v5l n ASP 71 Cb 0.18 -0.62 -0.15 0.00 -0.72 0.00 0.00 41.12 39.80 1v5l n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1v5l n ARG 72 N -1.79 0.66 0.06 -0.67 5.12 0.49 -3.25 116.66 117.29 1v5l n ARG 72 Ca 0.03 0.15 -0.22 0.00 -1.93 0.00 0.00 57.85 55.87 1v5l n ARG 72 Cb 0.18 -1.66 -0.15 0.00 -1.16 0.00 0.00 32.46 29.67 1v5l n ARG 72 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1v5l h ILE 73 N 0.00 1.23 -0.17 0.55 2.04 -0.87 -2.95 117.51 117.34 1v5l h ILE 73 Ca -0.42 -2.52 -0.17 0.00 1.00 0.00 0.00 64.86 62.75 1v5l h ILE 73 Cb 2.13 2.95 -0.00 0.00 -0.74 0.00 0.00 36.82 41.16 1v5l h ILE 73 CO 0.05 0.75 -0.59 0.07 0.00 0.00 0.00 178.15 178.44 1v5l h LYS 74 N -0.18 0.56 -0.75 2.37 2.10 -1.42 -2.95 116.57 116.31 1v5l h LYS 74 Ca -0.25 -0.37 -0.04 0.00 -2.00 0.00 0.00 60.65 57.99 1v5l h LYS 74 Cb 1.85 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 33.21 1v5l h LYS 74 CO 0.15 0.98 0.05 0.00 -2.00 0.00 0.00 179.45 178.64 1v5l n ALA 75 N -2.52 3.61 -0.56 0.07 0.00 -1.20 -4.96 120.51 114.94 1v5l n ALA 75 Ca -0.04 -1.41 -0.10 0.00 0.00 0.00 0.00 53.44 51.90 1v5l n ALA 75 Cb 0.63 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 19.12 1v5l n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v5l n ALA 76 N 0.31 -2.84 -2.69 0.00 0.00 -1.11 -4.95 120.51 109.23 1v5l n ALA 76 Ca 0.22 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 1v5l n ALA 76 Cb 0.96 -0.07 -0.08 0.00 0.00 0.00 0.00 19.45 20.26 1v5l n ALA 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1v5l s SER 77 N -2.43 3.77 0.55 0.00 0.01 -1.26 -4.95 113.70 109.40 1v5l s SER 77 Ca 0.36 -1.65 0.45 0.00 1.31 0.00 0.00 55.95 56.42 1v5l s SER 77 Cb -0.06 0.48 1.53 0.00 0.21 0.00 0.00 66.02 68.18 1v5l s SER 77 CO 0.30 -0.86 1.46 0.00 0.41 0.00 0.00 173.24 174.56 1v5l n TYR 78 N -1.16 0.00 -3.75 2.43 4.11 -1.26 -3.84 117.16 113.69 1v5l n TYR 78 Ca -0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.55 1v5l n TYR 78 Cb 0.66 -0.44 -0.17 0.00 -0.00 0.00 0.00 39.34 39.39 1v5l n TYR 78 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 1v5l s GLN 79 N -4.71 0.21 0.10 -3.48 1.03 -1.26 0.22 119.66 111.77 1v5l s GLN 79 Ca -0.04 0.23 -0.17 0.00 0.04 0.00 0.00 55.36 55.41 1v5l s GLN 79 Cb 0.24 -0.64 -0.07 0.00 0.03 0.00 0.00 33.01 32.57 1v5l s GLN 79 CO 0.79 -0.28 0.56 -1.17 -2.54 0.00 0.00 175.29 172.65 1v5l s LEU 80 N 1.86 4.45 -0.16 2.60 2.96 -0.67 -4.93 118.68 124.79 1v5l s LEU 80 Ca 0.02 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 1v5l s LEU 80 Cb -0.12 -3.03 0.01 0.00 0.50 0.00 0.00 46.19 43.54 1v5l s LEU 80 CO -0.03 0.21 -0.19 0.00 -1.32 0.00 0.00 176.35 175.01 1v5l s LEU 82 N 0.97 0.94 -0.15 0.00 1.43 0.16 0.11 118.68 122.13 1v5l s LEU 82 Ca -0.03 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 1v5l s LEU 82 Cb -0.15 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 1v5l s LEU 82 CO -0.04 -0.23 0.46 -0.75 0.23 0.00 0.00 176.35 176.01 1v5l s LYS 83 N 1.88 4.27 0.19 1.70 2.20 -0.91 -2.62 119.74 126.44 1v5l s LYS 83 Ca 0.02 0.37 0.10 0.00 -0.36 0.00 0.00 55.97 56.10 1v5l s LYS 83 Cb -0.14 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1v5l s LYS 83 CO -0.07 0.06 -0.13 0.96 -0.36 0.00 0.00 175.35 175.81 1v5l s ILE 84 N 0.95 2.97 0.10 5.43 -4.36 -0.43 -0.44 121.20 125.42 1v5l s ILE 84 Ca 0.24 -1.76 0.10 0.00 -0.26 0.00 0.00 60.65 58.96 1v5l s ILE 84 Cb -0.15 -2.46 -0.11 0.00 1.25 0.00 0.00 42.46 40.99 1v5l s ILE 84 CO 0.09 -0.12 1.40 -0.78 0.24 0.00 0.00 174.94 175.77 1v5l h ASP 85 N 2.97 0.00 -4.30 4.36 1.82 -1.87 -1.95 116.42 117.45 1v5l h ASP 85 Ca -0.47 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 55.96 1v5l h ASP 85 Cb 1.21 0.00 0.11 0.00 0.68 0.00 0.00 39.33 41.32 1v5l h ASP 85 CO 0.53 0.80 -0.48 -1.14 -1.61 0.00 0.00 179.24 177.34 1v5l n ARG 86 N -3.42 -4.38 -2.31 0.28 0.63 -1.26 -4.04 116.66 102.16 1v5l n ARG 86 Ca 0.00 0.54 -0.43 0.00 -0.92 0.00 0.00 57.85 57.04 1v5l n ARG 86 Cb 0.82 -4.66 -0.02 0.00 0.45 0.00 0.00 32.46 29.04 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1v5l s ALA 87 N -3.23 3.15 0.21 5.13 0.00 -1.26 -4.52 121.76 121.24 1v5l s ALA 87 Ca 0.06 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.94 1v5l s ALA 87 Cb -0.02 -3.89 0.16 0.00 0.00 0.00 0.00 23.12 19.37 1v5l s ALA 87 CO 0.47 -2.19 1.88 1.05 0.00 0.00 0.00 175.76 176.97 1v5l h GLU 88 N 10.49 1.01 0.00 0.00 4.11 -2.00 -3.31 114.58 124.88 1v5l h GLU 88 Ca -0.28 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.08 1v5l h GLU 88 Cb 1.11 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1v5l h GLU 88 CO 1.06 0.68 -1.06 2.41 0.07 0.00 0.00 179.01 182.16 1v5l n THR 89 N -4.54 0.01 -3.37 -1.06 -1.04 -1.26 -5.03 114.28 97.99 1v5l n THR 89 Ca 0.07 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.86 1v5l n THR 89 Cb 0.02 0.28 0.07 0.00 -1.82 0.00 0.00 70.33 68.88 1v5l n THR 89 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1v5l n ARG 90 N -1.61 -6.43 0.00 -2.82 1.74 -1.25 -4.95 116.66 101.34 1v5l n ARG 90 Ca -0.00 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1v5l n ARG 90 Cb 0.10 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.20 1v5l n ARG 90 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1v5l n LEU 91 N -4.13 0.00 -3.84 0.55 7.94 -1.26 -5.03 117.00 111.24 1v5l n LEU 91 Ca -0.05 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.56 1v5l n LEU 91 Cb 0.57 -0.15 -0.16 0.00 0.53 0.00 0.00 43.42 44.21 1v5l n LEU 91 CO 0.54 -0.42 -0.40 0.86 -1.11 0.00 0.00 177.39 176.86 1v5l s TRP 92 N -0.85 1.65 -0.28 1.96 -0.11 -1.26 -5.10 118.94 114.95 1v5l s TRP 92 Ca 0.00 -1.23 -0.26 0.00 1.22 0.00 0.00 56.10 55.83 1v5l s TRP 92 Cb 0.00 -1.28 0.16 0.00 -1.50 0.00 0.00 33.47 30.86 1v5l s TRP 92 CO 0.00 -0.67 1.26 0.45 -4.62 0.00 0.00 176.95 173.37 1v5l s SER 93 N 1.65 -0.20 0.53 5.86 0.15 -1.26 -5.09 113.70 115.34 1v5l s SER 93 Ca -0.03 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1v5l s SER 93 Cb -0.17 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1v5l s SER 93 CO -0.07 -0.10 0.00 -0.81 1.20 0.00 0.00 173.24 173.46 1v5l n PRO 94 N 1.52 -0.08 -0.17 5.44 -0.04 -1.26 -4.87 135.00 135.54 1v5l n PRO 94 Ca -0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1v5l n PRO 94 Cb 0.57 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.11 1v5l n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v5l n GLN 95 N -0.81 1.72 -3.53 0.54 0.00 -1.26 -4.85 117.38 109.20 1v5l n GLN 95 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 57.00 56.01 1v5l n GLN 95 Cb 0.00 -1.57 -0.06 0.00 0.00 0.00 0.00 30.24 28.60 1v5l n GLN 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1v5l s VAL 96 N -1.42 5.13 -0.19 -0.39 1.01 -1.26 -4.89 120.40 118.39 1v5l s VAL 96 Ca 0.11 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 1v5l s VAL 96 Cb 0.08 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1v5l s VAL 96 CO 0.04 0.53 0.29 -0.55 0.00 0.00 0.00 175.10 175.41 1v5l s SER 97 N -0.70 6.37 0.57 3.32 0.15 -1.24 -4.90 113.70 117.26 1v5l s SER 97 Ca 0.22 0.42 -0.20 0.00 0.70 0.00 0.00 55.95 57.09 1v5l s SER 97 Cb -0.16 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 61.94 1v5l s SER 97 CO 0.11 0.05 1.25 -0.94 1.20 0.00 0.00 173.24 174.91 1v5l s SER 98 N 0.72 5.27 0.06 5.45 1.04 -1.26 -4.25 113.70 120.73 1v5l s SER 98 Ca 0.15 2.51 0.00 0.00 0.48 0.00 0.00 55.95 59.09 1v5l s SER 98 Cb -0.13 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1v5l s SER 98 CO 0.05 -1.55 0.00 0.61 0.98 0.00 0.00 173.24 173.33 1v5l n GLY 99 N 0.61 -1.73 3.77 7.32 0.00 -1.26 -4.94 105.19 108.97 1v5l n GLY 99 Ca 0.12 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1v5l n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5l s PRO 100 N -0.17 3.62 0.03 1.61 0.04 -1.26 -4.98 135.00 133.89 1v5l s PRO 100 Ca 0.00 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 1v5l s PRO 100 Cb 0.00 -2.27 -0.17 0.00 0.04 0.00 0.00 34.50 32.09 1v5l s PRO 100 CO 0.00 -0.65 1.35 1.03 0.04 0.00 0.00 177.00 178.77 1v5l h SER 101 N 1.77 -0.71 0.56 6.66 0.87 -2.06 -3.33 113.55 117.31 1v5l h SER 101 Ca -0.50 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 1v5l h SER 101 Cb 1.25 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 63.40 1v5l h SER 101 CO 0.59 -0.39 -0.27 0.28 -0.53 0.00 0.00 176.83 176.51 1v5l h SER 102 N -1.03 -0.64 0.00 6.23 0.02 -2.05 -3.56 113.55 112.52 1v5l h SER 102 Ca -0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1v5l h SER 102 Cb 0.69 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1v5l h SER 102 CO 0.14 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.20