#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5l s SER 2 N 0.00 5.99 0.17 1.61 1.04 -1.26 -4.98 113.70 116.27 1v5l s SER 2 Ca 0.00 0.78 0.08 0.00 0.48 0.00 0.00 55.95 57.29 1v5l s SER 2 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 1v5l s SER 2 CO 0.00 -1.72 -0.17 -0.55 0.98 0.00 0.00 173.24 171.78 1v5l s SER 3 N 5.34 2.58 0.00 7.02 0.15 -1.26 -5.11 113.70 122.42 1v5l s SER 3 Ca 0.66 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1v5l s SER 3 Cb -0.16 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 1v5l s SER 3 CO 0.29 -0.09 0.35 0.61 1.20 0.00 0.00 173.24 175.61 1v5l n GLY 4 N 0.11 -1.73 2.91 9.45 0.00 -1.26 -4.84 105.19 109.84 1v5l n GLY 4 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 1v5l n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v5l n SER 5 N -0.48 -5.21 -4.74 1.61 2.88 -1.26 -4.41 113.62 102.02 1v5l n SER 5 Ca 0.00 -0.32 -0.42 0.00 -1.33 0.00 0.00 58.87 56.80 1v5l n SER 5 Cb 0.00 -3.92 -0.02 0.00 -0.75 0.00 0.00 64.21 59.51 1v5l n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v5l s SER 6 N -3.03 6.64 -0.77 -3.46 1.04 -1.26 -4.80 113.70 108.06 1v5l s SER 6 Ca 0.35 2.64 -0.20 0.00 0.48 0.00 0.00 55.95 59.23 1v5l s SER 6 Cb -0.15 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.47 1v5l s SER 6 CO 0.43 -0.74 0.96 -0.83 0.98 0.00 0.00 173.24 174.04 1v5l s GLY 7 N 0.60 1.79 0.29 7.32 0.00 -0.63 -4.99 107.32 111.69 1v5l s GLY 7 Ca 0.62 -2.42 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 1v5l s GLY 7 CO 0.40 1.87 1.06 0.54 0.00 0.00 0.00 173.10 176.98 1v5l s ASN 8 N 3.54 7.29 -0.24 1.64 4.22 -1.26 -2.00 114.94 128.13 1v5l s ASN 8 Ca 0.24 2.19 -0.04 0.00 -2.14 0.00 0.00 52.86 53.11 1v5l s ASN 8 Cb -0.13 -2.62 0.10 0.00 1.28 0.00 0.00 41.25 39.88 1v5l s ASN 8 CO -0.00 -0.12 0.18 -0.69 -2.04 0.00 0.00 177.10 174.42 1v5l s VAL 9 N -1.22 -0.21 -0.47 3.54 1.01 -1.14 -4.99 120.40 116.92 1v5l s VAL 9 Ca 0.45 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 1v5l s VAL 9 Cb -0.30 -0.80 0.12 0.00 0.00 0.00 0.00 36.38 35.40 1v5l s VAL 9 CO 0.38 -0.43 0.35 -0.69 0.00 0.00 0.00 175.10 174.71 1v5l s VAL 10 N 2.22 4.31 0.04 2.92 1.01 -1.26 -1.43 120.40 128.22 1v5l s VAL 10 Ca 0.07 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.10 1v5l s VAL 10 Cb -0.16 -3.82 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1v5l s VAL 10 CO -0.23 -0.76 0.67 -0.76 0.00 0.00 0.00 175.10 174.02 1v5l s LEU 11 N 1.39 4.46 -0.05 3.92 1.43 -0.31 -4.91 118.68 124.61 1v5l s LEU 11 Ca 0.05 1.33 -0.30 0.00 -1.03 0.00 0.00 54.13 54.18 1v5l s LEU 11 Cb -0.26 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1v5l s LEU 11 CO -0.00 0.10 1.48 -2.16 0.23 0.00 0.00 176.35 176.00 1v5l s PRO 12 N -0.33 4.23 0.00 1.29 0.04 -1.26 -2.25 135.00 136.72 1v5l s PRO 12 Ca 0.34 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1v5l s PRO 12 Cb -0.20 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1v5l s PRO 12 CO 0.20 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.94 1v5l n GLY 13 N 3.84 5.15 1.35 0.56 0.00 0.30 -4.88 105.19 111.52 1v5l n GLY 13 Ca 0.15 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.85 -0.52 1.61 -0.04 -1.22 -4.86 135.00 128.12 1v5l n PRO 14 Ca 0.00 -0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 62.49 1v5l n PRO 14 Cb 0.00 -0.63 0.24 0.00 -0.04 0.00 0.00 33.50 33.07 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 -3.72 -2.75 -1.07 0.55 0.00 -1.26 -4.76 120.51 107.49 1v5l n ALA 15 Ca -0.08 -1.11 -0.30 0.00 0.00 0.00 0.00 53.44 51.95 1v5l n ALA 15 Cb 0.23 -1.98 0.25 0.00 0.00 0.00 0.00 19.45 17.95 1v5l n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1v5l s PRO 16 N -4.34 -1.62 -0.04 0.00 0.04 -1.26 -5.16 135.00 122.62 1v5l s PRO 16 Ca 0.67 -0.22 -0.08 0.00 0.04 0.00 0.00 61.00 61.42 1v5l s PRO 16 Cb -0.24 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1v5l s PRO 16 CO 0.64 -3.95 -0.16 0.91 0.04 0.00 0.00 177.00 174.49 1v5l n TRP 17 N -4.90 0.00 0.00 0.56 7.02 -1.26 -4.92 117.44 113.94 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 0.60 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 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 2.53 1.76 3.11 6.99 0.00 -1.26 -2.17 105.19 116.15 1v5l n GLY 18 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.91 -0.17 0.52 1.61 -0.12 -1.26 -1.81 117.98 114.84 1v5l s PHE 19 Ca 0.00 0.38 0.09 0.00 -0.05 0.00 0.00 56.93 57.35 1v5l s PHE 19 Cb 0.00 0.05 0.06 0.00 -0.63 0.00 0.00 43.02 42.50 1v5l s PHE 19 CO 0.00 -0.18 0.71 1.03 -0.05 0.00 0.00 175.22 176.73 1v5l s ARG 20 N -0.35 2.51 0.08 1.99 1.81 -0.78 -5.00 118.95 119.21 1v5l s ARG 20 Ca -0.05 -1.46 0.06 0.00 -1.72 0.00 0.00 55.73 52.57 1v5l s ARG 20 Cb -0.03 -2.68 -0.03 0.00 -0.45 0.00 0.00 34.95 31.75 1v5l s ARG 20 CO 0.01 -0.63 -0.17 -0.48 -0.68 0.00 0.00 175.30 173.34 1v5l s LEU 21 N -4.55 2.27 0.06 2.53 0.05 -1.26 -3.29 118.68 114.49 1v5l s LEU 21 Ca 0.59 -0.62 -0.03 0.00 0.05 0.00 0.00 54.13 54.12 1v5l s LEU 21 Cb -0.07 -0.69 -0.03 0.00 -2.05 0.00 0.00 46.19 43.35 1v5l s LEU 21 CO 0.37 -0.00 0.04 -0.55 -0.55 0.00 0.00 176.35 175.65 1v5l s SER 22 N -1.71 0.38 0.48 1.48 0.15 0.31 -4.42 113.70 110.36 1v5l s SER 22 Ca 0.02 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1v5l s SER 22 Cb -0.10 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1v5l s SER 22 CO 0.03 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1v5l n GLY 23 N 0.06 0.09 0.00 9.45 0.00 -1.26 -1.23 105.19 112.30 1v5l n GLY 23 Ca -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 4.33 0.06 -0.02 0.00 0.57 -4.53 105.19 105.61 1v5l n GLY 24 Ca 0.00 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.07 1v5l n GLY 24 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1v5l n ILE 25 N -1.68 1.33 0.04 -0.61 -5.35 -1.22 -1.22 119.36 110.65 1v5l n ILE 25 Ca 0.00 0.45 0.03 0.00 -0.27 0.00 0.00 62.75 62.97 1v5l n ILE 25 Cb 0.00 -1.38 -0.07 0.00 -1.74 0.00 0.00 39.64 36.45 1v5l n ILE 25 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1v5l n ASP 26 N -1.81 0.74 -1.59 7.28 2.03 -1.26 -3.93 116.55 118.01 1v5l n ASP 26 Ca 0.01 0.31 0.10 0.00 0.52 0.00 0.00 54.79 55.73 1v5l n ASP 26 Cb 0.09 0.44 0.36 0.00 -0.72 0.00 0.00 41.12 41.29 1v5l n ASP 26 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1v5l n PHE 27 N -2.77 1.44 -2.76 -0.67 3.72 -0.36 -4.92 117.46 111.14 1v5l n PHE 27 Ca -0.08 -0.59 -0.22 0.00 -0.05 0.00 0.00 57.45 56.52 1v5l n PHE 27 Cb 0.76 -0.21 0.01 0.00 -0.94 0.00 0.00 39.48 39.10 1v5l n PHE 27 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1v5l n ASN 28 N 1.27 -5.91 -3.95 4.37 3.02 -1.06 -4.88 115.26 108.12 1v5l n ASN 28 Ca 0.26 -0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 54.55 1v5l n ASN 28 Cb 0.86 -4.85 -0.11 0.00 -0.61 0.00 0.00 39.78 35.08 1v5l n ASN 28 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1v5l s GLN 29 N -5.42 0.38 0.58 3.52 -1.52 -0.71 -5.00 119.66 111.48 1v5l s GLN 29 Ca 0.17 -0.58 -0.18 0.00 -1.95 0.00 0.00 55.36 52.82 1v5l s GLN 29 Cb -0.08 0.14 -0.04 0.00 -0.22 0.00 0.00 33.01 32.82 1v5l s GLN 29 CO 0.21 -0.07 1.12 -1.25 -0.25 0.00 0.00 175.29 175.05 1v5l s PRO 30 N -1.56 3.17 -0.54 2.91 0.04 -1.26 -0.31 135.00 137.44 1v5l s PRO 30 Ca -0.15 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.15 1v5l s PRO 30 Cb -0.08 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1v5l s PRO 30 CO -0.01 -0.98 1.27 -0.51 0.04 0.00 0.00 177.00 176.81 1v5l s LEU 31 N -4.15 3.48 -0.02 -3.56 1.43 -1.26 -3.71 118.68 110.89 1v5l s LEU 31 Ca 0.71 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1v5l s LEU 31 Cb -0.23 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 1v5l s LEU 31 CO 0.32 -1.51 -0.15 0.68 0.23 0.00 0.00 176.35 175.92 1v5l s VAL 32 N 5.23 1.18 0.45 -1.59 -7.23 -0.36 -0.14 120.40 117.93 1v5l s VAL 32 Ca 0.48 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.77 1v5l s VAL 32 Cb -0.09 -0.99 -0.09 0.00 0.56 0.00 0.00 36.38 35.78 1v5l s VAL 32 CO 0.27 0.34 1.38 -0.38 -0.31 0.00 0.00 175.10 176.39 1v5l n ILE 33 N 2.78 2.79 -0.05 -0.62 5.41 -1.21 0.11 119.36 128.57 1v5l n ILE 33 Ca -0.15 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 62.88 1v5l n ILE 33 Cb 0.55 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 37.60 1v5l n ILE 33 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1v5l n THR 34 N -0.27 1.66 -3.88 1.39 -2.24 -1.21 -3.27 114.28 106.46 1v5l n THR 34 Ca 0.06 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1v5l n THR 34 Cb 0.41 -1.88 -0.06 0.00 -2.10 0.00 0.00 70.33 66.71 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 -2.47 1.21 0.03 -0.78 1.81 -1.26 -4.79 118.95 112.70 1v5l s ARG 35 Ca -0.26 -1.06 0.03 0.00 -1.72 0.00 0.00 55.73 52.72 1v5l s ARG 35 Cb 0.07 0.42 -0.02 0.00 -0.45 0.00 0.00 34.95 34.97 1v5l s ARG 35 CO 0.68 -0.47 -0.09 0.42 -0.68 0.00 0.00 175.30 175.15 1v5l s ILE 36 N -3.93 0.69 -0.36 1.52 -1.09 -1.26 -1.86 121.20 114.91 1v5l s ILE 36 Ca 0.14 -0.88 -0.28 0.00 -2.23 0.00 0.00 60.65 57.40 1v5l s ILE 36 Cb 0.02 -0.68 0.02 0.00 -1.58 0.00 0.00 42.46 40.24 1v5l s ILE 36 CO -0.01 -0.16 1.04 -0.89 -1.23 0.00 0.00 174.94 173.69 1v5l s THR 37 N -0.95 4.48 -0.90 2.92 2.01 -0.75 -4.96 115.64 117.49 1v5l s THR 37 Ca -0.04 1.48 -0.25 0.00 0.31 0.00 0.00 61.69 63.20 1v5l s THR 37 Cb -0.08 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 1v5l s THR 37 CO 0.01 -0.59 1.95 -2.16 -0.69 0.00 0.00 174.62 173.13 1v5l s PRO 38 N 3.74 2.55 0.00 4.92 0.04 -1.26 -3.28 135.00 141.71 1v5l s PRO 38 Ca 0.44 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1v5l s PRO 38 Cb -0.11 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.37 1v5l s PRO 38 CO 0.19 -3.38 0.00 0.41 0.04 0.00 0.00 177.00 174.26 1v5l n GLY 39 N 6.85 0.70 1.78 0.56 0.00 -1.26 -5.08 105.19 108.75 1v5l n GLY 39 Ca 0.40 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.81 0.20 1.61 3.41 -1.21 -4.96 113.62 111.87 1v5l n SER 40 Ca 0.00 -1.94 0.17 0.00 -0.26 0.00 0.00 58.87 56.83 1v5l n SER 40 Cb 0.00 1.46 0.82 0.00 -0.26 0.00 0.00 64.21 66.22 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 0.23 116.57 121.02 1v5l h LYS 41 Ca -0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 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 0.20 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.57 1v5l n ALA 42 N -2.36 -0.04 -0.28 3.86 0.00 -0.92 -3.02 120.51 117.76 1v5l n ALA 42 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1v5l n ALA 42 Cb 0.30 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.97 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 1.19 -0.00 0.00 0.00 -1.54 0.40 119.26 117.31 1v5l h ALA 43 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1v5l h ALA 43 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1v5l h ALA 43 CO 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.08 1v5l h ALA 44 N 1.57 1.30 -0.44 0.00 0.00 -0.72 -0.27 119.26 120.70 1v5l h ALA 44 Ca 0.45 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 1v5l h ALA 44 Cb 0.68 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1v5l h ALA 44 CO -0.40 -0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.00 1v5l n ALA 45 N -2.22 3.73 -3.58 0.00 0.00 0.14 -4.87 120.51 113.71 1v5l n ALA 45 Ca -0.03 -1.37 -0.22 0.00 0.00 0.00 0.00 53.44 51.81 1v5l n ALA 45 Cb 0.08 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.45 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 0.04 -4.76 -4.77 0.00 3.02 -0.11 -4.99 115.26 103.69 1v5l n ASN 46 Ca 0.24 -0.60 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 1v5l n ASN 46 Cb 0.97 -4.92 -0.08 0.00 -0.61 0.00 0.00 39.78 35.14 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 -7.01 3.91 0.01 3.41 1.43 -1.15 -5.03 118.68 114.26 1v5l s LEU 47 Ca 0.40 0.26 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 1v5l s LEU 47 Cb -0.18 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1v5l s LEU 47 CO 0.74 0.38 0.17 0.00 0.23 0.00 0.00 176.35 177.87 1v5l s PRO 49 N -1.78 2.88 0.00 0.00 0.04 -1.26 -3.30 135.00 131.58 1v5l s PRO 49 Ca -0.11 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1v5l s PRO 49 Cb -0.05 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1v5l s PRO 49 CO 0.00 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1v5l n GLY 50 N 5.58 0.25 3.78 0.56 0.00 -1.20 -4.94 105.19 109.21 1v5l n GLY 50 Ca 0.21 0.00 -0.35 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 5.81 -0.37 1.61 1.01 -1.21 -4.80 116.67 118.72 1v5l s ASP 51 Ca 0.00 2.13 -0.14 0.00 0.71 0.00 0.00 52.55 55.25 1v5l s ASP 51 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 1v5l s ASP 51 CO 0.00 -1.16 0.28 -0.69 0.21 0.00 0.00 175.17 173.81 1v5l s VAL 52 N -1.82 5.26 -0.19 -1.27 1.01 -1.26 -3.35 120.40 118.78 1v5l s VAL 52 Ca 0.72 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 1v5l s VAL 52 Cb -0.23 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1v5l s VAL 52 CO 0.26 -0.16 1.49 -0.63 0.00 0.00 0.00 175.10 176.07 1v5l s ILE 53 N 1.75 3.88 -0.22 2.22 -1.09 0.80 -3.12 121.20 125.41 1v5l s ILE 53 Ca 0.06 1.02 -0.18 0.00 -2.23 0.00 0.00 60.65 59.33 1v5l s ILE 53 Cb -0.18 -3.80 -0.18 0.00 -1.58 0.00 0.00 42.46 36.72 1v5l s ILE 53 CO 0.11 -0.25 0.08 0.18 -1.23 0.00 0.00 174.94 173.83 1v5l n LEU 54 N 7.66 1.99 -3.97 2.97 4.77 0.36 -4.63 117.00 126.16 1v5l n LEU 54 Ca 0.17 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1v5l n LEU 54 Cb 0.45 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1v5l n LEU 54 CO 0.62 0.42 -0.28 0.00 -1.33 0.00 0.00 177.39 176.83 1v5l s ALA 55 N -2.42 0.08 -0.06 -1.18 0.00 -1.25 -0.90 121.76 116.03 1v5l s ALA 55 Ca -0.31 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.05 1v5l s ALA 55 Cb 0.08 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.41 1v5l s ALA 55 CO 0.58 -0.28 -0.24 0.42 0.00 0.00 0.00 175.76 176.25 1v5l s ILE 56 N -2.46 1.95 0.00 0.00 1.01 0.78 -1.57 121.20 120.91 1v5l s ILE 56 Ca -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1v5l s ILE 56 Cb -0.02 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1v5l s ILE 56 CO -0.04 0.54 0.00 0.47 0.00 0.00 0.00 174.94 175.91 1v5l n ASP 57 N 3.02 -0.86 -0.15 3.58 8.00 -0.76 0.19 116.55 129.56 1v5l n ASP 57 Ca -0.18 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1v5l n ASP 57 Cb 0.52 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 -0.43 1.04 2.65 0.44 0.00 -1.24 -4.88 105.19 102.77 1v5l n GLY 58 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.29 -0.02 0.38 1.61 0.08 0.50 -5.13 117.98 113.10 1v5l s PHE 59 Ca 0.00 -0.32 -0.26 0.00 0.12 0.00 0.00 56.93 56.47 1v5l s PHE 59 Cb 0.00 -0.62 -0.11 0.00 -0.57 0.00 0.00 43.02 41.72 1v5l s PHE 59 CO 0.00 -0.71 1.23 0.41 -0.10 0.00 0.00 175.22 176.04 1v5l n GLY 60 N 5.29 0.41 2.04 4.36 0.00 -1.26 -0.16 105.19 115.87 1v5l n GLY 60 Ca -0.05 0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.92 0.10 2.61 -2.24 -0.08 -4.42 114.28 113.17 1v5l n THR 61 Ca 0.06 -1.97 -0.04 0.00 -2.27 0.00 0.00 64.05 59.83 1v5l n THR 61 Cb 0.38 -1.42 0.15 0.00 -2.10 0.00 0.00 70.33 67.33 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 1.88 0.16 0.00 -0.78 4.11 -1.89 -3.31 114.58 114.75 1v5l h GLU 62 Ca 0.31 -0.11 -0.09 0.00 0.07 0.00 0.00 59.36 59.55 1v5l h GLU 62 Cb 0.88 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 29.96 1v5l h GLU 62 CO 0.78 0.71 -0.72 0.45 0.07 0.00 0.00 179.01 180.30 1v5l n SER 63 N -3.86 0.97 -4.28 3.06 2.88 -1.26 -5.02 113.62 106.10 1v5l n SER 63 Ca -0.02 -2.41 -0.39 0.00 -1.33 0.00 0.00 58.87 54.72 1v5l n SER 63 Cb 0.61 -0.32 -0.11 0.00 -0.75 0.00 0.00 64.21 63.63 1v5l n SER 63 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1v5l s MET 64 N -0.78 2.61 0.87 -1.46 0.00 -1.25 -5.08 119.30 114.21 1v5l s MET 64 Ca 0.25 -1.33 -0.12 0.00 0.00 0.00 0.00 55.69 54.50 1v5l s MET 64 Cb 0.27 -3.65 0.11 0.00 0.00 0.00 0.00 34.83 31.57 1v5l s MET 64 CO -0.09 -0.83 1.10 0.95 0.00 0.00 0.00 175.02 176.15 1v5l s THR 65 N 1.42 2.71 0.17 10.11 -4.23 -1.26 -4.31 115.64 120.26 1v5l s THR 65 Ca 0.01 0.23 -0.26 0.00 -1.18 0.00 0.00 61.69 60.49 1v5l s THR 65 Cb -0.21 -2.81 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1v5l s THR 65 CO 0.03 -0.30 1.55 -0.74 -0.54 0.00 0.00 174.62 174.62 1v5l h HIS 66 N -1.43 -1.48 -0.61 3.99 2.76 -1.89 0.20 115.15 116.69 1v5l h HIS 66 Ca -0.49 0.10 0.12 0.00 -2.20 0.00 0.00 60.37 57.90 1v5l h HIS 66 Cb 1.28 0.75 -0.09 0.00 1.55 0.00 0.00 27.41 30.91 1v5l h HIS 66 CO 0.42 -0.41 0.13 0.00 -1.30 0.00 0.00 177.93 176.77 1v5l h ALA 67 N 0.67 0.73 -0.65 5.26 0.00 -1.92 -0.80 119.26 122.55 1v5l h ALA 67 Ca 0.20 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.33 1v5l h ALA 67 Cb 0.53 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1v5l h ALA 67 CO -0.82 -0.31 0.28 -0.44 0.00 0.00 0.00 179.25 177.97 1v5l h ASP 68 N 0.26 0.33 -0.51 0.00 3.32 -1.00 -1.69 116.42 117.13 1v5l h ASP 68 Ca 0.32 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1v5l h ASP 68 Cb 0.49 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1v5l h ASP 68 CO -0.41 0.19 0.33 0.00 -1.72 0.00 0.00 179.24 177.62 1v5l h ALA 69 N 1.42 0.65 -0.45 3.45 0.00 0.12 -1.00 119.26 123.45 1v5l h ALA 69 Ca 0.32 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1v5l h ALA 69 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1v5l h ALA 69 CO -0.29 0.11 0.30 1.96 0.00 0.00 0.00 179.25 181.34 1v5l h GLN 70 N 0.69 0.30 0.00 0.00 4.20 -0.55 0.31 115.11 120.06 1v5l h GLN 70 Ca 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1v5l h GLN 70 Cb -0.05 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1v5l h GLN 70 CO -0.04 0.20 -0.38 -0.25 -0.67 0.00 0.00 178.83 177.68 1v5l n ASP 71 N -4.47 0.49 -0.03 1.46 9.92 -0.79 -2.76 116.55 120.37 1v5l n ASP 71 Ca 0.06 0.10 -0.01 0.00 -0.53 0.00 0.00 54.79 54.41 1v5l n ASP 71 Cb 0.30 -0.04 -0.13 0.00 -0.64 0.00 0.00 41.12 40.61 1v5l n ASP 71 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1v5l n ARG 72 N -1.76 0.66 0.02 -1.24 5.12 0.52 -3.51 116.66 116.46 1v5l n ARG 72 Ca 0.05 0.05 -0.21 0.00 -1.93 0.00 0.00 57.85 55.80 1v5l n ARG 72 Cb 0.38 -1.64 -0.14 0.00 -1.16 0.00 0.00 32.46 29.90 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 1.13 -0.17 0.55 2.04 -0.62 -3.04 117.51 117.40 1v5l h ILE 73 Ca -0.27 -2.44 -0.11 0.00 1.00 0.00 0.00 64.86 63.04 1v5l h ILE 73 Cb 1.71 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 40.60 1v5l h ILE 73 CO 0.03 0.71 -0.37 0.07 0.00 0.00 0.00 178.15 178.60 1v5l h LYS 74 N -0.30 0.36 -0.64 2.37 2.10 -1.73 -2.55 116.57 116.19 1v5l h LYS 74 Ca -0.27 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1v5l h LYS 74 Cb 1.76 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 1v5l h LYS 74 CO 0.09 0.68 0.00 0.00 -2.00 0.00 0.00 179.45 178.22 1v5l n ALA 75 N -2.48 3.09 -0.28 0.07 0.00 -1.23 -4.93 120.51 114.74 1v5l n ALA 75 Ca -0.01 -1.21 -0.29 0.00 0.00 0.00 0.00 53.44 51.92 1v5l n ALA 75 Cb 0.46 -1.04 0.28 0.00 0.00 0.00 0.00 19.45 19.15 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 0.69 -4.58 -2.16 0.00 0.00 -0.96 -4.99 120.51 108.50 1v5l n ALA 76 Ca 0.19 -1.80 -0.22 0.00 0.00 0.00 0.00 53.44 51.62 1v5l n ALA 76 Cb 0.75 -1.58 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.89 4.96 0.60 0.00 0.01 -1.26 -4.91 113.70 110.21 1v5l s SER 77 Ca 0.65 -0.96 0.29 0.00 1.31 0.00 0.00 55.95 57.23 1v5l s SER 77 Cb -0.13 0.27 1.22 0.00 0.21 0.00 0.00 66.02 67.59 1v5l s SER 77 CO 0.56 -1.21 1.59 0.10 0.41 0.00 0.00 173.24 174.69 1v5l h TYR 78 N 0.43 0.00 -3.34 2.43 -0.00 -1.95 -3.36 116.97 111.18 1v5l h TYR 78 Ca -0.33 0.00 -0.49 0.00 -0.00 0.00 0.00 58.73 57.91 1v5l h TYR 78 Cb 1.29 0.00 -0.35 0.00 -0.00 0.00 0.00 36.73 37.67 1v5l h TYR 78 CO 0.62 0.00 -0.80 1.14 -0.00 0.00 0.00 178.16 179.12 1v5l s GLN 79 N -4.54 1.34 -0.23 0.10 1.03 -1.26 0.11 119.66 116.21 1v5l s GLN 79 Ca -0.03 -0.24 -0.10 0.00 0.04 0.00 0.00 55.36 55.02 1v5l s GLN 79 Cb 0.15 -1.29 -0.05 0.00 0.03 0.00 0.00 33.01 31.85 1v5l s GLN 79 CO 0.53 -0.12 0.15 -1.17 -2.54 0.00 0.00 175.29 172.13 1v5l s LEU 80 N 1.18 4.07 -0.74 2.60 2.96 -0.95 -4.95 118.68 122.84 1v5l s LEU 80 Ca -0.06 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1v5l s LEU 80 Cb -0.14 -2.09 0.19 0.00 0.50 0.00 0.00 46.19 44.65 1v5l s LEU 80 CO -0.02 0.07 0.59 0.00 -1.32 0.00 0.00 176.35 175.68 1v5l s LEU 82 N -0.57 4.14 0.20 0.00 1.43 -0.52 -1.84 118.68 121.52 1v5l s LEU 82 Ca 0.21 0.20 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1v5l s LEU 82 Cb -0.14 -2.47 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 1v5l s LEU 82 CO -0.07 -0.27 0.58 -0.75 0.23 0.00 0.00 176.35 176.07 1v5l s LYS 83 N 2.15 3.94 0.01 1.70 2.20 -0.61 -2.87 119.74 126.26 1v5l s LYS 83 Ca 0.16 0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 56.20 1v5l s LYS 83 Cb -0.16 -2.79 -0.01 0.00 -1.51 0.00 0.00 37.83 33.37 1v5l s LYS 83 CO 0.11 0.39 0.04 0.96 -0.36 0.00 0.00 175.35 176.48 1v5l s ILE 84 N -1.63 0.09 -0.40 5.43 -5.25 -0.85 -0.49 121.20 118.10 1v5l s ILE 84 Ca 0.43 -0.75 -0.02 0.00 -0.99 0.00 0.00 60.65 59.32 1v5l s ILE 84 Cb -0.13 -0.30 0.23 0.00 2.95 0.00 0.00 42.46 45.20 1v5l s ILE 84 CO 0.20 -0.41 2.12 -0.67 -1.79 0.00 0.00 174.94 174.39 1v5l n ASP 85 N 1.69 6.68 -4.27 4.36 -0.08 -1.18 -1.61 116.55 122.13 1v5l n ASP 85 Ca -0.22 -3.20 -0.37 0.00 -1.51 0.00 0.00 54.79 49.48 1v5l n ASP 85 Cb 0.56 -1.07 -0.06 0.00 2.34 0.00 0.00 41.12 42.89 1v5l n ASP 85 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1v5l n ARG 86 N 0.21 -1.52 -1.69 -0.67 0.00 -1.26 -4.75 116.66 106.98 1v5l n ARG 86 Ca 0.38 0.19 -0.39 0.00 -0.00 0.00 0.00 57.85 58.03 1v5l n ARG 86 Cb 0.58 -4.81 -0.03 0.00 0.00 0.00 0.00 32.46 28.21 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1v5l s ALA 87 N -3.15 2.14 -0.26 5.13 0.00 -1.26 -4.77 121.76 119.59 1v5l s ALA 87 Ca 0.74 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 1v5l s ALA 87 Cb -0.42 -4.23 -0.16 0.00 0.00 0.00 0.00 23.12 18.30 1v5l s ALA 87 CO 0.91 -3.74 -0.24 -0.85 0.00 0.00 0.00 175.76 171.84 1v5l n GLU 88 N 8.91 0.64 0.00 0.00 0.28 -1.26 -4.29 120.64 124.92 1v5l n GLU 88 Ca 0.31 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 1v5l n GLU 88 Cb 0.51 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1v5l n GLU 88 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1v5l n THR 89 N -3.39 0.24 -1.49 3.84 -1.04 -1.26 -5.05 114.28 106.13 1v5l n THR 89 Ca -0.47 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 60.83 1v5l n THR 89 Cb 0.98 1.09 -0.12 0.00 -1.82 0.00 0.00 70.33 70.46 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 -0.12 0.31 0.02 -2.82 3.00 -1.26 -4.76 116.66 111.03 1v5l n ARG 90 Ca 0.00 0.02 -0.04 0.00 -0.01 0.00 0.00 57.85 57.81 1v5l n ARG 90 Cb 0.33 -2.01 0.17 0.00 0.00 0.00 0.00 32.46 30.96 1v5l n ARG 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1v5l h LEU 91 N 13.54 0.48 0.00 0.55 6.46 -1.98 -3.46 115.31 130.90 1v5l h LEU 91 Ca -0.11 -0.19 -0.29 0.00 -0.12 0.00 0.00 57.88 57.17 1v5l h LEU 91 Cb 1.31 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 41.04 1v5l h LEU 91 CO 1.29 0.78 -0.24 -2.67 -0.62 0.00 0.00 178.44 176.99 1v5l n TRP 92 N -4.07 0.18 -1.82 1.25 2.14 -1.26 -5.08 117.44 108.77 1v5l n TRP 92 Ca -0.01 -1.31 -0.43 0.00 2.07 0.00 0.00 57.50 57.82 1v5l n TRP 92 Cb 0.45 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.89 1v5l n TRP 92 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1v5l s SER 93 N -2.30 5.79 0.71 -0.67 1.04 -1.26 -4.98 113.70 112.03 1v5l s SER 93 Ca 0.08 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1v5l s SER 93 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1v5l s SER 93 CO 0.06 -1.73 0.00 -0.81 0.98 0.00 0.00 173.24 171.74 1v5l n PRO 94 N 8.44 -0.43 -4.79 4.02 -0.04 -1.26 -5.05 135.00 135.90 1v5l n PRO 94 Ca 0.25 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.38 1v5l n PRO 94 Cb 0.45 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.76 1v5l n PRO 94 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1v5l s GLN 95 N -2.12 3.22 -0.22 0.54 1.11 -1.26 -5.06 119.66 115.87 1v5l s GLN 95 Ca 0.00 -0.77 -0.31 0.00 0.01 0.00 0.00 55.36 54.29 1v5l s GLN 95 Cb 0.00 -2.54 -0.14 0.00 -1.01 0.00 0.00 33.01 29.32 1v5l s GLN 95 CO 0.00 0.12 0.98 1.55 0.01 0.00 0.00 175.29 177.95 1v5l n VAL 96 N 3.75 0.00 0.11 1.09 3.14 -1.26 -4.83 118.33 120.34 1v5l n VAL 96 Ca -0.19 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.06 1v5l n VAL 96 Cb 0.52 -0.22 -0.08 0.00 -1.06 0.00 0.00 33.84 33.00 1v5l n VAL 96 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1v5l h SER 97 N 2.99 -0.18 -4.05 6.55 0.02 -1.93 -3.35 113.55 113.59 1v5l h SER 97 Ca -0.33 -0.05 -0.68 0.00 -0.84 0.00 0.00 61.79 59.90 1v5l h SER 97 Cb 0.97 0.05 -0.37 0.00 0.14 0.00 0.00 62.40 63.19 1v5l h SER 97 CO 0.60 -0.07 -0.40 -0.44 -1.14 0.00 0.00 176.83 175.38 1v5l s SER 98 N -5.06 5.11 -0.15 3.07 0.01 -1.26 -4.11 113.70 111.30 1v5l s SER 98 Ca -0.14 -3.08 -0.07 0.00 1.31 0.00 0.00 55.95 53.97 1v5l s SER 98 Cb 0.05 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 1v5l s SER 98 CO 0.65 -0.29 0.07 -0.83 0.41 0.00 0.00 173.24 173.24 1v5l s GLY 99 N 0.22 1.97 0.02 3.44 0.00 -1.26 -5.01 107.32 106.69 1v5l s GLY 99 Ca 0.19 -0.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.96 1v5l s GLY 99 CO -0.05 -0.14 1.32 -0.56 0.00 0.00 0.00 173.10 173.67 1v5l h PRO 100 N 6.05 0.24 -3.66 2.90 0.13 -1.97 -3.38 132.00 132.31 1v5l h PRO 100 Ca -0.44 -0.13 -0.75 0.00 -0.87 0.00 0.00 66.00 63.81 1v5l h PRO 100 Cb 1.18 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 1v5l h PRO 100 CO 0.66 0.66 -0.02 0.45 -0.23 0.00 0.00 178.00 179.52 1v5l s SER 101 N -5.99 6.29 -0.35 1.44 0.15 -1.26 -4.91 113.70 109.07 1v5l s SER 101 Ca -0.15 -2.98 -0.02 0.00 0.70 0.00 0.00 55.95 53.51 1v5l s SER 101 Cb 0.04 -2.07 0.18 0.00 -1.71 0.00 0.00 66.02 62.46 1v5l s SER 101 CO 0.73 -0.43 2.19 -1.54 1.20 0.00 0.00 173.24 175.39 1v5l n SER 102 N 3.48 6.48 0.00 5.45 3.41 -1.26 -5.22 113.62 125.96 1v5l n SER 102 Ca 0.14 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1v5l n SER 102 Cb 0.42 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1v5l n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49