#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 -5.11 -4.42 1.61 7.64 -1.26 -5.00 113.62 107.09 1v5l n SER 2 Ca 0.00 -0.61 -0.22 0.00 1.01 0.00 0.00 58.87 59.05 1v5l n SER 2 Cb 0.00 -4.80 -0.10 0.00 -1.01 0.00 0.00 64.21 58.29 1v5l n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v5l s SER 3 N -3.55 2.46 -0.24 6.43 1.04 -1.26 -5.09 113.70 113.50 1v5l s SER 3 Ca 0.47 -1.42 -0.28 0.00 0.48 0.00 0.00 55.95 55.20 1v5l s SER 3 Cb -0.21 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 1v5l s SER 3 CO 0.75 -0.65 1.95 -0.83 0.98 0.00 0.00 173.24 175.44 1v5l s GLY 4 N -3.51 0.81 0.05 7.32 0.00 -1.26 -4.93 107.32 105.80 1v5l s GLY 4 Ca 0.35 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.70 1v5l s GLY 4 CO 0.15 3.46 -0.13 -0.56 0.00 0.00 0.00 173.10 176.02 1v5l s SER 5 N 6.51 1.47 -0.28 1.64 0.01 -1.20 -3.46 113.70 118.40 1v5l s SER 5 Ca 0.87 -0.53 -0.32 0.00 1.31 0.00 0.00 55.95 57.28 1v5l s SER 5 Cb -0.29 -0.05 -0.14 0.00 0.21 0.00 0.00 66.02 65.75 1v5l s SER 5 CO 0.34 -0.06 1.06 -1.54 0.41 0.00 0.00 173.24 173.46 1v5l n SER 6 N 1.60 0.67 -4.24 2.44 3.41 -1.26 -3.96 113.62 112.28 1v5l n SER 6 Ca -0.20 0.84 -0.29 0.00 -0.26 0.00 0.00 58.87 58.97 1v5l n SER 6 Cb 0.55 -0.63 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 1v5l n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v5l n GLY 7 N 2.46 0.68 3.75 5.00 0.00 -1.25 -4.90 105.19 110.93 1v5l n GLY 7 Ca 0.20 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1v5l n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5l s ASN 8 N 7.02 6.72 -0.22 1.61 4.22 -1.26 -2.58 114.94 130.45 1v5l s ASN 8 Ca 0.71 2.64 -0.04 0.00 -2.14 0.00 0.00 52.86 54.04 1v5l s ASN 8 Cb 0.03 -2.63 0.07 0.00 1.28 0.00 0.00 41.25 40.00 1v5l s ASN 8 CO 0.19 -0.62 0.09 -0.69 -2.04 0.00 0.00 177.10 174.02 1v5l s VAL 9 N -0.39 0.20 -0.25 3.54 1.01 -1.01 -4.99 120.40 118.50 1v5l s VAL 9 Ca 0.55 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1v5l s VAL 9 Cb -0.40 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1v5l s VAL 9 CO 0.46 -0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 174.43 1v5l s VAL 10 N 1.99 3.31 -0.12 2.92 1.01 -1.26 -1.09 120.40 127.16 1v5l s VAL 10 Ca 0.04 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1v5l s VAL 10 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1v5l s VAL 10 CO -0.18 0.23 0.10 -0.76 0.00 0.00 0.00 175.10 174.49 1v5l s LEU 11 N 1.42 4.11 -0.16 3.92 1.43 -1.13 -4.97 118.68 123.29 1v5l s LEU 11 Ca 0.02 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1v5l s LEU 11 Cb -0.16 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1v5l s LEU 11 CO -0.02 0.36 1.57 -2.16 0.23 0.00 0.00 176.35 176.33 1v5l s PRO 12 N -0.74 3.97 0.00 1.29 0.04 -1.26 -2.73 135.00 135.58 1v5l s PRO 12 Ca 0.13 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1v5l s PRO 12 Cb -0.12 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1v5l s PRO 12 CO 0.03 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1v5l n GLY 13 N 4.35 3.74 0.64 0.56 0.00 0.57 -4.88 105.19 110.17 1v5l n GLY 13 Ca 0.18 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.41 -0.88 1.61 -0.04 -1.21 -4.83 135.00 128.25 1v5l n PRO 14 Ca 0.00 -0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 62.85 1v5l n PRO 14 Cb 0.00 -0.30 0.20 0.00 -0.04 0.00 0.00 33.50 33.36 1v5l n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v5l s ALA 15 N -2.98 0.60 1.25 0.55 0.00 -1.26 -4.73 121.76 115.19 1v5l s ALA 15 Ca 0.13 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 1v5l s ALA 15 Cb -0.01 -3.23 0.31 0.00 0.00 0.00 0.00 23.12 20.19 1v5l s ALA 15 CO 0.10 -3.11 1.11 -1.25 0.00 0.00 0.00 175.76 172.62 1v5l s PRO 16 N -4.72 -1.60 -0.05 0.00 0.04 -1.26 -5.16 135.00 122.25 1v5l s PRO 16 Ca 0.66 -0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.45 1v5l s PRO 16 Cb -0.21 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1v5l s PRO 16 CO 0.60 -3.94 -0.12 0.91 0.04 0.00 0.00 177.00 174.49 1v5l n TRP 17 N -4.89 0.00 0.00 0.56 7.02 -1.26 -4.92 117.44 113.95 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 0.60 -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 2.58 0.65 3.63 6.99 0.00 -1.26 -2.23 105.19 115.55 1v5l n GLY 18 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.08 2.86 0.51 1.61 -0.12 -1.26 -1.43 117.98 119.08 1v5l s PHE 19 Ca 0.00 -0.08 0.08 0.00 -0.05 0.00 0.00 56.93 56.88 1v5l s PHE 19 Cb 0.00 -1.50 0.04 0.00 -0.63 0.00 0.00 43.02 40.93 1v5l s PHE 19 CO 0.00 0.44 0.59 1.03 -0.05 0.00 0.00 175.22 177.23 1v5l s ARG 20 N -2.13 2.44 0.10 1.99 1.81 -0.69 -5.00 118.95 117.47 1v5l s ARG 20 Ca 0.23 -1.62 0.06 0.00 -1.72 0.00 0.00 55.73 52.68 1v5l s ARG 20 Cb -0.11 -2.51 -0.03 0.00 -0.45 0.00 0.00 34.95 31.85 1v5l s ARG 20 CO 0.15 -0.57 -0.16 -0.48 -0.68 0.00 0.00 175.30 173.56 1v5l s LEU 21 N -4.42 2.33 0.11 2.53 0.05 -1.26 -3.50 118.68 114.52 1v5l s LEU 21 Ca 0.52 -0.71 -0.06 0.00 0.05 0.00 0.00 54.13 53.94 1v5l s LEU 21 Cb -0.05 -0.65 -0.02 0.00 -2.05 0.00 0.00 46.19 43.41 1v5l s LEU 21 CO 0.32 -0.05 0.15 -0.55 -0.55 0.00 0.00 176.35 175.66 1v5l s SER 22 N -2.05 0.21 0.53 1.48 0.15 0.70 -4.36 113.70 110.36 1v5l s SER 22 Ca 0.05 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1v5l s SER 22 Cb -0.08 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1v5l s SER 22 CO 0.03 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1v5l n GLY 23 N -0.08 0.06 0.00 9.45 0.00 -1.26 -1.80 105.19 111.56 1v5l n GLY 23 Ca -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 4.49 0.16 -0.02 0.00 -0.00 -4.55 105.19 105.27 1v5l n GLY 24 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.41 0.72 0.05 -0.61 -5.35 -1.23 0.71 119.36 112.24 1v5l n ILE 25 Ca 0.00 0.74 0.01 0.00 -0.27 0.00 0.00 62.75 63.23 1v5l n ILE 25 Cb 0.00 -1.74 -0.06 0.00 -1.74 0.00 0.00 39.64 36.10 1v5l n ILE 25 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1v5l h ASP 26 N 0.00 0.00 -0.69 7.28 3.58 -1.88 -3.31 116.42 121.40 1v5l h ASP 26 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1v5l h ASP 26 Cb 0.45 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1v5l h ASP 26 CO 0.00 0.54 0.00 0.49 -2.88 0.00 0.00 179.24 177.39 1v5l n PHE 27 N -2.94 1.06 -3.59 0.28 3.01 0.22 -4.94 117.46 110.56 1v5l n PHE 27 Ca -0.07 -0.53 -0.23 0.00 1.01 0.00 0.00 57.45 57.63 1v5l n PHE 27 Cb 0.81 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 40.30 1v5l n PHE 27 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1v5l n ASN 28 N 1.45 -5.94 -3.87 4.37 3.02 -0.80 -4.87 115.26 108.63 1v5l n ASN 28 Ca 0.24 -0.55 -0.11 0.00 -0.03 0.00 0.00 54.58 54.13 1v5l n ASN 28 Cb 0.67 -5.04 -0.10 0.00 -0.61 0.00 0.00 39.78 34.71 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 -6.22 0.50 0.43 3.52 -0.21 -1.02 -4.98 119.66 111.68 1v5l s GLN 29 Ca 0.53 -0.40 -0.24 0.00 0.02 0.00 0.00 55.36 55.26 1v5l s GLN 29 Cb -0.23 0.21 -0.08 0.00 1.00 0.00 0.00 33.01 33.91 1v5l s GLN 29 CO 0.73 -0.12 1.18 -1.25 -2.12 0.00 0.00 175.29 173.71 1v5l s PRO 30 N -1.44 3.90 -0.64 2.91 0.04 -1.26 -0.82 135.00 137.68 1v5l s PRO 30 Ca -0.14 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 1v5l s PRO 30 Cb -0.07 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1v5l s PRO 30 CO 0.02 -0.45 1.56 -0.51 0.04 0.00 0.00 177.00 177.66 1v5l s LEU 31 N -2.75 3.27 0.16 -3.56 1.43 -1.26 -4.12 118.68 111.85 1v5l s LEU 31 Ca 0.60 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.86 1v5l s LEU 31 Cb -0.30 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1v5l s LEU 31 CO 0.37 -2.04 -0.21 -0.69 0.23 0.00 0.00 176.35 174.02 1v5l s VAL 32 N 7.22 1.96 0.25 -1.59 1.01 -0.75 0.80 120.40 129.30 1v5l s VAL 32 Ca 0.53 -1.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 1v5l s VAL 32 Cb -0.11 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 1v5l s VAL 32 CO 0.20 -0.19 1.17 -0.63 0.00 0.00 0.00 175.10 175.65 1v5l s ILE 33 N -1.72 3.40 -0.06 2.22 1.01 -1.20 0.25 121.20 125.10 1v5l s ILE 33 Ca 0.15 1.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.99 1v5l s ILE 33 Cb -0.07 -3.83 -0.30 0.00 0.01 0.00 0.00 42.46 38.26 1v5l s ILE 33 CO 0.07 0.27 0.63 0.71 0.00 0.00 0.00 174.94 176.61 1v5l h THR 34 N 3.37 0.92 -3.25 2.92 1.35 -1.76 -3.21 112.91 113.25 1v5l h THR 34 Ca -0.46 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 1v5l h THR 34 Cb 1.21 2.74 -0.09 0.00 -1.73 0.00 0.00 68.15 70.29 1v5l h THR 34 CO 0.70 0.85 0.08 -0.13 -0.25 0.00 0.00 175.52 176.76 1v5l s ARG 35 N -2.56 1.52 0.03 4.72 0.52 -1.26 -4.86 118.95 117.05 1v5l s ARG 35 Ca -0.17 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1v5l s ARG 35 Cb 0.05 0.54 -0.02 0.00 0.52 0.00 0.00 34.95 36.05 1v5l s ARG 35 CO 0.84 -0.66 -0.07 0.42 0.02 0.00 0.00 175.30 175.85 1v5l s ILE 36 N -3.90 0.48 -0.23 1.52 -1.09 -1.26 -1.70 121.20 115.02 1v5l s ILE 36 Ca 0.11 -0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 57.47 1v5l s ILE 36 Cb -0.02 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.35 1v5l s ILE 36 CO 0.01 -0.23 0.94 -0.89 -1.23 0.00 0.00 174.94 173.55 1v5l s THR 37 N -0.98 4.75 -0.93 2.92 2.01 -0.51 -4.97 115.64 117.94 1v5l s THR 37 Ca -0.06 1.82 -0.24 0.00 0.31 0.00 0.00 61.69 63.51 1v5l s THR 37 Cb -0.07 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1v5l s THR 37 CO 0.00 -0.13 1.94 -2.16 -0.69 0.00 0.00 174.62 173.59 1v5l s PRO 38 N 3.00 2.55 0.00 4.92 0.04 -1.26 -3.29 135.00 140.96 1v5l s PRO 38 Ca 0.40 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.06 1v5l s PRO 38 Cb -0.15 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1v5l s PRO 38 CO 0.07 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 174.09 1v5l n GLY 39 N 6.75 0.69 1.95 0.56 0.00 -1.26 -5.08 105.19 108.80 1v5l n GLY 39 Ca 0.41 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.72 0.24 1.61 3.41 -1.21 -4.93 113.62 112.02 1v5l n SER 40 Ca 0.00 -2.14 0.18 0.00 -0.26 0.00 0.00 58.87 56.65 1v5l n SER 40 Cb 0.00 1.39 0.88 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 -1.89 0.34 116.57 121.13 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 0.69 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 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 -2.25 0.00 -0.29 3.86 0.00 -0.95 -3.21 120.51 117.67 1v5l n ALA 42 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1v5l n ALA 42 Cb 0.30 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.95 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 1.21 0.00 0.00 0.00 -1.59 0.36 119.26 117.25 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 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1v5l h ALA 43 CO 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 179.25 179.17 1v5l h ALA 44 N 1.53 1.02 -0.77 0.00 0.00 -0.52 -1.50 119.26 119.02 1v5l h ALA 44 Ca 0.44 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.96 1v5l h ALA 44 Cb 0.59 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.15 1v5l h ALA 44 CO -0.34 0.00 0.49 0.00 0.00 0.00 0.00 179.25 179.40 1v5l n ALA 45 N -2.09 4.88 -3.65 0.00 0.00 0.12 -4.87 120.51 114.91 1v5l n ALA 45 Ca -0.02 -2.26 -0.24 0.00 0.00 0.00 0.00 53.44 50.92 1v5l n ALA 45 Cb 0.13 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.30 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 -0.72 -4.64 -4.84 0.00 3.02 -0.57 -4.98 115.26 102.54 1v5l n ASN 46 Ca 0.46 -0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 54.08 1v5l n ASN 46 Cb 1.41 -4.70 -0.05 0.00 -0.61 0.00 0.00 39.78 35.83 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 -7.05 4.03 -0.08 3.41 1.43 -1.08 -5.03 118.68 114.31 1v5l s LEU 47 Ca 0.43 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.39 1v5l s LEU 47 Cb -0.20 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1v5l s LEU 47 CO 0.76 0.15 0.50 0.00 0.23 0.00 0.00 176.35 177.99 1v5l s PRO 49 N -0.83 2.60 0.00 0.00 0.04 -1.26 -3.24 135.00 132.31 1v5l s PRO 49 Ca -0.09 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1v5l s PRO 49 Cb -0.03 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1v5l s PRO 49 CO 0.05 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1v5l n GLY 50 N 6.04 0.02 3.77 0.56 0.00 -1.21 -4.92 105.19 109.45 1v5l n GLY 50 Ca 0.26 0.00 -0.40 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 6.20 -0.55 1.61 1.11 -1.20 -4.78 116.67 119.06 1v5l s ASP 51 Ca 0.00 2.79 -0.19 0.00 0.18 0.00 0.00 52.55 55.34 1v5l s ASP 51 Cb 0.00 -2.65 0.09 0.00 1.07 0.00 0.00 42.92 41.43 1v5l s ASP 51 CO 0.00 -0.94 0.65 -0.69 1.18 0.00 0.00 175.17 175.37 1v5l s VAL 52 N -1.22 4.89 -0.30 -1.27 1.01 -1.26 -3.26 120.40 118.99 1v5l s VAL 52 Ca 0.57 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1v5l s VAL 52 Cb -0.41 -4.40 -0.07 0.00 0.00 0.00 0.00 36.38 31.51 1v5l s VAL 52 CO 0.53 -0.97 2.26 -0.38 0.00 0.00 0.00 175.10 176.54 1v5l n ILE 53 N 5.53 0.24 -0.05 2.22 2.08 0.24 -2.66 119.36 126.95 1v5l n ILE 53 Ca -0.09 -0.49 -0.12 0.00 0.56 0.00 0.00 62.75 62.61 1v5l n ILE 53 Cb 0.43 -2.44 -0.11 0.00 -0.75 0.00 0.00 39.64 36.78 1v5l n ILE 53 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1v5l h LEU 54 N 15.44 -0.02 -8.27 1.39 3.38 -0.78 -3.41 115.31 123.04 1v5l h LEU 54 Ca -0.35 -0.78 -0.14 0.00 0.09 0.00 0.00 57.88 56.69 1v5l h LEU 54 Cb 1.26 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1v5l h LEU 54 CO 1.01 0.83 -0.58 0.00 0.09 0.00 0.00 178.44 179.79 1v5l s ALA 55 N -2.65 0.53 -0.08 1.53 0.00 -1.24 -1.72 121.76 118.13 1v5l s ALA 55 Ca -0.16 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.60 1v5l s ALA 55 Cb -0.02 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1v5l s ALA 55 CO 0.60 -0.48 -0.20 0.42 0.00 0.00 0.00 175.76 176.10 1v5l s ILE 56 N -3.98 1.74 -0.10 0.00 1.01 -0.17 -2.67 121.20 117.03 1v5l s ILE 56 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1v5l s ILE 56 Cb 0.07 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1v5l s ILE 56 CO -0.03 0.49 0.00 0.47 0.00 0.00 0.00 174.94 175.87 1v5l n ASP 57 N 3.56 -1.13 -0.24 3.58 8.00 0.31 0.13 116.55 130.76 1v5l n ASP 57 Ca -0.20 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1v5l n ASP 57 Cb 0.53 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.46 0.97 2.60 0.44 0.00 -1.25 -4.92 105.19 102.57 1v5l n GLY 58 Ca -0.01 -0.46 -0.26 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.49 0.20 0.11 1.61 0.08 0.35 -5.12 117.98 112.72 1v5l s PHE 59 Ca 0.00 -0.44 -0.35 0.00 0.12 0.00 0.00 56.93 56.26 1v5l s PHE 59 Cb 0.00 -0.73 -0.17 0.00 -0.57 0.00 0.00 43.02 41.55 1v5l s PHE 59 CO 0.00 -0.60 1.10 0.41 -0.10 0.00 0.00 175.22 176.02 1v5l n GLY 60 N 5.27 -0.17 1.34 4.36 0.00 -1.26 -1.00 105.19 113.73 1v5l n GLY 60 Ca -0.07 0.61 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 1.53 1.61 0.04 2.61 -2.24 -0.70 -3.96 114.28 113.17 1v5l n THR 61 Ca 0.17 -0.53 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1v5l n THR 61 Cb 0.19 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.45 1v5l n THR 61 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1v5l h GLU 62 N 0.29 0.00 -0.01 -0.78 4.81 -1.87 -3.34 114.58 113.67 1v5l h GLU 62 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1v5l h GLU 62 Cb 1.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1v5l h GLU 62 CO 0.30 0.69 0.00 0.45 -0.73 0.00 0.00 179.01 179.72 1v5l n SER 63 N -3.19 2.14 -4.31 1.04 2.88 -1.25 -4.96 113.62 105.98 1v5l n SER 63 Ca -0.06 -2.31 -0.40 0.00 -1.33 0.00 0.00 58.87 54.77 1v5l n SER 63 Cb 0.94 -0.13 -0.11 0.00 -0.75 0.00 0.00 64.21 64.15 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 -1.54 2.68 0.49 -1.46 -2.45 -1.26 -5.08 119.30 110.67 1v5l s MET 64 Ca 0.10 -1.27 -0.20 0.00 -1.25 0.00 0.00 55.69 53.08 1v5l s MET 64 Cb 0.08 -3.69 -0.08 0.00 1.25 0.00 0.00 34.83 32.39 1v5l s MET 64 CO 0.01 -0.80 1.01 0.95 1.05 0.00 0.00 175.02 177.24 1v5l s THR 65 N 1.46 4.01 0.18 10.11 -4.23 -1.26 -4.26 115.64 121.65 1v5l s THR 65 Ca 0.02 1.19 -0.18 0.00 -1.18 0.00 0.00 61.69 61.53 1v5l s THR 65 Cb -0.21 -3.50 0.14 0.00 1.34 0.00 0.00 72.50 70.27 1v5l s THR 65 CO 0.04 -0.34 1.31 1.57 -0.54 0.00 0.00 174.62 176.67 1v5l n HIS 66 N -1.08 -0.07 -0.33 3.99 -0.00 -1.26 0.20 115.22 116.67 1v5l n HIS 66 Ca 0.08 1.05 0.14 0.00 0.46 0.00 0.00 57.72 59.45 1v5l n HIS 66 Cb 0.53 -0.76 0.36 0.00 -0.12 0.00 0.00 29.99 30.01 1v5l n HIS 66 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1v5l h ALA 67 N 0.99 1.80 -0.10 1.57 0.00 -1.92 -1.12 119.26 120.47 1v5l h ALA 67 Ca 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1v5l h ALA 67 Cb 0.47 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1v5l h ALA 67 CO -0.83 -0.14 0.02 0.22 0.00 0.00 0.00 179.25 178.52 1v5l h ASP 68 N 0.70 0.15 -0.54 0.00 1.82 0.20 -2.62 116.42 116.13 1v5l h ASP 68 Ca 0.55 -0.24 0.16 0.00 -0.39 0.00 0.00 57.03 57.11 1v5l h ASP 68 Cb 0.95 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.89 1v5l h ASP 68 CO -0.32 0.35 0.46 0.00 -1.61 0.00 0.00 179.24 178.12 1v5l h ALA 69 N 0.80 2.37 0.00 -0.78 0.00 -0.07 0.42 119.26 122.00 1v5l h ALA 69 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1v5l h ALA 69 Cb 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1v5l h ALA 69 CO 0.00 -0.74 -0.38 1.96 0.00 0.00 0.00 179.25 180.09 1v5l h GLN 70 N 0.00 0.00 0.00 0.00 1.08 -1.07 -0.20 115.11 114.92 1v5l h GLN 70 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1v5l h GLN 70 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1v5l h GLN 70 CO -0.00 0.38 -0.83 -3.47 -0.95 0.00 0.00 178.83 173.96 1v5l n ASP 71 N -3.71 0.64 -0.05 1.46 2.03 0.14 -3.40 116.55 113.66 1v5l n ASP 71 Ca -0.01 -0.32 -0.14 0.00 0.52 0.00 0.00 54.79 54.84 1v5l n ASP 71 Cb 0.47 0.61 -0.14 0.00 -0.72 0.00 0.00 41.12 41.34 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 -1.76 0.68 0.01 -0.67 5.12 -0.62 -3.04 116.66 116.39 1v5l n ARG 72 Ca 0.03 0.19 -0.18 0.00 -1.93 0.00 0.00 57.85 55.96 1v5l n ARG 72 Cb 0.39 -1.66 -0.10 0.00 -1.16 0.00 0.00 32.46 29.93 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 0.02 1.33 -0.03 0.55 2.04 -1.20 -0.28 117.51 119.95 1v5l h ILE 73 Ca -0.44 -2.10 -0.20 0.00 1.00 0.00 0.00 64.86 63.12 1v5l h ILE 73 Cb 2.05 2.35 -0.00 0.00 -0.74 0.00 0.00 36.82 40.48 1v5l h ILE 73 CO 0.04 0.64 -0.84 0.07 0.00 0.00 0.00 178.15 178.05 1v5l h LYS 74 N 0.24 0.36 -0.28 2.37 2.10 -1.76 -3.07 116.57 116.53 1v5l h LYS 74 Ca -0.09 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1v5l h LYS 74 Cb 1.47 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1v5l h LYS 74 CO 0.16 1.02 0.00 0.00 -2.00 0.00 0.00 179.45 178.63 1v5l n ALA 75 N -2.51 2.48 -0.49 0.07 0.00 -1.17 -4.85 120.51 114.03 1v5l n ALA 75 Ca -0.05 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.59 1v5l n ALA 75 Cb 0.78 -1.01 0.18 0.00 0.00 0.00 0.00 19.45 19.39 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 0.71 -3.13 -2.06 0.00 0.00 -0.12 -4.98 120.51 110.94 1v5l n ALA 76 Ca 0.17 -0.91 -0.19 0.00 0.00 0.00 0.00 53.44 52.50 1v5l n ALA 76 Cb 0.41 -0.08 0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.37 5.20 0.55 0.00 0.01 -1.26 -4.93 113.70 110.89 1v5l s SER 77 Ca 0.40 -0.77 0.32 0.00 1.31 0.00 0.00 55.95 57.21 1v5l s SER 77 Cb -0.07 0.05 1.10 0.00 0.21 0.00 0.00 66.02 67.32 1v5l s SER 77 CO 0.33 -1.17 1.28 0.00 0.41 0.00 0.00 173.24 174.10 1v5l n TYR 78 N -2.10 0.00 -4.11 2.43 4.11 -1.26 -4.05 117.16 112.18 1v5l n TYR 78 Ca 0.12 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.86 1v5l n TYR 78 Cb 0.61 -0.31 -0.15 0.00 -0.00 0.00 0.00 39.34 39.49 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 -4.41 0.45 -0.38 -3.48 -2.07 -1.26 0.21 119.66 108.72 1v5l s GLN 79 Ca -0.03 -0.12 -0.09 0.00 -1.82 0.00 0.00 55.36 53.30 1v5l s GLN 79 Cb 0.17 -0.47 0.05 0.00 -1.09 0.00 0.00 33.01 31.67 1v5l s GLN 79 CO 0.57 0.03 0.20 -1.17 -1.32 0.00 0.00 175.29 173.60 1v5l s LEU 80 N 0.26 4.80 -0.40 2.60 2.96 -1.10 -4.95 118.68 122.84 1v5l s LEU 80 Ca -0.03 -1.26 -0.20 0.00 -0.22 0.00 0.00 54.13 52.42 1v5l s LEU 80 Cb -0.06 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.68 1v5l s LEU 80 CO -0.00 -0.44 0.63 0.00 -1.32 0.00 0.00 176.35 175.22 1v5l s LEU 82 N 2.75 1.93 0.09 0.00 1.43 -0.25 0.11 118.68 124.75 1v5l s LEU 82 Ca 0.23 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 1v5l s LEU 82 Cb -0.14 -1.26 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 1v5l s LEU 82 CO 0.17 0.08 0.52 -0.75 0.23 0.00 0.00 176.35 176.59 1v5l s LYS 83 N 0.72 4.02 0.03 1.70 2.20 -1.09 -2.41 119.74 124.91 1v5l s LYS 83 Ca -0.11 0.53 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 1v5l s LYS 83 Cb -0.16 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1v5l s LYS 83 CO 0.02 0.58 -0.14 0.96 -0.36 0.00 0.00 175.35 176.41 1v5l s ILE 84 N -1.27 3.11 -0.43 5.43 -4.36 -1.06 -0.07 121.20 122.54 1v5l s ILE 84 Ca 0.32 -1.06 -0.01 0.00 -0.26 0.00 0.00 60.65 59.63 1v5l s ILE 84 Cb -0.17 -2.34 0.27 0.00 1.25 0.00 0.00 42.46 41.47 1v5l s ILE 84 CO 0.18 0.34 2.08 -0.67 0.24 0.00 0.00 174.94 177.11 1v5l n ASP 85 N 1.48 6.82 -3.13 4.36 2.03 -1.09 -3.97 116.55 123.06 1v5l n ASP 85 Ca -0.16 -3.28 -0.19 0.00 0.52 0.00 0.00 54.79 51.68 1v5l n ASP 85 Cb 0.52 -1.05 -0.04 0.00 -0.72 0.00 0.00 41.12 39.83 1v5l n ASP 85 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1v5l n ARG 86 N 0.04 -0.90 -0.91 -0.67 -4.01 -1.26 -4.39 116.66 104.56 1v5l n ARG 86 Ca 0.41 0.06 -0.27 0.00 -1.04 0.00 0.00 57.85 57.01 1v5l n ARG 86 Cb 0.59 -2.12 -0.09 0.00 -3.04 0.00 0.00 32.46 27.80 1v5l n ARG 86 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1v5l n ALA 87 N -2.42 0.17 -0.34 2.89 0.00 -1.26 -4.70 120.51 114.85 1v5l n ALA 87 Ca -0.02 -0.14 0.19 0.00 0.00 0.00 0.00 53.44 53.48 1v5l n ALA 87 Cb 0.26 -1.39 0.43 0.00 0.00 0.00 0.00 19.45 18.75 1v5l n ALA 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1v5l h GLU 88 N 7.20 0.50 -0.71 0.00 4.11 -1.99 0.46 114.58 124.16 1v5l h GLU 88 Ca -0.03 -0.03 0.21 0.00 0.07 0.00 0.00 59.36 59.57 1v5l h GLU 88 Cb 0.81 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1v5l h GLU 88 CO 0.84 0.33 0.55 1.15 0.07 0.00 0.00 179.01 181.95 1v5l h THR 89 N 0.52 0.55 -0.05 -1.06 2.02 -1.97 -3.41 112.91 109.51 1v5l h THR 89 Ca 0.63 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 67.34 1v5l h THR 89 Cb 1.33 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 68.26 1v5l h THR 89 CO -0.42 0.00 1.79 0.54 0.37 0.00 0.00 175.52 177.79 1v5l n ARG 90 N -4.16 0.03 -0.23 6.66 5.12 0.16 -4.67 116.66 119.57 1v5l n ARG 90 Ca 0.14 -0.00 0.22 0.00 -1.93 0.00 0.00 57.85 56.28 1v5l n ARG 90 Cb 0.81 -1.50 0.40 0.00 -1.16 0.00 0.00 32.46 31.01 1v5l n ARG 90 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 1v5l n LEU 91 N 10.02 0.20 -3.66 0.55 -0.00 -1.26 -4.18 117.00 118.67 1v5l n LEU 91 Ca 0.65 1.02 -0.09 0.00 -0.00 0.00 0.00 56.01 57.59 1v5l n LEU 91 Cb 0.06 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 42.90 1v5l n LEU 91 CO 0.95 -1.14 0.27 0.86 -0.00 0.00 0.00 177.39 178.33 1v5l s TRP 92 N -4.90 -0.86 -0.30 1.47 -0.11 -1.26 -5.15 118.94 107.83 1v5l s TRP 92 Ca -0.06 1.82 -0.17 0.00 1.22 0.00 0.00 56.10 58.91 1v5l s TRP 92 Cb 0.21 0.45 0.18 0.00 -1.50 0.00 0.00 33.47 32.82 1v5l s TRP 92 CO 0.51 -0.44 1.15 0.45 -4.62 0.00 0.00 176.95 174.01 1v5l s SER 93 N 1.26 -0.30 -0.02 5.86 0.15 -1.26 -5.07 113.70 114.32 1v5l s SER 93 Ca -0.07 0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.73 1v5l s SER 93 Cb -0.06 1.34 -0.20 0.00 -1.71 0.00 0.00 66.02 65.40 1v5l s SER 93 CO -0.13 -0.06 1.23 1.55 1.20 0.00 0.00 173.24 177.03 1v5l h PRO 94 N 7.26 -0.06 -6.82 5.44 0.13 -2.01 -3.45 132.00 132.49 1v5l h PRO 94 Ca -0.14 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.43 1v5l h PRO 94 Cb 1.12 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.39 1v5l h PRO 94 CO 0.07 0.40 0.45 1.04 -0.23 0.00 0.00 178.00 179.73 1v5l n GLN 95 N -4.89 1.80 -3.65 0.86 6.02 -1.26 -5.01 117.38 111.25 1v5l n GLN 95 Ca -0.08 0.64 -0.06 0.00 -0.01 0.00 0.00 57.00 57.49 1v5l n GLN 95 Cb 0.25 -2.35 -0.07 0.00 1.02 0.00 0.00 30.24 29.10 1v5l n GLN 95 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1v5l s VAL 96 N -1.23 -0.20 -0.62 5.09 0.11 -1.26 -4.91 120.40 117.39 1v5l s VAL 96 Ca 0.63 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.50 1v5l s VAL 96 Cb -0.50 -0.97 0.11 0.00 -1.53 0.00 0.00 36.38 33.49 1v5l s VAL 96 CO 0.57 0.00 0.72 -0.55 -3.33 0.00 0.00 175.10 172.51 1v5l s SER 97 N 1.88 6.24 0.02 3.54 0.15 -1.25 -3.21 113.70 121.06 1v5l s SER 97 Ca -0.09 -1.55 -0.06 0.00 0.70 0.00 0.00 55.95 54.94 1v5l s SER 97 Cb -0.07 -2.30 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1v5l s SER 97 CO -0.19 -1.07 1.10 -1.28 1.20 0.00 0.00 173.24 172.99 1v5l h SER 98 N 9.08 -0.27 0.00 5.45 0.87 -1.82 -3.46 113.55 123.40 1v5l h SER 98 Ca -0.25 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1v5l h SER 98 Cb 1.08 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1v5l h SER 98 CO 1.08 -0.11 0.00 0.61 -0.53 0.00 0.00 176.83 177.88 1v5l n GLY 99 N -1.09 -0.88 0.10 5.77 0.00 -1.26 -5.02 105.19 102.81 1v5l n GLY 99 Ca -0.02 0.56 0.11 0.00 0.00 0.00 0.00 46.02 46.67 1v5l n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5l n PRO 100 N 0.00 0.15 -1.37 1.61 -0.04 -1.26 -4.81 135.00 129.28 1v5l n PRO 100 Ca 0.00 0.39 -0.46 0.00 -0.04 0.00 0.00 63.50 63.39 1v5l n PRO 100 Cb 0.00 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 31.53 1v5l n PRO 100 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v5l n SER 101 N -2.08 0.44 0.33 3.54 7.64 -1.26 -4.80 113.62 117.43 1v5l n SER 101 Ca 0.02 0.35 -0.14 0.00 1.01 0.00 0.00 58.87 60.11 1v5l n SER 101 Cb 0.21 -0.89 -0.07 0.00 -1.01 0.00 0.00 64.21 62.46 1v5l n SER 101 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1v5l h SER 102 N 10.62 -0.74 0.00 6.43 0.02 -2.07 -3.56 113.55 124.25 1v5l h SER 102 Ca -0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1v5l h SER 102 Cb 1.31 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1v5l h SER 102 CO 1.25 -0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.19