#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus s SER 2 N 0.00 6.89 0.00 1.61 1.04 -1.26 -4.91 113.70 117.08 2yus s SER 2 Ca 0.00 2.56 0.00 0.00 0.48 0.00 0.00 55.95 58.99 2yus s SER 2 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2yus s SER 2 CO 0.00 -0.45 0.00 -1.20 0.98 0.00 0.00 173.24 172.57 2yus n SER 3 N 1.16 0.64 0.00 7.02 7.64 -1.26 -5.07 113.62 123.76 2yus n SER 3 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2yus n SER 3 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2yus n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yus n GLY 4 N 2.10 0.24 3.34 0.23 0.00 -1.26 -5.16 105.19 104.67 2yus n GLY 4 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2yus n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yus s SER 5 N -0.34 3.21 -0.19 1.61 0.15 -1.26 -5.11 113.70 111.77 2yus s SER 5 Ca 0.00 -0.44 -0.04 0.00 0.70 0.00 0.00 55.95 56.17 2yus s SER 5 Cb 0.00 -0.41 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 2yus s SER 5 CO 0.00 0.32 0.26 -0.55 1.20 0.00 0.00 173.24 174.47 2yus s SER 6 N -0.71 0.92 0.00 5.45 0.15 -1.26 -5.01 113.70 113.25 2yus s SER 6 Ca 0.10 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2yus s SER 6 Cb -0.10 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2yus s SER 6 CO -0.00 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2yus n GLY 7 N 5.34 -0.60 2.87 9.45 0.00 -1.26 -5.13 105.19 115.85 2yus n GLY 7 Ca -0.05 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2yus n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yus s THR 8 N 0.00 1.45 -0.50 2.61 2.01 -1.26 -5.05 115.64 114.90 2yus s THR 8 Ca 0.00 -1.64 0.03 0.00 0.31 0.00 0.00 61.69 60.39 2yus s THR 8 Cb 0.00 -2.00 0.15 0.00 0.01 0.00 0.00 72.50 70.66 2yus s THR 8 CO 0.00 -0.51 0.31 -0.76 -0.69 0.00 0.00 174.62 172.97 2yus s LEU 9 N 1.35 3.16 -0.80 4.42 1.43 -1.26 -5.03 118.68 121.96 2yus s LEU 9 Ca 0.07 -3.00 0.01 0.00 -1.03 0.00 0.00 54.13 50.17 2yus s LEU 9 Cb -0.18 -1.15 0.19 0.00 0.03 0.00 0.00 46.19 45.08 2yus s LEU 9 CO -0.15 -0.21 0.64 0.00 0.23 0.00 0.00 176.35 176.86 2yus s ALA 10 N -0.16 4.02 0.21 4.21 0.00 -1.26 -4.95 121.76 123.83 2yus s ALA 10 Ca 0.21 -3.77 -0.18 0.00 0.00 0.00 0.00 51.96 48.23 2yus s ALA 10 Cb -0.16 -2.58 0.20 0.00 0.00 0.00 0.00 23.12 20.58 2yus s ALA 10 CO -0.06 -2.12 1.59 0.87 0.00 0.00 0.00 175.76 176.03 2yus h LYS 11 N 5.92 -0.09 -5.94 0.00 1.57 -2.03 -3.46 116.57 112.55 2yus h LYS 11 Ca 0.13 0.01 -0.41 0.00 -1.87 0.00 0.00 60.65 58.51 2yus h LYS 11 Cb 0.81 0.02 0.10 0.00 0.08 0.00 0.00 32.23 33.24 2yus h LYS 11 CO 0.79 -0.06 -0.73 0.45 -0.57 0.00 0.00 179.45 179.34 2yus n SER 12 N -5.46 -4.83 -4.23 0.86 2.88 -1.26 -1.88 113.62 99.70 2yus n SER 12 Ca 0.07 -0.63 -0.36 0.00 -1.33 0.00 0.00 58.87 56.62 2yus n SER 12 Cb 0.37 -4.72 -0.03 0.00 -0.75 0.00 0.00 64.21 59.08 2yus n SER 12 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2yus n LYS 13 N -4.72 -2.97 -0.11 -1.46 4.81 -1.26 -4.84 118.16 107.60 2yus n LYS 13 Ca -0.06 0.35 -0.24 0.00 -0.87 0.00 0.00 58.31 57.49 2yus n LYS 13 Cb 0.58 -4.99 -0.08 0.00 0.02 0.00 0.00 35.03 30.56 2yus n LYS 13 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yus n GLY 14 N -1.45 -0.37 0.30 3.14 0.00 -0.79 -4.61 105.19 101.41 2yus n GLY 14 Ca 0.04 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus h ALA 15 N -0.81 0.54 -1.17 4.61 0.00 -1.89 -3.40 119.26 117.15 2yus h ALA 15 Ca -0.56 0.31 -0.75 0.00 0.00 0.00 0.00 54.91 53.92 2yus h ALA 15 Cb 1.48 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 2yus h ALA 15 CO -0.34 -0.41 1.04 -1.13 0.00 0.00 0.00 179.25 178.42 2yus n SER 16 N -5.52 1.96 -0.03 0.00 3.41 -1.26 -4.84 113.62 107.34 2yus n SER 16 Ca 0.12 0.90 -0.22 0.00 -0.26 0.00 0.00 58.87 59.41 2yus n SER 16 Cb 0.41 -1.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.13 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yus n ALA 17 N 6.40 0.84 -3.71 7.33 0.00 -1.26 -5.01 120.51 125.10 2yus n ALA 17 Ca 0.34 -0.55 -0.24 0.00 0.00 0.00 0.00 53.44 52.99 2yus n ALA 17 Cb 0.10 -0.65 0.03 0.00 0.00 0.00 0.00 19.45 18.92 2yus n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yus n GLY 18 N 1.82 -0.54 3.56 0.00 0.00 -1.26 -4.85 105.19 103.93 2yus n GLY 18 Ca -0.32 0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2yus n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yus s ARG 19 N -5.97 3.43 -0.28 1.61 3.52 -1.26 -4.87 118.95 115.12 2yus s ARG 19 Ca 0.17 -1.04 -0.21 0.00 -0.13 0.00 0.00 55.73 54.51 2yus s ARG 19 Cb -0.05 -5.32 0.13 0.00 -1.56 0.00 0.00 34.95 28.14 2yus s ARG 19 CO 0.84 -2.44 0.98 -1.83 -0.81 0.00 0.00 175.30 172.04 2yus s GLU 20 N 5.29 0.49 -0.05 5.12 4.04 -1.26 -5.16 118.70 127.18 2yus s GLU 20 Ca 0.51 0.68 -0.16 0.00 0.04 0.00 0.00 54.97 56.04 2yus s GLU 20 Cb -0.01 0.19 -0.05 0.00 0.02 0.00 0.00 34.13 34.28 2yus s GLU 20 CO -0.07 -0.07 0.41 -1.58 -1.84 0.00 0.00 175.26 172.11 2yus s TRP 21 N 0.70 3.65 0.20 4.83 0.52 -1.26 -5.08 118.94 122.50 2yus s TRP 21 Ca -0.02 0.93 -0.14 0.00 0.02 0.00 0.00 56.10 56.89 2yus s TRP 21 Cb -0.05 -2.36 -0.07 0.00 -1.15 0.00 0.00 33.47 29.84 2yus s TRP 21 CO -0.10 0.48 0.60 0.95 0.02 0.00 0.00 176.95 178.90 2yus s THR 22 N -0.49 4.82 0.26 2.01 -4.23 -1.26 -4.88 115.64 111.86 2yus s THR 22 Ca 0.24 0.80 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 2yus s THR 22 Cb -0.16 -3.70 0.32 0.00 1.34 0.00 0.00 72.50 70.30 2yus s THR 22 CO 0.12 0.09 1.25 -1.84 -0.54 0.00 0.00 174.62 173.70 2yus n GLU 23 N 0.37 -0.06 0.38 3.99 0.28 -1.26 -0.22 120.64 124.12 2yus n GLU 23 Ca -0.02 1.17 -0.15 0.00 -0.16 0.00 0.00 57.16 58.00 2yus n GLU 23 Cb 0.52 -1.92 -0.07 0.00 1.43 0.00 0.00 31.44 31.40 2yus n GLU 23 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2yus h GLN 24 N 0.00 -0.93 -0.89 3.44 4.15 -2.01 -3.10 115.11 115.76 2yus h GLN 24 Ca 0.54 0.06 0.21 0.00 0.77 0.00 0.00 58.65 60.23 2yus h GLN 24 Cb 1.21 0.21 -0.16 0.00 0.21 0.00 0.00 27.48 28.95 2yus h GLN 24 CO -0.71 -0.62 -0.06 0.93 -1.93 0.00 0.00 178.83 176.43 2yus h GLU 25 N -1.06 0.04 -0.56 1.69 4.39 -0.97 0.42 114.58 118.53 2yus h GLU 25 Ca -0.10 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.69 2yus h GLU 25 Cb 0.74 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.28 2yus h GLU 25 CO 0.16 0.02 -0.40 1.15 -1.16 0.00 0.00 179.01 178.79 2yus h THR 26 N 0.04 0.12 -0.09 1.13 2.02 -1.17 -1.31 112.91 113.65 2yus h THR 26 Ca 0.49 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.71 2yus h THR 26 Cb 0.89 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 2yus h THR 26 CO -0.85 0.00 -0.32 -0.07 0.37 0.00 0.00 175.52 174.65 2yus h LEU 27 N -0.22 -0.99 -0.78 2.58 3.38 -0.86 -2.02 115.31 116.40 2yus h LEU 27 Ca 0.19 0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.45 2yus h LEU 27 Cb 0.56 0.41 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 2yus h LEU 27 CO -0.67 -0.37 -0.22 -0.07 0.09 0.00 0.00 178.44 177.20 2yus h LEU 28 N -0.42 -0.82 -0.16 1.67 4.07 -1.01 0.13 115.31 118.77 2yus h LEU 28 Ca 0.08 0.24 0.05 0.00 0.08 0.00 0.00 57.88 58.33 2yus h LEU 28 Cb 0.55 0.51 -0.07 0.00 1.08 0.00 0.00 40.66 42.74 2yus h LEU 28 CO -0.32 -0.27 -0.34 0.25 -1.08 0.00 0.00 178.44 176.68 2yus h LEU 29 N -0.02 -1.07 -0.76 1.67 5.85 -0.62 -1.14 115.31 119.23 2yus h LEU 29 Ca 0.36 0.16 0.04 0.00 0.84 0.00 0.00 57.88 59.28 2yus h LEU 29 Cb 0.58 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 2yus h LEU 29 CO -0.81 -0.37 0.48 -0.07 -0.34 0.00 0.00 178.44 177.33 2yus h LEU 30 N -0.40 0.77 0.06 2.25 3.38 -0.73 -0.23 115.31 120.42 2yus h LEU 30 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2yus h LEU 30 Cb 0.56 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2yus h LEU 30 CO -0.38 0.52 -0.39 -0.33 0.09 0.00 0.00 178.44 177.95 2yus h GLU 31 N 0.91 -0.56 -0.52 1.13 4.39 0.20 -1.93 114.58 118.21 2yus h GLU 31 Ca 0.31 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 2yus h GLU 31 Cb 0.06 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2yus h GLU 31 CO -0.13 -0.37 0.15 0.00 -1.16 0.00 0.00 179.01 177.49 2yus h ALA 32 N -0.02 1.29 0.00 3.43 0.00 -1.01 -1.98 119.26 120.98 2yus h ALA 32 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2yus h ALA 32 Cb 0.64 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2yus h ALA 32 CO -0.26 0.50 0.28 -0.07 0.00 0.00 0.00 179.25 179.70 2yus h LEU 33 N 0.75 0.00 0.15 0.00 3.38 -0.23 1.05 115.31 120.42 2yus h LEU 33 Ca 0.17 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.79 2yus h LEU 33 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2yus h LEU 33 CO -0.01 0.00 -1.82 -0.33 0.09 0.00 0.00 178.44 176.38 2yus h GLU 34 N 0.00 0.33 0.00 1.13 4.39 -1.16 -3.08 114.58 116.19 2yus h GLU 34 Ca 0.00 -0.56 -0.11 0.00 0.34 0.00 0.00 59.36 59.03 2yus h GLU 34 Cb 0.56 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2yus h GLU 34 CO 0.00 1.24 -0.97 -1.33 -1.16 0.00 0.00 179.01 176.79 2yus n MET 35 N -3.52 0.51 -0.97 2.33 2.81 0.58 -4.38 117.12 114.47 2yus n MET 35 Ca -0.26 0.48 -0.20 0.00 -1.81 0.00 0.00 57.70 55.91 2yus n MET 35 Cb 1.06 -1.66 0.11 0.00 -0.71 0.00 0.00 33.22 32.03 2yus n MET 35 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2yus n TYR 36 N -4.51 2.33 -0.27 2.03 4.01 0.33 -4.72 117.16 116.37 2yus n TYR 36 Ca -0.20 -1.79 -0.07 0.00 -0.16 0.00 0.00 57.90 55.69 2yus n TYR 36 Cb 0.47 -0.89 -0.06 0.00 -0.31 0.00 0.00 39.34 38.55 2yus n TYR 36 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2yus n LYS 37 N -0.62 -0.28 -0.06 -0.72 4.81 -1.16 -2.16 118.16 117.98 2yus n LYS 37 Ca 0.45 1.13 -0.12 0.00 -0.87 0.00 0.00 58.31 58.91 2yus n LYS 37 Cb 1.17 -1.67 -0.11 0.00 0.02 0.00 0.00 35.03 34.45 2yus n LYS 37 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2yus h ASP 38 N 0.00 -0.01 -0.07 3.14 3.04 -1.86 -3.41 116.42 117.26 2yus h ASP 38 Ca 0.10 -0.79 -0.06 0.00 -3.24 0.00 0.00 57.03 53.05 2yus h ASP 38 Cb 0.26 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.57 2yus h ASP 38 CO -0.60 0.87 0.18 0.47 -2.04 0.00 0.00 179.24 178.12 2yus n ASP 39 N -4.66 1.11 -0.13 4.15 8.00 -0.92 -4.66 116.55 119.45 2yus n ASP 39 Ca -0.08 -2.43 -0.12 0.00 0.71 0.00 0.00 54.79 52.87 2yus n ASP 39 Cb 0.38 -1.56 -0.02 0.00 -0.02 0.00 0.00 41.12 39.90 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2yus h TRP 40 N 11.38 0.92 -0.95 1.24 4.06 -1.79 -3.11 115.95 127.71 2yus h TRP 40 Ca 0.02 -0.23 0.18 0.00 2.06 0.00 0.00 58.89 60.93 2yus h TRP 40 Cb 0.97 -0.21 -0.18 0.00 -1.00 0.00 0.00 29.16 28.74 2yus h TRP 40 CO 1.03 0.97 -0.25 -1.71 -3.56 0.00 0.00 178.44 174.92 2yus n ASN 41 N -4.27 -0.38 -0.08 -3.49 2.85 -1.26 0.35 115.26 108.98 2yus n ASN 41 Ca -0.02 1.63 -0.12 0.00 -0.11 0.00 0.00 54.58 55.96 2yus n ASN 41 Cb 0.41 -0.48 -0.05 0.00 1.24 0.00 0.00 39.78 40.91 2yus n ASN 41 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2yus h LYS 42 N 0.00 0.44 -0.99 1.20 1.57 -1.93 -3.20 116.57 113.65 2yus h LYS 42 Ca 0.44 -0.18 0.19 0.00 -1.87 0.00 0.00 60.65 59.22 2yus h LYS 42 Cb 0.67 -0.02 -0.18 0.00 0.08 0.00 0.00 32.23 32.78 2yus h LYS 42 CO -0.97 0.70 -0.29 0.28 -0.57 0.00 0.00 179.45 178.60 2yus n VAL 43 N -4.57 -0.45 -0.33 0.50 0.31 0.15 0.19 118.33 114.14 2yus n VAL 43 Ca -0.04 2.29 0.06 0.00 -0.01 0.00 0.00 64.34 66.64 2yus n VAL 43 Cb 0.30 -3.13 0.16 0.00 -0.91 0.00 0.00 33.84 30.26 2yus n VAL 43 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2yus h SER 44 N 0.00 -0.76 0.45 4.52 4.64 -1.42 -0.21 113.55 120.78 2yus h SER 44 Ca 0.44 0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 62.01 2yus h SER 44 Cb 0.69 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2yus h SER 44 CO -1.01 -0.31 -0.22 -0.33 -0.87 0.00 0.00 176.83 174.10 2yus h GLU 45 N 0.01 -0.58 -0.77 4.77 4.39 -0.42 -2.49 114.58 119.49 2yus h GLU 45 Ca 0.47 0.04 0.13 0.00 0.34 0.00 0.00 59.36 60.34 2yus h GLU 45 Cb 0.77 0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 29.42 2yus h GLU 45 CO -0.93 -0.29 -0.26 1.58 -1.16 0.00 0.00 179.01 177.95 2yus n HIS 46 N -5.27 0.13 0.34 4.33 -0.00 -0.14 -0.46 115.22 114.15 2yus n HIS 46 Ca -0.11 0.95 -0.16 0.00 0.46 0.00 0.00 57.72 58.86 2yus n HIS 46 Cb 0.29 -0.85 -0.08 0.00 -0.12 0.00 0.00 29.99 29.23 2yus n HIS 46 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2yus h VAL 47 N 0.00 0.21 0.00 3.57 2.07 -1.39 -3.49 116.25 117.22 2yus h VAL 47 Ca 0.31 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2yus h VAL 47 Cb 0.50 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2yus h VAL 47 CO -0.78 0.02 0.00 0.61 0.02 0.00 0.00 177.57 177.44 2yus n GLY 48 N -0.87 0.37 2.19 2.17 0.00 0.39 -4.91 105.19 104.53 2yus n GLY 48 Ca -0.12 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2yus n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 49 N 0.00 4.75 -4.08 1.61 2.88 -1.26 -4.67 113.62 112.85 2yus n SER 49 Ca 0.00 -3.69 -0.32 0.00 -1.33 0.00 0.00 58.87 53.53 2yus n SER 49 Cb 0.00 -0.38 -0.16 0.00 -0.75 0.00 0.00 64.21 62.91 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2yus s ARG 50 N -3.58 2.68 0.50 -1.46 1.81 -1.26 -5.12 118.95 112.53 2yus s ARG 50 Ca 0.49 -0.72 -0.21 0.00 -1.72 0.00 0.00 55.73 53.57 2yus s ARG 50 Cb 0.41 -2.38 -0.07 0.00 -0.45 0.00 0.00 34.95 32.46 2yus s ARG 50 CO -0.04 -0.23 1.11 -0.08 -0.68 0.00 0.00 175.30 175.38 2yus s THR 51 N 1.37 3.35 0.13 0.02 -1.32 -1.26 -4.17 115.64 113.76 2yus s THR 51 Ca 0.05 0.88 -0.23 0.00 -1.21 0.00 0.00 61.69 61.18 2yus s THR 51 Cb -0.13 -3.38 -0.03 0.00 -1.51 0.00 0.00 72.50 67.45 2yus s THR 51 CO -0.12 -0.14 1.21 0.00 -2.21 0.00 0.00 174.62 173.35 2yus n GLN 52 N -0.99 -0.33 -0.28 7.08 6.02 -1.26 -0.01 117.38 127.61 2yus n GLN 52 Ca 0.10 1.18 -0.09 0.00 -0.01 0.00 0.00 57.00 58.18 2yus n GLN 52 Cb 0.51 -1.74 -0.05 0.00 1.02 0.00 0.00 30.24 29.98 2yus n GLN 52 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2yus h ASP 53 N 0.00 -1.71 0.20 1.08 5.19 -1.96 -1.01 116.42 118.21 2yus h ASP 53 Ca 0.14 0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 2yus h ASP 53 Cb 0.33 0.77 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 2yus h ASP 53 CO -0.74 -0.31 -0.44 -0.33 -3.12 0.00 0.00 179.24 174.30 2yus h GLU 54 N -0.16 -0.67 -1.00 3.56 5.08 -0.78 -1.36 114.58 119.24 2yus h GLU 54 Ca 0.18 0.05 0.38 0.00 -1.00 0.00 0.00 59.36 58.97 2yus h GLU 54 Cb 0.54 0.15 -0.17 0.00 0.50 0.00 0.00 28.75 29.77 2yus h GLU 54 CO -0.78 -0.45 0.47 0.00 -1.00 0.00 0.00 179.01 177.25 2yus h ILE 56 N 0.06 0.85 0.25 0.00 2.04 -0.20 -3.08 117.51 117.43 2yus h ILE 56 Ca 0.79 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2yus h ILE 56 Cb 2.00 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 39.20 2yus h ILE 56 CO -0.76 0.12 -0.53 -0.07 0.00 0.00 0.00 178.15 176.92 2yus h LEU 57 N -0.59 -1.54 -0.98 1.44 3.38 0.57 -1.62 115.31 115.97 2yus h LEU 57 Ca -0.03 0.15 0.33 0.00 0.09 0.00 0.00 57.88 58.42 2yus h LEU 57 Cb 0.43 0.55 -0.18 0.00 0.09 0.00 0.00 40.66 41.55 2yus h LEU 57 CO 0.05 -0.60 0.25 1.57 0.09 0.00 0.00 178.44 179.80 2yus n HIS 58 N -5.52 0.86 0.41 1.13 -0.00 -0.41 -0.69 115.22 111.01 2yus n HIS 58 Ca -0.10 1.16 -0.16 0.00 0.46 0.00 0.00 57.72 59.09 2yus n HIS 58 Cb 0.43 -1.38 -0.08 0.00 -0.12 0.00 0.00 29.99 28.85 2yus n HIS 58 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 2yus h PHE 59 N 0.00 -0.97 -1.31 1.57 3.57 -1.21 -2.50 116.94 116.08 2yus h PHE 59 Ca 0.70 -0.02 0.43 0.00 3.53 0.00 0.00 57.97 62.60 2yus h PHE 59 Cb 1.66 0.32 -0.13 0.00 2.79 0.00 0.00 35.95 40.60 2yus h PHE 59 CO -0.27 -0.61 0.84 -0.07 -2.23 0.00 0.00 178.31 175.97 2yus h LEU 60 N -1.12 0.25 -0.25 0.59 -0.00 -0.39 0.73 115.31 115.13 2yus h LEU 60 Ca -0.11 0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2yus h LEU 60 Cb 0.81 0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2yus h LEU 60 CO 0.18 -0.17 -0.04 0.03 -0.00 0.00 0.00 178.44 178.44 2yus h ARG 61 N 0.10 0.46 -4.72 1.13 3.08 -1.07 -3.46 114.38 109.91 2yus h ARG 61 Ca 0.81 -0.17 -0.46 0.00 0.07 0.00 0.00 59.98 60.24 2yus h ARG 61 Cb 2.53 -0.03 0.16 0.00 0.08 0.00 0.00 29.97 32.71 2yus h ARG 61 CO -0.41 0.67 -1.12 1.28 -1.07 0.00 0.00 179.97 179.32 2yus n LEU 62 N -4.58 -3.59 -4.65 3.04 4.77 0.25 -4.76 117.00 107.49 2yus n LEU 62 Ca -0.04 0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 2yus n LEU 62 Cb 0.28 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 2yus n LEU 62 CO 0.39 -4.14 1.30 -2.16 -1.33 0.00 0.00 177.39 171.45 2yus s PRO 63 N -1.09 4.08 -0.15 3.23 0.04 -1.26 -5.01 135.00 134.85 2yus s PRO 63 Ca 0.40 1.91 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 2yus s PRO 63 Cb -0.30 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 2yus s PRO 63 CO 0.57 -0.94 0.12 0.96 0.04 0.00 0.00 177.00 177.75 2yus s ILE 64 N 4.24 5.35 0.54 0.56 -4.36 -1.26 -5.09 121.20 121.17 2yus s ILE 64 Ca 0.68 0.16 -0.16 0.00 -0.26 0.00 0.00 60.65 61.07 2yus s ILE 64 Cb -0.28 -3.37 -0.07 0.00 1.25 0.00 0.00 42.46 39.99 2yus s ILE 64 CO 0.26 0.55 1.00 -1.83 0.24 0.00 0.00 174.94 175.15 2yus s GLU 65 N -0.45 3.85 -0.27 0.37 1.03 -1.26 -5.08 118.70 116.89 2yus s GLU 65 Ca 0.12 0.94 -0.25 0.00 0.03 0.00 0.00 54.97 55.81 2yus s GLU 65 Cb -0.12 -2.12 0.08 0.00 -0.80 0.00 0.00 34.13 31.17 2yus s GLU 65 CO 0.02 -0.36 0.75 0.34 -1.33 0.00 0.00 175.26 174.68 2yus s ASP 66 N -3.21 -0.72 0.17 0.83 2.15 -1.26 -5.06 116.67 109.57 2yus s ASP 66 Ca 0.59 1.40 -0.08 0.00 0.43 0.00 0.00 52.55 54.88 2yus s ASP 66 Cb -0.10 1.41 0.03 0.00 -0.30 0.00 0.00 42.92 43.96 2yus s ASP 66 CO 0.35 -0.24 1.51 1.55 -0.17 0.00 0.00 175.17 178.17 2yus h PRO 67 N 4.96 0.83 -1.53 4.34 0.13 -2.08 -3.19 132.00 135.45 2yus h PRO 67 Ca -0.29 -0.43 -0.70 0.00 -0.87 0.00 0.00 66.00 63.71 2yus h PRO 67 Cb 1.16 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2yus h PRO 67 CO 0.06 1.07 0.93 2.48 -0.23 0.00 0.00 178.00 182.30 2yus n TYR 68 N -4.05 2.97 -2.83 1.56 4.11 -1.26 -4.88 117.16 112.78 2yus n TYR 68 Ca -0.02 -2.61 -0.43 0.00 -0.00 0.00 0.00 57.90 54.83 2yus n TYR 68 Cb 0.54 -1.31 -0.01 0.00 -0.00 0.00 0.00 39.34 38.56 2yus n TYR 68 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2yus s LEU 69 N -3.78 4.65 -0.76 -3.48 2.96 -1.21 -4.95 118.68 112.11 2yus s LEU 69 Ca 0.57 -2.48 -0.17 0.00 -0.22 0.00 0.00 54.13 51.83 2yus s LEU 69 Cb 0.46 -2.45 0.15 0.00 0.50 0.00 0.00 46.19 44.85 2yus s LEU 69 CO -0.21 -0.99 0.83 -0.70 -1.32 0.00 0.00 176.35 173.96 2yus s GLU 70 N 2.74 3.39 -0.21 1.98 2.12 -1.26 -4.97 118.70 122.49 2yus s GLU 70 Ca 0.43 -1.85 -0.27 0.00 0.36 0.00 0.00 54.97 53.63 2yus s GLU 70 Cb -0.02 -4.50 0.11 0.00 0.26 0.00 0.00 34.13 29.98 2yus s GLU 70 CO -0.02 -1.51 0.93 0.54 -0.54 0.00 0.00 175.26 174.67 2yus s ASN 71 N 3.13 -0.49 -0.41 -1.70 4.22 -1.26 -5.13 114.94 113.30 2yus s ASN 71 Ca 0.19 0.77 0.03 0.00 -2.14 0.00 0.00 52.86 51.71 2yus s ASN 71 Cb -0.14 0.72 0.12 0.00 1.28 0.00 0.00 41.25 43.23 2yus s ASN 71 CO -0.03 -0.29 0.17 -0.44 -2.04 0.00 0.00 177.10 174.47 2yus s SER 72 N -0.38 4.18 0.13 3.54 0.01 -1.26 -4.98 113.70 114.94 2yus s SER 72 Ca -0.01 -2.43 -0.19 0.00 1.31 0.00 0.00 55.95 54.63 2yus s SER 72 Cb -0.03 -1.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 2yus s SER 72 CO -0.01 -0.31 1.74 0.44 0.41 0.00 0.00 173.24 175.51 2yus h ASP 73 N 7.14 0.03 -2.69 2.44 5.19 -2.02 -3.43 116.42 123.08 2yus h ASP 73 Ca -0.06 0.03 -0.59 0.00 -0.62 0.00 0.00 57.03 55.79 2yus h ASP 73 Cb 0.96 0.04 -0.11 0.00 0.18 0.00 0.00 39.33 40.39 2yus h ASP 73 CO 0.55 0.05 -0.67 -0.55 -3.12 0.00 0.00 179.24 175.49 2yus s SER 74 N -5.28 4.58 0.00 6.45 0.15 -1.26 -5.14 113.70 113.20 2yus s SER 74 Ca -0.13 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.00 2yus s SER 74 Cb 0.10 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2yus s SER 74 CO 0.69 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.80 2yus n GLY 75 N -0.34 6.98 3.70 9.45 0.00 -1.26 -5.11 105.19 118.62 2yus n GLY 75 Ca -0.09 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 2yus n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yus s PRO 76 N 0.87 4.30 0.39 1.61 0.04 -1.26 -5.03 135.00 135.93 2yus s PRO 76 Ca 0.00 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2yus s PRO 76 Cb 0.00 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2yus s PRO 76 CO 0.00 -0.51 0.31 0.45 0.04 0.00 0.00 177.00 177.30 2yus s SER 77 N 1.53 5.00 0.25 6.66 0.15 -1.26 -5.02 113.70 121.01 2yus s SER 77 Ca 0.65 -0.73 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 2yus s SER 77 Cb -0.34 -0.67 0.43 0.00 -1.71 0.00 0.00 66.02 63.72 2yus s SER 77 CO 0.29 -0.54 1.82 0.77 1.20 0.00 0.00 173.24 176.78 2yus h SER 78 N 1.17 0.76 0.00 5.45 4.64 -2.09 -3.58 113.55 119.90 2yus h SER 78 Ca -0.43 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2yus h SER 78 Cb 1.26 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2yus h SER 78 CO 0.59 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.60