#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 5.12 -0.36 1.61 0.01 -1.26 -5.10 113.70 113.72 2yus s SER 2 Ca 0.00 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.07 2yus s SER 2 Cb 0.00 -1.25 0.07 0.00 0.21 0.00 0.00 66.02 65.05 2yus s SER 2 CO 0.00 0.17 0.13 -0.44 0.41 0.00 0.00 173.24 173.52 2yus s SER 3 N -2.34 5.24 0.00 2.44 0.01 -1.26 -5.03 113.70 112.76 2yus s SER 3 Ca 0.26 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2yus s SER 3 Cb -0.12 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2yus s SER 3 CO 0.19 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2yus n GLY 4 N 4.72 1.58 3.69 3.44 0.00 -1.26 -5.01 105.19 112.35 2yus n GLY 4 Ca -0.09 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.94 2yus n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yus n SER 5 N -0.13 -5.02 -4.14 1.61 2.88 -1.26 -4.97 113.62 102.58 2yus n SER 5 Ca 0.00 -0.65 -0.29 0.00 -1.33 0.00 0.00 58.87 56.60 2yus n SER 5 Cb 0.00 -4.59 0.22 0.00 -0.75 0.00 0.00 64.21 59.08 2yus n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yus s SER 6 N -3.51 1.59 -0.80 -3.46 0.15 -1.26 -5.00 113.70 101.42 2yus s SER 6 Ca 0.51 0.81 -0.03 0.00 0.70 0.00 0.00 55.95 57.94 2yus s SER 6 Cb -0.24 -1.20 0.20 0.00 -1.71 0.00 0.00 66.02 63.08 2yus s SER 6 CO 0.77 -3.73 0.67 -0.83 1.20 0.00 0.00 173.24 171.32 2yus s GLY 7 N -3.78 2.87 -0.23 9.45 0.00 -1.26 -4.99 107.32 109.38 2yus s GLY 7 Ca 0.69 -3.63 -0.04 0.00 0.00 0.00 0.00 44.72 41.74 2yus s GLY 7 CO 0.56 1.17 0.40 -1.59 0.00 0.00 0.00 173.10 173.64 2yus s THR 8 N -0.85 -0.63 -0.82 0.90 2.01 -1.26 -5.10 115.64 109.89 2yus s THR 8 Ca 0.23 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 2yus s THR 8 Cb -0.12 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.67 2yus s THR 8 CO -0.09 -0.04 1.39 -0.22 -0.69 0.00 0.00 174.62 174.97 2yus s LEU 9 N 2.58 3.27 0.66 4.42 1.98 -1.26 -4.99 118.68 125.33 2yus s LEU 9 Ca 0.07 -0.71 -0.05 0.00 -2.89 0.00 0.00 54.13 50.56 2yus s LEU 9 Cb -0.14 -2.56 0.05 0.00 0.66 0.00 0.00 46.19 44.20 2yus s LEU 9 CO -0.15 -1.80 0.94 0.00 -1.89 0.00 0.00 176.35 173.45 2yus s ALA 10 N 5.86 3.36 -0.26 5.97 0.00 -1.26 -5.05 121.76 130.39 2yus s ALA 10 Ca 0.41 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 2yus s ALA 10 Cb -0.06 -2.46 -0.14 0.00 0.00 0.00 0.00 23.12 20.46 2yus s ALA 10 CO 0.07 -1.12 -0.29 1.63 0.00 0.00 0.00 175.76 176.06 2yus n LYS 11 N -2.74 0.59 -2.58 0.00 4.01 -1.26 -4.93 118.16 111.25 2yus n LYS 11 Ca 0.08 0.20 -0.42 0.00 -0.51 0.00 0.00 58.31 57.66 2yus n LYS 11 Cb 0.60 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.62 2yus n LYS 11 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2yus s SER 12 N -6.97 7.19 -0.24 4.39 0.15 -1.26 -5.01 113.70 111.96 2yus s SER 12 Ca -0.36 1.74 -0.22 0.00 0.70 0.00 0.00 55.95 57.81 2yus s SER 12 Cb 0.12 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.85 2yus s SER 12 CO 0.52 -0.44 0.72 -0.54 1.20 0.00 0.00 173.24 174.70 2yus s LYS 13 N 1.61 4.16 0.00 5.44 -0.14 -1.26 -4.89 119.74 124.66 2yus s LYS 13 Ca 0.54 0.75 0.00 0.00 -1.36 0.00 0.00 55.97 55.89 2yus s LYS 13 Cb -0.23 -3.64 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 2yus s LYS 13 CO 0.24 -0.43 0.00 0.41 -0.76 0.00 0.00 175.35 174.81 2yus n GLY 14 N 3.91 0.61 3.27 -3.33 0.00 -1.26 -4.98 105.19 103.40 2yus n GLY 14 Ca 0.02 -2.20 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 2yus n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yus s ALA 15 N -1.83 3.19 0.04 4.61 0.00 -1.26 -5.08 121.76 121.42 2yus s ALA 15 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 51.96 49.99 2yus s ALA 15 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2yus s ALA 15 CO 0.00 -1.53 0.01 -1.54 0.00 0.00 0.00 175.76 172.71 2yus s SER 16 N 1.78 5.15 0.30 0.00 1.04 -1.26 -5.13 113.70 115.58 2yus s SER 16 Ca 0.02 -0.06 0.07 0.00 0.48 0.00 0.00 55.95 56.45 2yus s SER 16 Cb -0.21 -1.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 2yus s SER 16 CO 0.02 0.23 0.31 0.00 0.98 0.00 0.00 173.24 174.79 2yus s ALA 17 N -1.19 3.86 -1.30 5.32 0.00 -1.26 -5.00 121.76 122.20 2yus s ALA 17 Ca 0.23 -1.49 -0.08 0.00 0.00 0.00 0.00 51.96 50.62 2yus s ALA 17 Cb -0.12 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.54 2yus s ALA 17 CO 0.14 0.10 2.55 0.41 0.00 0.00 0.00 175.76 178.97 2yus n GLY 18 N -1.38 3.73 2.75 0.00 0.00 -1.26 -4.66 105.19 104.37 2yus n GLY 18 Ca -0.04 -1.21 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 2yus n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yus n ARG 19 N 4.00 2.72 -4.22 1.61 1.74 -1.26 -4.93 116.66 116.31 2yus n ARG 19 Ca 0.63 -3.11 -0.16 0.00 -0.77 0.00 0.00 57.85 54.43 2yus n ARG 19 Cb 0.20 -2.23 -0.11 0.00 -1.02 0.00 0.00 32.46 29.29 2yus n ARG 19 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2yus s GLU 20 N -3.16 0.98 -0.11 5.56 2.56 -1.26 -5.11 118.70 118.15 2yus s GLU 20 Ca 0.54 -1.25 -0.30 0.00 0.00 0.00 0.00 54.97 53.97 2yus s GLU 20 Cb 0.41 -0.74 -0.03 0.00 2.00 0.00 0.00 34.13 35.77 2yus s GLU 20 CO -0.33 0.13 1.32 -1.58 -0.56 0.00 0.00 175.26 174.23 2yus s TRP 21 N -2.44 2.78 0.41 5.30 0.52 -1.26 -5.02 118.94 119.23 2yus s TRP 21 Ca 0.09 0.91 0.02 0.00 0.02 0.00 0.00 56.10 57.14 2yus s TRP 21 Cb -0.03 -3.56 -0.01 0.00 -1.15 0.00 0.00 33.47 28.72 2yus s TRP 21 CO 0.02 -2.02 0.60 0.95 0.02 0.00 0.00 176.95 176.52 2yus s THR 22 N 3.24 4.04 0.12 2.01 -4.23 -1.26 -4.92 115.64 114.64 2yus s THR 22 Ca 0.58 -0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 60.20 2yus s THR 22 Cb -0.25 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 2yus s THR 22 CO 0.19 -0.27 1.69 -0.33 -0.54 0.00 0.00 174.62 175.36 2yus h GLU 23 N 0.57 -0.09 -0.79 3.99 5.08 -1.99 0.14 114.58 121.49 2yus h GLU 23 Ca -0.46 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.08 2yus h GLU 23 Cb 1.25 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.42 2yus h GLU 23 CO 0.56 -0.06 0.28 -0.56 -1.00 0.00 0.00 179.01 178.23 2yus h GLN 24 N -0.10 0.36 0.07 2.33 3.07 -2.01 -1.90 115.11 116.93 2yus h GLN 24 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 58.65 58.79 2yus h GLN 24 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.68 2yus h GLN 24 CO -0.17 0.24 -0.03 0.93 0.09 0.00 0.00 178.83 179.88 2yus h GLU 25 N 0.37 -0.09 -0.98 0.06 4.39 -1.80 -3.07 114.58 113.47 2yus h GLU 25 Ca 0.46 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.43 2yus h GLU 25 Cb 0.78 0.02 -0.18 0.00 -0.10 0.00 0.00 28.75 29.27 2yus h GLU 25 CO -0.48 0.40 0.05 1.15 -1.16 0.00 0.00 179.01 178.97 2yus h THR 26 N -0.62 0.04 0.08 1.13 2.02 0.01 0.31 112.91 115.88 2yus h THR 26 Ca -0.01 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2yus h THR 26 Cb 0.53 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2yus h THR 26 CO 0.01 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.80 2yus h LEU 27 N 0.02 -0.10 -0.67 2.58 3.38 -1.43 -2.98 115.31 116.11 2yus h LEU 27 Ca 0.60 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.54 2yus h LEU 27 Cb 1.24 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 2yus h LEU 27 CO -0.90 0.10 0.19 -0.07 0.09 0.00 0.00 178.44 177.85 2yus h LEU 28 N -0.29 0.10 0.03 1.67 3.38 -0.37 0.17 115.31 120.00 2yus h LEU 28 Ca -0.01 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2yus h LEU 28 Cb 0.25 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2yus h LEU 28 CO 0.02 0.04 -0.47 0.25 0.09 0.00 0.00 178.44 178.36 2yus h LEU 29 N 0.33 -1.44 -1.06 1.67 5.85 -0.94 0.19 115.31 119.90 2yus h LEU 29 Ca 0.36 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 2yus h LEU 29 Cb 0.55 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2yus h LEU 29 CO -0.41 -0.50 0.34 -0.07 -0.34 0.00 0.00 178.44 177.45 2yus h LEU 30 N -0.64 0.90 -1.95 2.25 3.38 -1.27 0.20 115.31 118.19 2yus h LEU 30 Ca 0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2yus h LEU 30 Cb 0.70 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2yus h LEU 30 CO -0.32 0.77 -0.11 -0.08 0.09 0.00 0.00 178.44 178.78 2yus h GLU 31 N 1.00 0.00 0.04 1.13 4.57 0.23 -2.68 114.58 118.87 2yus h GLU 31 Ca 0.24 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.14 2yus h GLU 31 Cb 0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2yus h GLU 31 CO -0.03 0.11 -1.55 0.00 -1.18 0.00 0.00 179.01 176.36 2yus n ALA 32 N -2.37 0.83 -0.27 2.92 0.00 0.59 -4.28 120.51 117.92 2yus n ALA 32 Ca -0.02 -0.54 0.08 0.00 0.00 0.00 0.00 53.44 52.96 2yus n ALA 32 Cb 0.20 -0.58 0.21 0.00 0.00 0.00 0.00 19.45 19.28 2yus n ALA 32 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2yus h LEU 33 N -0.63 -0.08 -1.98 0.00 3.38 -0.53 0.79 115.31 116.26 2yus h LEU 33 Ca -0.39 0.18 0.22 0.00 0.09 0.00 0.00 57.88 57.98 2yus h LEU 33 Cb 1.56 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 2yus h LEU 33 CO -0.12 -0.11 0.59 1.05 0.09 0.00 0.00 178.44 179.94 2yus h GLU 34 N 0.21 0.00 0.00 1.13 4.11 -1.66 1.90 114.58 120.27 2yus h GLU 34 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 2yus h GLU 34 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2yus h GLU 34 CO -0.60 0.00 -0.75 -1.33 0.07 0.00 0.00 179.01 176.40 2yus n MET 35 N -4.15 0.41 -1.04 1.06 2.81 0.22 -4.57 117.12 111.87 2yus n MET 35 Ca 0.16 0.20 -0.23 0.00 -1.81 0.00 0.00 57.70 56.02 2yus n MET 35 Cb 0.87 -1.27 0.09 0.00 -0.71 0.00 0.00 33.22 32.20 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 -4.07 2.36 -0.33 2.03 4.01 0.16 -4.72 117.16 116.60 2yus n TYR 36 Ca -0.10 -2.11 -0.06 0.00 -0.16 0.00 0.00 57.90 55.47 2yus n TYR 36 Cb 0.39 -1.04 -0.03 0.00 -0.31 0.00 0.00 39.34 38.35 2yus n TYR 36 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2yus n LYS 37 N -0.47 -0.29 0.04 -0.72 2.85 0.64 -0.59 118.16 119.63 2yus n LYS 37 Ca 0.46 1.24 0.08 0.00 -1.05 0.00 0.00 58.31 59.04 2yus n LYS 37 Cb 0.92 -1.84 -0.08 0.00 -0.65 0.00 0.00 35.03 33.38 2yus n LYS 37 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2yus n ASP 38 N -5.10 0.53 -2.17 -5.58 -0.08 -1.26 -4.33 116.55 98.56 2yus n ASP 38 Ca 0.04 0.21 -0.18 0.00 -1.51 0.00 0.00 54.79 53.36 2yus n ASP 38 Cb 0.26 0.91 -0.09 0.00 2.34 0.00 0.00 41.12 44.54 2yus n ASP 38 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2yus n ASP 39 N -2.59 5.89 -0.34 1.67 9.92 0.24 -4.66 116.55 126.68 2yus n ASP 39 Ca -0.05 -2.84 0.28 0.00 -0.53 0.00 0.00 54.79 51.64 2yus n ASP 39 Cb 0.65 -1.29 0.53 0.00 -0.64 0.00 0.00 41.12 40.38 2yus n ASP 39 CO 0.00 0.00 0.00 -0.50 0.13 0.00 0.00 177.20 176.83 2yus h TRP 40 N 2.74 0.85 -1.30 1.24 4.06 -1.67 0.20 115.95 122.07 2yus h TRP 40 Ca 0.28 0.04 0.43 0.00 2.06 0.00 0.00 58.89 61.69 2yus h TRP 40 Cb 1.08 -0.21 -0.11 0.00 -1.00 0.00 0.00 29.16 28.92 2yus h TRP 40 CO 1.46 -0.28 0.86 -1.71 -3.56 0.00 0.00 178.44 175.21 2yus n ASN 41 N -5.08 0.13 -0.01 -3.49 2.85 -1.26 0.14 115.26 108.54 2yus n ASN 41 Ca 0.34 1.10 -0.21 0.00 -0.11 0.00 0.00 54.58 55.70 2yus n ASN 41 Cb 1.14 -0.54 -0.14 0.00 1.24 0.00 0.00 39.78 41.48 2yus n ASN 41 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2yus n LYS 42 N -4.21 0.74 -0.31 1.20 5.02 0.69 -4.25 118.16 117.05 2yus n LYS 42 Ca 0.35 0.25 0.16 0.00 -2.02 0.00 0.00 58.31 57.04 2yus n LYS 42 Cb 1.43 -1.68 0.33 0.00 -0.02 0.00 0.00 35.03 35.09 2yus n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2yus h VAL 43 N 0.06 0.28 -0.19 -0.18 2.07 0.13 0.11 116.25 118.53 2yus h VAL 43 Ca -0.44 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2yus h VAL 43 Cb 2.02 0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 2yus h VAL 43 CO 0.06 0.04 -0.16 0.77 0.02 0.00 0.00 177.57 178.30 2yus h SER 44 N 0.21 -0.51 0.08 0.57 4.64 -1.54 -2.54 113.55 114.46 2yus h SER 44 Ca 0.60 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 2yus h SER 44 Cb 1.25 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 2yus h SER 44 CO -0.67 -0.20 -0.08 -0.33 -0.87 0.00 0.00 176.83 174.68 2yus h GLU 45 N -0.17 -0.17 -0.95 4.77 4.39 -1.02 -2.89 114.58 118.55 2yus h GLU 45 Ca 0.12 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.95 2yus h GLU 45 Cb 0.34 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 28.89 2yus h GLU 45 CO -0.29 -0.11 -0.46 1.25 -1.16 0.00 0.00 179.01 178.24 2yus h HIS 46 N -0.17 -1.37 0.14 4.33 2.76 -0.91 -1.88 115.15 118.04 2yus h HIS 46 Ca 0.00 0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2yus h HIS 46 Cb 0.17 0.73 -0.02 0.00 1.55 0.00 0.00 27.41 29.84 2yus h HIS 46 CO -0.11 -0.40 -0.23 0.28 -1.30 0.00 0.00 177.93 176.18 2yus h VAL 47 N -0.03 0.00 0.00 5.26 2.07 -1.32 -3.48 116.25 118.75 2yus h VAL 47 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 2yus h VAL 47 Cb 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2yus h VAL 47 CO -0.94 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.26 2yus n GLY 48 N -1.23 3.24 2.55 2.17 0.00 -0.71 -4.92 105.19 106.29 2yus n GLY 48 Ca -0.04 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 3.70 -3.81 1.61 2.88 -1.26 -4.94 113.62 111.81 2yus n SER 49 Ca 0.00 -3.43 -0.12 0.00 -1.33 0.00 0.00 58.87 53.99 2yus n SER 49 Cb 0.00 -0.49 -0.09 0.00 -0.75 0.00 0.00 64.21 62.88 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 -3.39 0.61 0.58 -1.46 1.81 -1.26 -5.12 118.95 110.72 2yus s ARG 50 Ca 0.42 -0.31 0.08 0.00 -1.72 0.00 0.00 55.73 54.20 2yus s ARG 50 Cb 0.40 0.26 0.08 0.00 -0.45 0.00 0.00 34.95 35.24 2yus s ARG 50 CO -0.12 -0.16 0.67 0.95 -0.68 0.00 0.00 175.30 175.95 2yus s THR 51 N -1.47 1.89 0.07 0.02 -4.23 -1.26 -4.48 115.64 106.18 2yus s THR 51 Ca -0.13 -1.18 -0.37 0.00 -1.18 0.00 0.00 61.69 58.83 2yus s THR 51 Cb -0.06 -2.07 -0.19 0.00 1.34 0.00 0.00 72.50 71.52 2yus s THR 51 CO 0.02 0.00 1.57 1.56 -0.54 0.00 0.00 174.62 177.23 2yus h GLN 52 N 0.35 -1.13 -0.01 3.99 7.50 -1.95 -0.52 115.11 123.34 2yus h GLN 52 Ca -0.32 0.08 0.01 0.00 0.50 0.00 0.00 58.65 58.92 2yus h GLN 52 Cb 1.30 0.26 -0.03 0.00 0.05 0.00 0.00 27.48 29.05 2yus h GLN 52 CO 0.46 -0.75 -0.28 -0.44 -1.50 0.00 0.00 178.83 176.32 2yus h ASP 53 N -1.18 -0.86 -0.62 1.46 3.32 -1.98 -0.58 116.42 115.99 2yus h ASP 53 Ca -0.10 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.13 2yus h ASP 53 Cb 0.95 0.33 -0.11 0.00 0.22 0.00 0.00 39.33 40.72 2yus h ASP 53 CO 0.08 -0.27 -0.48 -0.33 -1.72 0.00 0.00 179.24 176.53 2yus h GLU 54 N -0.34 -0.21 -0.77 3.56 4.39 -1.96 0.13 114.58 119.38 2yus h GLU 54 Ca 0.01 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.90 2yus h GLU 54 Cb 0.37 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.94 2yus h GLU 54 CO -0.19 -0.14 0.12 0.00 -1.16 0.00 0.00 179.01 177.64 2yus h ILE 56 N 0.19 0.00 -0.32 0.00 2.04 0.85 -2.88 117.51 117.39 2yus h ILE 56 Ca 0.44 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.33 2yus h ILE 56 Cb 0.79 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2yus h ILE 56 CO -0.60 0.00 -0.19 0.18 0.00 0.00 0.00 178.15 177.55 2yus n LEU 57 N -4.91 -0.34 -0.32 1.44 4.77 -0.66 0.60 117.00 117.58 2yus n LEU 57 Ca -0.11 1.16 0.21 0.00 -0.03 0.00 0.00 56.01 57.24 2yus n LEU 57 Cb 0.39 -0.37 0.40 0.00 -2.33 0.00 0.00 43.42 41.51 2yus n LEU 57 CO 0.25 -0.76 0.87 1.57 -1.33 0.00 0.00 177.39 177.99 2yus n HIS 58 N -3.69 0.82 0.03 -1.77 -0.00 -1.03 0.12 115.22 109.70 2yus n HIS 58 Ca 0.01 1.15 -0.13 0.00 0.46 0.00 0.00 57.72 59.21 2yus n HIS 58 Cb 0.08 -1.35 -0.09 0.00 -0.12 0.00 0.00 29.99 28.51 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 -0.10 -1.00 1.57 3.57 0.39 -1.06 116.94 120.30 2yus h PHE 59 Ca 0.68 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 62.49 2yus h PHE 59 Cb 1.59 0.03 -0.15 0.00 2.79 0.00 0.00 35.95 40.22 2yus h PHE 59 CO -0.29 0.34 0.57 -0.07 -2.23 0.00 0.00 178.31 176.62 2yus h LEU 60 N -0.58 0.53 0.07 0.59 3.38 0.31 0.25 115.31 119.86 2yus h LEU 60 Ca -0.01 0.18 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2yus h LEU 60 Cb 0.48 0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2yus h LEU 60 CO 0.02 -0.11 -0.54 0.08 0.09 0.00 0.00 178.44 177.98 2yus h ARG 61 N 0.36 0.25 -6.23 1.13 0.11 -1.22 -3.47 114.38 105.30 2yus h ARG 61 Ca 0.72 -0.36 -0.57 0.00 0.10 0.00 0.00 59.98 59.88 2yus h ARG 61 Cb 1.61 0.12 0.21 0.00 1.11 0.00 0.00 29.97 33.02 2yus h ARG 61 CO -0.59 1.12 -1.18 1.28 0.10 0.00 0.00 179.97 180.70 2yus n LEU 62 N -4.29 -3.13 -4.62 0.08 4.77 0.08 -4.79 117.00 105.09 2yus n LEU 62 Ca -0.12 0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.87 2yus n LEU 62 Cb 0.68 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2yus n LEU 62 CO 0.44 -4.74 1.40 -2.16 -1.33 0.00 0.00 177.39 171.00 2yus s PRO 63 N -2.06 3.65 0.37 3.23 0.04 -1.26 -4.97 135.00 134.01 2yus s PRO 63 Ca 0.53 1.53 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2yus s PRO 63 Cb -0.32 -4.08 -0.07 0.00 0.04 0.00 0.00 34.50 30.08 2yus s PRO 63 CO 0.71 -1.47 -0.03 0.96 0.04 0.00 0.00 177.00 177.20 2yus s ILE 64 N 5.68 2.19 -0.29 0.56 -5.25 -1.26 -5.08 121.20 117.75 2yus s ILE 64 Ca 0.73 -2.08 -0.29 0.00 -0.99 0.00 0.00 60.65 58.02 2yus s ILE 64 Cb -0.23 -2.81 -0.02 0.00 2.95 0.00 0.00 42.46 42.35 2yus s ILE 64 CO 0.31 -0.12 1.74 -1.61 -1.79 0.00 0.00 174.94 173.47 2yus s GLU 65 N -3.67 3.49 0.35 0.37 8.01 -1.26 -4.96 118.70 121.02 2yus s GLU 65 Ca 0.34 1.51 -0.28 0.00 0.01 0.00 0.00 54.97 56.55 2yus s GLU 65 Cb 0.05 -4.15 -0.10 0.00 -4.31 0.00 0.00 34.13 25.63 2yus s GLU 65 CO 0.18 -1.67 1.25 0.34 0.01 0.00 0.00 175.26 175.37 2yus s ASP 66 N 5.47 6.71 0.52 -0.19 2.15 -1.26 -4.92 116.67 125.15 2yus s ASP 66 Ca 0.77 2.57 0.30 0.00 0.43 0.00 0.00 52.55 56.63 2yus s ASP 66 Cb -0.23 -2.64 1.27 0.00 -0.30 0.00 0.00 42.92 41.01 2yus s ASP 66 CO 0.33 -0.56 1.96 1.55 -0.17 0.00 0.00 175.17 178.27 2yus h PRO 67 N 3.18 0.00 -1.01 4.34 0.13 -2.04 -3.06 132.00 133.54 2yus h PRO 67 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2yus h PRO 67 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2yus h PRO 67 CO 0.65 0.09 0.67 1.88 -0.23 0.00 0.00 178.00 181.05 2yus h TYR 68 N 0.00 1.27 -0.69 1.56 -1.99 -2.02 -3.03 116.97 112.07 2yus h TYR 68 Ca -0.00 0.03 -0.65 0.00 2.00 0.00 0.00 58.73 60.10 2yus h TYR 68 Cb 0.55 -0.43 -0.08 0.00 2.00 0.00 0.00 36.73 38.78 2yus h TYR 68 CO 0.00 0.79 2.48 1.28 -0.00 0.00 0.00 178.16 182.72 2yus n LEU 69 N -4.39 7.94 -0.13 3.88 4.32 -1.16 -4.34 117.00 123.12 2yus n LEU 69 Ca 0.12 -4.52 -0.23 0.00 -0.02 0.00 0.00 56.01 51.37 2yus n LEU 69 Cb 0.02 -1.42 -0.10 0.00 -1.62 0.00 0.00 43.42 40.30 2yus n LEU 69 CO 0.37 2.01 -1.34 1.21 -1.22 0.00 0.00 177.39 178.41 2yus n GLU 70 N 2.29 0.58 -0.34 3.23 2.13 -1.15 -4.52 120.64 122.85 2yus n GLU 70 Ca 0.65 0.19 0.11 0.00 0.66 0.00 0.00 57.16 58.77 2yus n GLU 70 Cb 0.32 -1.45 0.23 0.00 0.27 0.00 0.00 31.44 30.80 2yus n GLU 70 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2yus n ASN 71 N -3.70 -0.21 -4.66 4.31 0.23 -1.26 -4.40 115.26 105.56 2yus n ASN 71 Ca -0.47 1.67 -0.46 0.00 -0.53 0.00 0.00 54.58 54.79 2yus n ASN 71 Cb 0.91 -0.57 -0.04 0.00 -2.08 0.00 0.00 39.78 38.00 2yus n ASN 71 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2yus n SER 72 N -5.52 2.87 -4.55 0.53 2.88 -1.26 -4.77 113.62 103.80 2yus n SER 72 Ca 0.20 1.10 -0.20 0.00 -1.33 0.00 0.00 58.87 58.64 2yus n SER 72 Cb 0.65 -1.40 -0.07 0.00 -0.75 0.00 0.00 64.21 62.63 2yus n SER 72 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yus n ASP 73 N 3.02 1.65 -3.23 -3.46 2.03 -1.26 -4.76 116.55 110.53 2yus n ASP 73 Ca 0.16 -1.16 0.04 0.00 0.52 0.00 0.00 54.79 54.35 2yus n ASP 73 Cb 0.29 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.11 2yus n ASP 73 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2yus s SER 74 N 10.38 -0.34 0.00 1.67 1.04 -1.26 -5.16 113.70 120.02 2yus s SER 74 Ca 0.98 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2yus s SER 74 Cb -0.22 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.24 2yus s SER 74 CO 0.17 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2yus n GLY 75 N 5.05 2.76 0.00 7.32 0.00 -1.26 -4.76 105.19 114.30 2yus n GLY 75 Ca -0.08 -1.74 0.06 0.00 0.00 0.00 0.00 46.02 44.27 2yus n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yus n PRO 76 N 0.60 0.49 -0.29 1.61 -0.04 -1.26 -3.96 135.00 132.15 2yus n PRO 76 Ca 0.00 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.71 2yus n PRO 76 Cb 0.00 -1.36 0.47 0.00 -0.04 0.00 0.00 33.50 32.57 2yus n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yus n SER 77 N -0.86 0.22 -3.64 3.54 3.41 -1.26 -4.52 113.62 110.51 2yus n SER 77 Ca 0.09 1.49 -0.08 0.00 -0.26 0.00 0.00 58.87 60.11 2yus n SER 77 Cb 0.04 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 2yus n SER 77 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yus s SER 78 N -4.67 -0.39 0.00 4.04 0.15 -1.25 -5.24 113.70 106.34 2yus s SER 78 Ca -0.09 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2yus s SER 78 Cb 0.29 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 2yus s SER 78 CO 0.70 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.62