#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yus n SER 2 N 0.00 -1.11 -4.38 1.61 3.41 -1.26 -4.88 113.62 107.02 2yus n SER 2 Ca 0.00 -1.08 -0.45 0.00 -0.26 0.00 0.00 58.87 57.08 2yus n SER 2 Cb 0.00 -2.54 -0.04 0.00 -0.26 0.00 0.00 64.21 61.36 2yus n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yus s SER 3 N -3.95 6.28 0.00 4.04 0.15 -1.26 -4.87 113.70 114.09 2yus s SER 3 Ca 0.30 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.35 2yus s SER 3 Cb -0.17 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2yus s SER 3 CO 0.94 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2yus n GLY 4 N 5.18 2.76 3.68 9.45 0.00 -1.26 -5.16 105.19 119.84 2yus n GLY 4 Ca -0.04 -1.52 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 0.26 -0.12 1.61 0.15 -1.26 -5.09 113.70 109.25 2yus s SER 5 Ca 0.00 -1.16 -0.03 0.00 0.70 0.00 0.00 55.95 55.45 2yus s SER 5 Cb 0.00 0.74 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 2yus s SER 5 CO 0.00 -1.44 -0.13 -1.54 1.20 0.00 0.00 173.24 171.33 2yus n SER 6 N -1.14 1.75 0.00 5.45 3.41 -1.26 -5.08 113.62 116.75 2yus n SER 6 Ca -0.04 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2yus n SER 6 Cb 0.61 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2yus n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yus n GLY 7 N 2.54 2.43 3.16 5.00 0.00 -1.26 -5.04 105.19 112.02 2yus n GLY 7 Ca -0.22 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 2yus n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yus s THR 8 N 0.00 0.08 -0.29 2.61 -4.23 -1.26 -5.13 115.64 107.42 2yus s THR 8 Ca 0.00 -1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 58.41 2yus s THR 8 Cb 0.00 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2yus s THR 8 CO 0.00 -0.38 0.48 -0.76 -0.54 0.00 0.00 174.62 173.43 2yus s LEU 9 N -3.07 4.13 0.22 4.79 1.02 -1.26 -4.96 118.68 119.55 2yus s LEU 9 Ca 0.27 0.32 -0.07 0.00 0.02 0.00 0.00 54.13 54.67 2yus s LEU 9 Cb 0.07 -2.59 0.36 0.00 0.02 0.00 0.00 46.19 44.05 2yus s LEU 9 CO 0.04 -0.32 1.73 0.00 0.02 0.00 0.00 176.35 177.82 2yus h ALA 10 N 8.17 0.89 -2.34 4.21 0.00 -2.02 -3.42 119.26 124.76 2yus h ALA 10 Ca -0.29 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2yus h ALA 10 Cb 1.14 0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.78 2yus h ALA 10 CO 0.71 -0.22 -0.19 0.15 0.00 0.00 0.00 179.25 179.70 2yus s LYS 11 N -6.07 0.50 1.00 0.00 1.02 -1.26 -5.16 119.74 109.78 2yus s LYS 11 Ca -0.13 1.05 -0.16 0.00 0.02 0.00 0.00 55.97 56.76 2yus s LYS 11 Cb 0.19 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 2yus s LYS 11 CO 0.75 -0.18 -0.04 -1.13 -0.92 0.00 0.00 175.35 173.84 2yus n SER 12 N 4.63 -2.92 -4.72 2.83 3.41 -1.26 -4.89 113.62 110.70 2yus n SER 12 Ca -0.18 0.18 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2yus n SER 12 Cb 0.55 -1.02 0.09 0.00 -0.26 0.00 0.00 64.21 63.57 2yus n SER 12 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2yus s LYS 13 N -3.19 2.13 -0.34 4.33 1.02 -1.26 -5.01 119.74 117.42 2yus s LYS 13 Ca 0.52 1.82 -0.08 0.00 0.02 0.00 0.00 55.97 58.26 2yus s LYS 13 Cb -0.16 -1.83 0.20 0.00 -0.52 0.00 0.00 37.83 35.53 2yus s LYS 13 CO 0.70 -1.85 1.08 0.20 -0.92 0.00 0.00 175.35 174.56 2yus s GLY 14 N -1.92 -1.79 0.26 -3.33 0.00 -1.26 -5.17 107.32 94.11 2yus s GLY 14 Ca 0.76 0.85 0.02 0.00 0.00 0.00 0.00 44.72 46.34 2yus s GLY 14 CO 0.45 4.31 0.22 0.00 0.00 0.00 0.00 173.10 178.08 2yus s ALA 15 N 1.34 1.39 0.00 3.20 0.00 -1.26 -5.08 121.76 121.35 2yus s ALA 15 Ca 0.20 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2yus s ALA 15 Cb 0.09 1.41 0.00 0.00 0.00 0.00 0.00 23.12 24.62 2yus s ALA 15 CO -0.12 -0.64 0.00 -1.13 0.00 0.00 0.00 175.76 173.87 2yus n SER 16 N -0.85 0.88 -0.22 0.00 3.41 -1.26 -4.84 113.62 110.74 2yus n SER 16 Ca 0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2yus n SER 16 Cb 0.64 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.68 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yus h ALA 17 N 0.00 0.84 -0.69 7.33 0.00 -2.06 -3.48 119.26 121.20 2yus h ALA 17 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2yus h ALA 17 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2yus h ALA 17 CO 0.00 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2yus n GLY 18 N -1.28 -0.09 3.20 0.00 0.00 -1.26 -4.94 105.19 100.83 2yus n GLY 18 Ca 0.08 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.12 -6.29 -3.99 1.61 5.12 -1.26 -5.00 116.66 106.72 2yus n ARG 19 Ca 0.00 0.74 -0.08 0.00 -1.93 0.00 0.00 57.85 56.57 2yus n ARG 19 Cb 0.00 -5.42 -0.09 0.00 -1.16 0.00 0.00 32.46 25.79 2yus n ARG 19 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2yus s GLU 20 N -6.00 0.81 -0.20 5.56 2.02 -1.26 -5.15 118.70 114.49 2yus s GLU 20 Ca 0.45 -1.14 -0.09 0.00 0.02 0.00 0.00 54.97 54.20 2yus s GLU 20 Cb -0.20 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.27 2yus s GLU 20 CO 0.56 -0.23 0.11 -1.58 0.02 0.00 0.00 175.26 174.14 2yus s TRP 21 N -3.92 3.35 0.27 1.61 0.52 -1.26 -5.05 118.94 114.46 2yus s TRP 21 Ca 0.10 0.24 0.06 0.00 0.02 0.00 0.00 56.10 56.52 2yus s TRP 21 Cb 0.06 -2.15 -0.02 0.00 -1.15 0.00 0.00 33.47 30.21 2yus s TRP 21 CO -0.07 0.23 0.39 0.95 0.02 0.00 0.00 176.95 178.46 2yus s THR 22 N 0.43 4.86 0.24 2.01 -4.23 -1.26 -4.75 115.64 112.93 2yus s THR 22 Ca 0.07 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 2yus s THR 22 Cb -0.12 -3.70 0.31 0.00 1.34 0.00 0.00 72.50 70.33 2yus s THR 22 CO -0.01 -0.28 1.17 1.21 -0.54 0.00 0.00 174.62 176.18 2yus n GLU 23 N -1.47 -0.06 0.00 3.99 2.13 -1.26 0.05 120.64 124.02 2yus n GLU 23 Ca -0.06 1.12 -0.00 0.00 0.66 0.00 0.00 57.16 58.87 2yus n GLU 23 Cb 0.57 -1.79 -0.00 0.00 0.27 0.00 0.00 31.44 30.49 2yus n GLU 23 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2yus h GLN 24 N 0.00 -0.01 -0.51 5.31 5.75 -2.00 -2.58 115.11 121.07 2yus h GLN 24 Ca 0.47 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 59.05 2yus h GLN 24 Cb 0.99 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.44 2yus h GLN 24 CO -0.70 -0.01 -0.40 0.93 -2.65 0.00 0.00 178.83 176.01 2yus h GLU 25 N -0.01 -0.24 -0.91 1.69 4.39 -1.46 -0.44 114.58 117.60 2yus h GLU 25 Ca -0.00 0.02 0.17 0.00 0.34 0.00 0.00 59.36 59.88 2yus h GLU 25 Cb 0.01 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 28.55 2yus h GLU 25 CO 0.00 -0.16 -0.28 1.15 -1.16 0.00 0.00 179.01 178.57 2yus h THR 26 N -0.25 0.07 0.68 1.13 2.02 -0.46 -0.92 112.91 115.19 2yus h THR 26 Ca 0.18 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.32 2yus h THR 26 Cb 0.56 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2yus h THR 26 CO -0.64 0.00 -0.33 -0.07 0.37 0.00 0.00 175.52 174.86 2yus h LEU 27 N -0.02 -0.78 -0.79 2.58 3.38 -0.71 -2.97 115.31 116.01 2yus h LEU 27 Ca 0.40 -0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.64 2yus h LEU 27 Cb 0.64 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 2yus h LEU 27 CO -0.93 -0.47 0.24 0.18 0.09 0.00 0.00 178.44 177.54 2yus n LEU 28 N -5.44 0.11 0.33 1.67 4.77 -0.41 0.58 117.00 118.61 2yus n LEU 28 Ca -0.13 1.32 -0.18 0.00 -0.03 0.00 0.00 56.01 56.99 2yus n LEU 28 Cb 0.38 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 2yus n LEU 28 CO 0.35 -1.41 0.60 0.25 -1.33 0.00 0.00 177.39 175.85 2yus h LEU 29 N 0.00 -1.01 -0.14 2.23 5.85 -1.22 -2.89 115.31 118.14 2yus h LEU 29 Ca 0.58 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.40 2yus h LEU 29 Cb 1.41 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 42.68 2yus h LEU 29 CO -0.67 -0.60 -0.48 -0.07 -0.34 0.00 0.00 178.44 176.29 2yus h LEU 30 N -0.94 -1.51 -0.86 2.25 -0.00 0.14 0.20 115.31 114.59 2yus h LEU 30 Ca -0.07 0.19 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 2yus h LEU 30 Cb 0.77 0.60 -0.11 0.00 -0.00 0.00 0.00 40.66 41.92 2yus h LEU 30 CO 0.05 -0.45 -0.46 1.21 -0.00 0.00 0.00 178.44 178.79 2yus n GLU 31 N -5.44 -0.32 -0.08 1.13 4.07 -0.85 -0.10 120.64 119.05 2yus n GLU 31 Ca -0.05 1.31 -0.11 0.00 -0.06 0.00 0.00 57.16 58.25 2yus n GLU 31 Cb 0.37 -1.93 -0.04 0.00 -0.06 0.00 0.00 31.44 29.79 2yus n GLU 31 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2yus h ALA 32 N 0.66 0.31 0.00 4.31 0.00 -1.20 -2.40 119.26 120.94 2yus h ALA 32 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2yus h ALA 32 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2yus h ALA 32 CO -0.82 -0.04 0.57 -0.07 0.00 0.00 0.00 179.25 178.89 2yus h LEU 33 N 0.21 0.00 0.16 0.00 3.38 0.27 1.14 115.31 120.46 2yus h LEU 33 Ca 0.08 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.71 2yus h LEU 33 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2yus h LEU 33 CO -0.00 0.00 -1.68 -0.33 0.09 0.00 0.00 178.44 176.52 2yus h GLU 34 N 0.00 0.34 0.00 1.13 5.08 -0.69 -3.08 114.58 117.35 2yus h GLU 34 Ca 0.00 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.73 2yus h GLU 34 Cb 1.14 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2yus h GLU 34 CO 0.00 1.27 -0.73 -1.33 -1.00 0.00 0.00 179.01 177.22 2yus n MET 35 N -3.69 0.48 -0.90 2.33 2.81 0.18 -4.36 117.12 113.96 2yus n MET 35 Ca -0.26 0.51 -0.19 0.00 -1.81 0.00 0.00 57.70 55.96 2yus n MET 35 Cb 1.02 -1.68 0.10 0.00 -0.71 0.00 0.00 33.22 31.95 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 -4.56 2.12 -0.22 2.03 4.01 0.34 -4.71 117.16 116.16 2yus n TYR 36 Ca -0.13 -1.71 -0.06 0.00 -0.16 0.00 0.00 57.90 55.84 2yus n TYR 36 Cb 0.38 -0.85 -0.05 0.00 -0.31 0.00 0.00 39.34 38.50 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 -0.47 -0.23 -0.04 -0.72 4.81 -1.13 -1.87 118.16 118.51 2yus n LYS 37 Ca 0.41 1.04 -0.15 0.00 -0.87 0.00 0.00 58.31 58.74 2yus n LYS 37 Cb 1.09 -1.54 -0.13 0.00 0.02 0.00 0.00 35.03 34.47 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 0.11 -0.07 3.14 2.03 -1.86 -3.40 116.42 116.38 2yus h ASP 38 Ca 0.09 -0.91 -0.31 0.00 -0.73 0.00 0.00 57.03 55.16 2yus h ASP 38 Cb 0.22 -0.04 0.06 0.00 -0.83 0.00 0.00 39.33 38.74 2yus h ASP 38 CO -0.50 1.01 0.81 0.47 -1.03 0.00 0.00 179.24 180.01 2yus n ASP 39 N -4.54 1.43 0.06 4.15 8.00 -0.78 -4.65 116.55 120.22 2yus n ASP 39 Ca -0.10 -2.53 0.06 0.00 0.71 0.00 0.00 54.79 52.93 2yus n ASP 39 Cb 0.52 -1.19 0.49 0.00 -0.02 0.00 0.00 41.12 40.91 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 10.56 0.38 -0.90 1.24 4.06 -1.78 -2.84 115.95 126.68 2yus h TRP 40 Ca 0.15 0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.26 2yus h TRP 40 Cb 0.85 -0.13 -0.15 0.00 -1.00 0.00 0.00 29.16 28.73 2yus h TRP 40 CO 1.04 0.23 -0.38 -2.95 -3.56 0.00 0.00 178.44 172.82 2yus h ASN 41 N 0.40 -1.38 0.26 -3.49 -1.07 -1.90 0.23 115.58 108.63 2yus h ASN 41 Ca 0.13 0.29 -0.20 0.00 0.07 0.00 0.00 56.30 56.58 2yus h ASN 41 Cb 0.02 0.72 -0.00 0.00 -2.07 0.00 0.00 38.32 36.98 2yus h ASN 41 CO -0.03 -0.29 -0.82 0.11 0.07 0.00 0.00 177.43 176.47 2yus h LYS 42 N -0.04 0.43 -0.72 4.14 1.79 -1.86 -3.14 116.57 117.17 2yus h LYS 42 Ca 0.32 -0.40 0.21 0.00 -2.18 0.00 0.00 60.65 58.59 2yus h LYS 42 Cb 0.58 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2yus h LYS 42 CO -0.91 1.05 0.66 0.28 -1.08 0.00 0.00 179.45 179.45 2yus h VAL 43 N 0.27 0.35 0.00 0.50 2.07 -0.39 0.24 116.25 119.29 2yus h VAL 43 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2yus h VAL 43 Cb 1.43 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2yus h VAL 43 CO 0.14 0.00 -0.00 -1.28 0.02 0.00 0.00 177.57 176.45 2yus h SER 44 N 0.00 -0.00 -0.65 0.57 0.87 -1.25 -3.27 113.55 109.81 2yus h SER 44 Ca 0.34 -0.92 -0.04 0.00 -1.23 0.00 0.00 61.79 59.94 2yus h SER 44 Cb 1.66 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.59 2yus h SER 44 CO -0.00 0.93 0.27 1.05 -0.53 0.00 0.00 176.83 178.55 2yus h GLU 45 N -0.95 1.00 -0.70 2.24 4.11 -1.16 -2.70 114.58 116.42 2yus h GLU 45 Ca -0.00 -0.17 0.12 0.00 0.07 0.00 0.00 59.36 59.38 2yus h GLU 45 Cb 0.92 -0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.92 2yus h GLU 45 CO 0.00 0.82 0.28 1.25 0.07 0.00 0.00 179.01 181.43 2yus h HIS 46 N 0.98 0.49 0.60 2.06 2.76 -0.74 -2.92 115.15 118.38 2yus h HIS 46 Ca 0.23 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2yus h HIS 46 Cb 0.19 -0.11 0.01 0.00 1.55 0.00 0.00 27.41 29.05 2yus h HIS 46 CO 0.02 0.10 -0.29 0.28 -1.30 0.00 0.00 177.93 176.73 2yus h VAL 47 N 0.45 0.00 0.00 5.26 2.07 -1.53 -3.48 116.25 119.02 2yus h VAL 47 Ca 0.37 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2yus h VAL 47 Cb 0.51 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2yus h VAL 47 CO -0.36 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.84 2yus n GLY 48 N -0.76 1.64 2.82 2.17 0.00 -1.11 -4.91 105.19 105.04 2yus n GLY 48 Ca -0.10 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2yus n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yus n SER 49 N 0.00 6.99 -3.79 1.61 7.64 -1.26 -4.88 113.62 119.93 2yus n SER 49 Ca 0.00 -3.80 -0.15 0.00 1.01 0.00 0.00 58.87 55.93 2yus n SER 49 Cb 0.00 -0.97 -0.08 0.00 -1.01 0.00 0.00 64.21 62.14 2yus n SER 49 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yus s ARG 50 N -4.01 1.49 0.38 1.43 1.81 -1.26 -5.14 118.95 113.65 2yus s ARG 50 Ca 0.50 -1.75 0.04 0.00 -1.72 0.00 0.00 55.73 52.79 2yus s ARG 50 Cb 0.40 0.32 -0.05 0.00 -0.45 0.00 0.00 34.95 35.17 2yus s ARG 50 CO -0.34 -0.54 0.06 0.95 -0.68 0.00 0.00 175.30 174.75 2yus s THR 51 N -3.79 1.20 0.14 0.02 -4.23 -1.26 -4.68 115.64 103.05 2yus s THR 51 Ca 0.38 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.70 2yus s THR 51 Cb 0.04 -2.66 0.01 0.00 1.34 0.00 0.00 72.50 71.23 2yus s THR 51 CO 0.18 0.00 1.71 1.56 -0.54 0.00 0.00 174.62 177.53 2yus h GLN 52 N 1.90 0.06 0.71 3.99 7.50 -1.90 -0.73 115.11 126.64 2yus h GLN 52 Ca -0.41 -0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.71 2yus h GLN 52 Cb 1.26 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.78 2yus h GLN 52 CO 0.69 0.04 -0.34 -0.44 -1.50 0.00 0.00 178.83 177.29 2yus h ASP 53 N 0.07 -0.80 -0.91 1.46 3.32 -1.97 -2.68 116.42 114.90 2yus h ASP 53 Ca 0.14 0.03 0.21 0.00 0.02 0.00 0.00 57.03 57.43 2yus h ASP 53 Cb 0.19 0.21 -0.17 0.00 0.22 0.00 0.00 39.33 39.78 2yus h ASP 53 CO -0.25 -0.48 -0.10 -0.33 -1.72 0.00 0.00 179.24 176.37 2yus h GLU 54 N -1.15 0.02 -0.19 3.56 3.07 -1.95 0.29 114.58 118.23 2yus h GLU 54 Ca -0.10 -0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.80 2yus h GLU 54 Cb 0.73 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.59 2yus h GLU 54 CO 0.16 0.02 -0.08 0.00 -1.40 0.00 0.00 179.01 177.70 2yus h ILE 56 N -0.05 0.86 0.62 0.00 2.04 -0.14 -0.64 117.51 120.20 2yus h ILE 56 Ca 0.10 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2yus h ILE 56 Cb 0.21 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2yus h ILE 56 CO -0.23 0.05 -0.40 -0.07 0.00 0.00 0.00 178.15 177.50 2yus h LEU 57 N 0.27 -1.01 -0.95 1.44 3.38 -0.71 -1.46 115.31 116.28 2yus h LEU 57 Ca 0.18 0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.44 2yus h LEU 57 Cb 0.17 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 41.10 2yus h LEU 57 CO -0.20 -0.60 0.49 -0.74 0.09 0.00 0.00 178.44 177.48 2yus h HIS 58 N -0.96 0.83 0.84 1.13 2.76 -1.03 -1.77 115.15 116.94 2yus h HIS 58 Ca -0.08 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 2yus h HIS 58 Cb 0.77 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2yus h HIS 58 CO -0.07 0.01 -0.48 0.35 -1.30 0.00 0.00 177.93 176.43 2yus h PHE 59 N 0.49 -1.28 -1.00 5.26 3.57 -0.78 -2.58 116.94 120.61 2yus h PHE 59 Ca 0.60 -0.02 0.36 0.00 3.53 0.00 0.00 57.97 62.44 2yus h PHE 59 Cb 1.14 0.45 -0.16 0.00 2.79 0.00 0.00 35.95 40.17 2yus h PHE 59 CO -0.07 -0.74 0.55 -0.07 -2.23 0.00 0.00 178.31 175.75 2yus h LEU 60 N -1.23 0.43 0.63 0.59 3.38 -0.39 0.04 115.31 118.76 2yus h LEU 60 Ca -0.11 0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2yus h LEU 60 Cb 0.97 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2yus h LEU 60 CO 0.14 -0.25 -0.49 0.03 0.09 0.00 0.00 178.44 177.96 2yus h ARG 61 N 0.20 -1.04 -5.97 1.13 2.47 -1.09 -3.44 114.38 106.63 2yus h ARG 61 Ca 0.78 0.07 -0.62 0.00 -1.26 0.00 0.00 59.98 58.94 2yus h ARG 61 Cb 1.89 0.24 0.15 0.00 -1.65 0.00 0.00 29.97 30.60 2yus h ARG 61 CO -0.67 -0.69 -0.91 1.28 0.56 0.00 0.00 179.97 179.54 2yus n LEU 62 N -5.46 -2.71 -4.56 3.04 4.77 -0.00 -4.71 117.00 107.36 2yus n LEU 62 Ca -0.13 0.84 -0.27 0.00 -0.03 0.00 0.00 56.01 56.42 2yus n LEU 62 Cb 0.47 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2yus n LEU 62 CO 0.30 -4.07 1.36 -2.16 -1.33 0.00 0.00 177.39 171.48 2yus s PRO 63 N -1.00 2.55 -0.21 3.23 0.04 -1.26 -4.68 135.00 133.67 2yus s PRO 63 Ca 0.59 -0.37 0.13 0.00 0.04 0.00 0.00 61.00 61.40 2yus s PRO 63 Cb -0.66 -5.08 -0.23 0.00 0.04 0.00 0.00 34.50 28.57 2yus s PRO 63 CO 0.62 -3.43 -0.00 1.51 0.04 0.00 0.00 177.00 175.73 2yus n ILE 64 N 7.87 1.43 -2.20 0.56 0.13 -1.26 -4.95 119.36 120.94 2yus n ILE 64 Ca 0.41 -0.77 -0.41 0.00 -1.10 0.00 0.00 62.75 60.88 2yus n ILE 64 Cb 0.47 -0.78 -0.03 0.00 -0.84 0.00 0.00 39.64 38.47 2yus n ILE 64 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 2yus s GLU 65 N -2.50 4.40 0.02 9.51 1.03 -1.26 -4.91 118.70 124.99 2yus s GLU 65 Ca -0.17 2.10 0.04 0.00 0.03 0.00 0.00 54.97 56.97 2yus s GLU 65 Cb 0.07 -3.14 -0.02 0.00 -0.80 0.00 0.00 34.13 30.24 2yus s GLU 65 CO 0.76 -0.18 -0.12 -0.51 -1.33 0.00 0.00 175.26 173.88 2yus s ASP 66 N -0.13 1.43 0.15 0.83 1.01 -1.26 -5.05 116.67 113.64 2yus s ASP 66 Ca 0.52 -0.37 -0.09 0.00 0.71 0.00 0.00 52.55 53.32 2yus s ASP 66 Cb -0.38 -0.10 -0.01 0.00 1.01 0.00 0.00 42.92 43.45 2yus s ASP 66 CO 0.45 0.04 1.49 1.55 0.21 0.00 0.00 175.17 178.91 2yus h PRO 67 N 5.23 0.89 0.00 8.23 0.13 -2.02 -3.42 132.00 141.04 2yus h PRO 67 Ca -0.36 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2yus h PRO 67 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2yus h PRO 67 CO 0.45 1.12 0.00 0.66 -0.23 0.00 0.00 178.00 180.00 2yus n TYR 68 N -4.05 -0.31 -2.35 1.56 4.01 -1.26 -4.91 117.16 109.85 2yus n TYR 68 Ca -0.02 0.06 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 2yus n TYR 68 Cb 0.55 0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.62 2yus n TYR 68 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2yus s LEU 69 N -6.91 3.45 0.10 7.72 2.01 -1.26 -4.92 118.68 118.87 2yus s LEU 69 Ca 0.00 -1.86 0.09 0.00 0.01 0.00 0.00 54.13 52.37 2yus s LEU 69 Cb 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 46.19 43.59 2yus s LEU 69 CO 0.00 -2.04 -0.23 -1.83 1.01 0.00 0.00 176.35 173.26 2yus s GLU 70 N 5.39 1.29 -0.69 1.70 4.04 -1.26 -4.53 118.70 124.64 2yus s GLU 70 Ca 0.60 -1.19 -0.26 0.00 0.04 0.00 0.00 54.97 54.15 2yus s GLU 70 Cb 0.01 -1.61 -0.01 0.00 0.02 0.00 0.00 34.13 32.54 2yus s GLU 70 CO 0.06 0.38 1.75 -0.80 -1.84 0.00 0.00 175.26 174.82 2yus s ASN 71 N -1.82 5.47 0.01 0.83 0.01 -1.26 -4.86 114.94 113.32 2yus s ASN 71 Ca 0.09 -0.02 -0.26 0.00 -0.71 0.00 0.00 52.86 51.96 2yus s ASN 71 Cb -0.10 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.87 2yus s ASN 71 CO 0.04 -2.29 1.11 -1.28 -1.51 0.00 0.00 177.10 173.17 2yus h SER 72 N 13.34 -0.73 -5.01 -1.22 0.87 -1.97 -3.47 113.55 115.36 2yus h SER 72 Ca -0.20 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 2yus h SER 72 Cb 1.11 0.19 -0.17 0.00 -0.44 0.00 0.00 62.40 63.10 2yus h SER 72 CO 1.24 -0.35 0.13 -0.62 -0.53 0.00 0.00 176.83 176.70 2yus s ASP 73 N -4.57 -0.56 -0.12 6.23 -1.08 -1.26 -5.08 116.67 110.23 2yus s ASP 73 Ca -0.14 0.38 -0.21 0.00 -0.52 0.00 0.00 52.55 52.06 2yus s ASP 73 Cb 0.02 0.53 -0.19 0.00 -1.46 0.00 0.00 42.92 41.82 2yus s ASP 73 CO 0.44 -0.71 0.61 -1.28 0.52 0.00 0.00 175.17 174.74 2yus h SER 74 N 2.75 -0.01 -0.51 -0.34 0.87 -2.03 -3.50 113.55 110.78 2yus h SER 74 Ca -0.30 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2yus h SER 74 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2yus h SER 74 CO 0.39 0.82 0.00 0.61 -0.53 0.00 0.00 176.83 178.12 2yus n GLY 75 N 1.54 0.13 0.26 5.77 0.00 -1.26 -5.02 105.19 106.60 2yus n GLY 75 Ca -0.07 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2yus n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yus h PRO 76 N 0.00 0.89 -3.73 1.61 0.13 -2.07 -3.37 132.00 125.47 2yus h PRO 76 Ca 0.00 -0.47 -0.79 0.00 -0.87 0.00 0.00 66.00 63.87 2yus h PRO 76 Cb 0.00 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 30.88 2yus h PRO 76 CO 0.00 1.12 0.36 -1.12 -0.23 0.00 0.00 178.00 178.13 2yus s SER 77 N -6.84 7.11 -0.29 1.44 0.01 -1.26 -4.95 113.70 108.92 2yus s SER 77 Ca -0.10 -3.23 -0.15 0.00 1.31 0.00 0.00 55.95 53.78 2yus s SER 77 Cb 0.11 -2.22 0.13 0.00 0.21 0.00 0.00 66.02 64.26 2yus s SER 77 CO 0.87 -0.42 0.87 -0.94 0.41 0.00 0.00 173.24 174.04 2yus s SER 78 N 1.71 -0.70 0.00 2.44 1.04 -1.26 -5.25 113.70 111.67 2yus s SER 78 Ca 0.27 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2yus s SER 78 Cb -0.10 1.49 0.00 0.00 0.10 0.00 0.00 66.02 67.51 2yus s SER 78 CO -0.08 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.59