#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 4.48 0.20 1.61 1.04 -1.26 -5.14 113.70 114.63 2yus s SER 2 Ca 0.00 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 2yus s SER 2 Cb 0.00 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.22 2yus s SER 2 CO 0.00 0.15 0.24 -0.44 0.98 0.00 0.00 173.24 174.17 2yus s SER 3 N -2.44 0.08 0.00 7.02 0.01 -1.26 -5.14 113.70 111.98 2yus s SER 3 Ca 0.23 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2yus s SER 3 Cb -0.10 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.56 2yus s SER 3 CO 0.15 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2yus n GLY 4 N -0.28 1.68 3.13 3.44 0.00 -1.26 -5.00 105.19 106.91 2yus n GLY 4 Ca -0.01 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.27 4.84 -0.02 1.61 0.15 -1.26 -5.07 113.70 113.69 2yus s SER 5 Ca 0.00 -1.49 -0.30 0.00 0.70 0.00 0.00 55.95 54.87 2yus s SER 5 Cb 0.00 -1.69 0.10 0.00 -1.71 0.00 0.00 66.02 62.73 2yus s SER 5 CO 0.00 -0.30 1.01 -0.94 1.20 0.00 0.00 173.24 174.21 2yus s SER 6 N 1.27 -0.25 -0.03 5.45 1.04 -1.26 -5.17 113.70 114.74 2yus s SER 6 Ca -0.03 -0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.33 2yus s SER 6 Cb -0.20 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2yus s SER 6 CO -0.03 -0.56 -0.03 -0.83 0.98 0.00 0.00 173.24 172.77 2yus s GLY 7 N -2.55 0.34 0.09 7.32 0.00 -1.26 -5.08 107.32 106.18 2yus s GLY 7 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 2yus s GLY 7 CO -0.05 0.35 0.13 -1.08 0.00 0.00 0.00 173.10 172.44 2yus s THR 8 N 0.72 0.15 0.13 0.90 -1.32 -1.26 -5.11 115.64 109.85 2yus s THR 8 Ca -0.09 -1.43 -0.33 0.00 -1.21 0.00 0.00 61.69 58.63 2yus s THR 8 Cb -0.12 -1.49 -0.18 0.00 -1.51 0.00 0.00 72.50 69.20 2yus s THR 8 CO -0.00 -0.70 0.86 0.18 -2.21 0.00 0.00 174.62 172.75 2yus n LEU 9 N -0.03 -0.11 -3.75 9.08 4.32 -1.26 -4.97 117.00 120.28 2yus n LEU 9 Ca -0.13 1.14 -0.13 0.00 -0.02 0.00 0.00 56.01 56.87 2yus n LEU 9 Cb 0.62 -1.01 -0.10 0.00 -1.62 0.00 0.00 43.42 41.31 2yus n LEU 9 CO 0.25 -2.20 0.04 0.00 -1.22 0.00 0.00 177.39 174.26 2yus s ALA 10 N -0.50 -0.91 -0.26 -1.18 0.00 -1.26 -4.91 121.76 112.75 2yus s ALA 10 Ca 0.75 0.97 -0.35 0.00 0.00 0.00 0.00 51.96 53.33 2yus s ALA 10 Cb -1.02 -0.53 -0.12 0.00 0.00 0.00 0.00 23.12 21.46 2yus s ALA 10 CO 0.56 -0.19 2.03 1.17 0.00 0.00 0.00 175.76 179.34 2yus n LYS 11 N 2.69 1.47 -0.10 0.00 0.00 -1.26 -4.83 118.16 116.13 2yus n LYS 11 Ca -0.14 0.47 -0.21 0.00 0.00 0.00 0.00 58.31 58.43 2yus n LYS 11 Cb 0.57 -2.52 -0.07 0.00 0.00 0.00 0.00 35.03 33.01 2yus n LYS 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2yus n SER 12 N 8.39 1.56 -4.40 3.14 2.88 -1.26 -5.01 113.62 118.92 2yus n SER 12 Ca 0.33 0.27 -0.40 0.00 -1.33 0.00 0.00 58.87 57.73 2yus n SER 12 Cb 0.25 -0.64 0.02 0.00 -0.75 0.00 0.00 64.21 63.08 2yus n SER 12 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yus n LYS 13 N -4.01 0.38 -0.80 -1.46 4.01 -1.26 -4.32 118.16 110.69 2yus n LYS 13 Ca -0.39 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 2yus n LYS 13 Cb 0.75 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 2yus n LYS 13 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2yus n GLY 14 N 1.98 0.57 3.08 0.72 0.00 -1.26 -5.05 105.19 105.23 2yus n GLY 14 Ca 0.11 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.54 4.14 -0.61 4.61 0.00 -1.26 -4.89 121.76 121.21 2yus s ALA 15 Ca 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 51.96 48.16 2yus s ALA 15 Cb 0.00 -2.73 0.45 0.00 0.00 0.00 0.00 23.12 20.84 2yus s ALA 15 CO 0.00 -2.14 1.90 0.43 0.00 0.00 0.00 175.76 175.95 2yus n SER 16 N 2.37 7.26 -3.68 0.00 7.64 -1.26 -4.89 113.62 121.06 2yus n SER 16 Ca 0.20 -3.78 -0.12 0.00 1.01 0.00 0.00 58.87 56.17 2yus n SER 16 Cb 0.37 -0.88 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 2yus n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yus s ALA 17 N -3.80 -0.66 0.00 -0.43 0.00 -1.26 -5.08 121.76 110.53 2yus s ALA 17 Ca 0.62 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.64 2yus s ALA 17 Cb 0.49 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2yus s ALA 17 CO -0.01 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2yus n GLY 18 N 5.02 -3.56 2.47 0.00 0.00 -1.26 -4.89 105.19 102.98 2yus n GLY 18 Ca -0.12 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 2yus n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yus n ARG 19 N -0.03 2.85 -0.00 1.61 0.63 -1.26 -4.34 116.66 116.12 2yus n ARG 19 Ca 0.00 -3.52 0.05 0.00 -0.92 0.00 0.00 57.85 53.46 2yus n ARG 19 Cb 0.00 -2.28 -0.06 0.00 0.45 0.00 0.00 32.46 30.57 2yus n ARG 19 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2yus n GLU 20 N -0.76 3.40 -3.77 -0.14 1.02 -1.26 -4.98 120.64 114.15 2yus n GLU 20 Ca 0.57 -0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.57 2yus n GLU 20 Cb 0.57 -0.99 -0.14 0.00 -0.02 0.00 0.00 31.44 30.86 2yus n GLU 20 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2yus s TRP 21 N -2.01 -0.16 0.03 -0.32 0.52 -1.26 -5.09 118.94 110.66 2yus s TRP 21 Ca 0.03 0.45 -0.06 0.00 0.02 0.00 0.00 56.10 56.53 2yus s TRP 21 Cb 0.07 -0.05 -0.05 0.00 -1.15 0.00 0.00 33.47 32.29 2yus s TRP 21 CO 0.40 -0.14 0.29 -0.08 0.02 0.00 0.00 176.95 177.45 2yus s THR 22 N 0.92 5.26 0.34 2.01 -1.32 -1.26 -4.84 115.64 116.75 2yus s THR 22 Ca -0.07 0.16 0.23 0.00 -1.21 0.00 0.00 61.69 60.80 2yus s THR 22 Cb -0.09 -3.59 0.36 0.00 -1.51 0.00 0.00 72.50 67.67 2yus s THR 22 CO -0.05 0.31 1.34 1.21 -2.21 0.00 0.00 174.62 175.22 2yus n GLU 23 N 0.94 -0.04 0.42 7.08 2.13 -1.26 0.38 120.64 130.28 2yus n GLU 23 Ca -0.10 1.13 -0.18 0.00 0.66 0.00 0.00 57.16 58.67 2yus n GLU 23 Cb 0.53 -2.11 -0.09 0.00 0.27 0.00 0.00 31.44 30.03 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 -1.02 -0.05 5.31 4.15 -2.00 -2.52 115.11 118.97 2yus h GLN 24 Ca 0.74 0.07 -0.00 0.00 0.77 0.00 0.00 58.65 60.23 2yus h GLN 24 Cb 2.16 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 30.08 2yus h GLN 24 CO -0.53 -0.67 0.02 0.93 -1.93 0.00 0.00 178.83 176.65 2yus h GLU 25 N -1.15 0.07 -0.86 1.69 4.39 -0.46 -2.61 114.58 115.65 2yus h GLU 25 Ca -0.11 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.76 2yus h GLU 25 Cb 0.82 -0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.30 2yus h GLU 25 CO 0.18 0.19 -0.19 1.15 -1.16 0.00 0.00 179.01 179.18 2yus h THR 26 N -0.07 0.15 0.43 1.13 2.02 -0.67 -0.60 112.91 115.31 2yus h THR 26 Ca 0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2yus h THR 26 Cb 0.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 2yus h THR 26 CO -0.00 0.00 -0.21 -0.07 0.37 0.00 0.00 175.52 175.61 2yus h LEU 27 N 0.01 -0.49 -0.96 2.58 3.38 -1.33 -2.89 115.31 115.61 2yus h LEU 27 Ca 0.42 -0.06 0.39 0.00 0.09 0.00 0.00 57.88 58.72 2yus h LEU 27 Cb 0.67 0.13 -0.16 0.00 0.09 0.00 0.00 40.66 41.39 2yus h LEU 27 CO -0.87 -0.23 0.54 0.18 0.09 0.00 0.00 178.44 178.15 2yus n LEU 28 N -5.28 0.30 0.18 1.67 4.77 -0.28 0.86 117.00 119.22 2yus n LEU 28 Ca -0.11 1.46 -0.14 0.00 -0.03 0.00 0.00 56.01 57.19 2yus n LEU 28 Cb 0.28 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2yus n LEU 28 CO 0.34 -1.63 0.76 0.25 -1.33 0.00 0.00 177.39 175.78 2yus h LEU 29 N 0.00 -0.32 -0.20 2.23 5.85 -1.20 -2.72 115.31 118.94 2yus h LEU 29 Ca 0.77 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.53 2yus h LEU 29 Cb 2.12 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 43.19 2yus h LEU 29 CO -0.65 -0.21 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.07 2yus h LEU 30 N -0.41 -0.35 -0.55 2.25 -0.00 0.45 0.11 115.31 116.81 2yus h LEU 30 Ca -0.04 0.08 0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2yus h LEU 30 Cb 0.31 0.19 -0.10 0.00 -0.00 0.00 0.00 40.66 41.06 2yus h LEU 30 CO 0.06 -0.14 -0.41 -0.08 -0.00 0.00 0.00 178.44 177.88 2yus h GLU 31 N -0.09 -0.22 -0.50 1.13 4.81 -1.27 -0.67 114.58 117.78 2yus h GLU 31 Ca 0.11 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2yus h GLU 31 Cb 0.25 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2yus h GLU 31 CO -0.26 -0.15 0.15 0.00 -0.73 0.00 0.00 179.01 178.03 2yus h ALA 32 N 0.69 0.65 -0.24 2.92 0.00 -1.15 -2.42 119.26 119.71 2yus h ALA 32 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2yus h ALA 32 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2yus h ALA 32 CO -0.66 0.31 0.72 -0.07 0.00 0.00 0.00 179.25 179.55 2yus h LEU 33 N 0.68 0.00 0.18 0.00 3.38 0.78 2.04 115.31 122.36 2yus h LEU 33 Ca 0.16 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.78 2yus h LEU 33 Cb 0.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2yus h LEU 33 CO -0.00 0.00 -1.76 -0.33 0.09 0.00 0.00 178.44 176.43 2yus h GLU 34 N 0.00 0.39 0.00 1.13 5.08 -1.02 -3.19 114.58 116.97 2yus h GLU 34 Ca 0.11 -0.66 -0.12 0.00 -1.00 0.00 0.00 59.36 57.69 2yus h GLU 34 Cb 1.55 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 31.03 2yus h GLU 34 CO -0.00 1.31 -1.31 -1.33 -1.00 0.00 0.00 179.01 176.68 2yus n MET 35 N -3.58 0.53 -0.59 2.33 2.81 0.25 -4.47 117.12 114.40 2yus n MET 35 Ca -0.25 0.29 -0.12 0.00 -1.81 0.00 0.00 57.70 55.81 2yus n MET 35 Cb 1.07 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 32.17 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 -4.43 1.48 0.00 2.03 4.01 0.62 -4.70 117.16 116.16 2yus n TYR 36 Ca -0.24 -1.16 0.00 0.00 -0.16 0.00 0.00 57.90 56.35 2yus n TYR 36 Cb 0.58 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.28 0.00 -0.01 -0.72 4.81 -0.94 -2.41 118.16 118.61 2yus n LYS 37 Ca 0.29 0.63 -0.17 0.00 -0.87 0.00 0.00 58.31 58.19 2yus n LYS 37 Cb 1.06 -1.02 -0.11 0.00 0.02 0.00 0.00 35.03 34.98 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 0.50 -0.07 3.14 2.03 -1.86 -3.40 116.42 116.75 2yus h ASP 38 Ca 0.00 -0.74 -0.07 0.00 -0.73 0.00 0.00 57.03 55.49 2yus h ASP 38 Cb 0.00 -0.15 0.02 0.00 -0.83 0.00 0.00 39.33 38.37 2yus h ASP 38 CO 0.00 1.17 0.20 0.47 -1.03 0.00 0.00 179.24 180.04 2yus n ASP 39 N -4.27 1.18 0.09 4.15 9.92 -1.01 -4.66 116.55 121.95 2yus n ASP 39 Ca -0.10 -2.45 0.02 0.00 -0.53 0.00 0.00 54.79 51.73 2yus n ASP 39 Cb 0.63 -1.55 0.38 0.00 -0.64 0.00 0.00 41.12 39.94 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 11.40 0.33 -0.78 1.24 4.06 -1.78 -2.79 115.95 127.63 2yus h TRP 40 Ca 0.03 -0.03 0.18 0.00 2.06 0.00 0.00 58.89 61.13 2yus h TRP 40 Cb 0.96 -0.10 -0.12 0.00 -1.00 0.00 0.00 29.16 28.91 2yus h TRP 40 CO 1.02 0.40 0.21 -0.91 -3.56 0.00 0.00 178.44 175.59 2yus h ASN 41 N 0.31 0.04 -0.01 -3.49 2.35 -1.91 -1.74 115.58 111.12 2yus h ASN 41 Ca 0.07 0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 2yus h ASN 41 Cb 0.33 0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2yus h ASN 41 CO 0.02 -0.05 -0.21 0.11 -1.65 0.00 0.00 177.43 175.64 2yus h LYS 42 N 0.27 0.17 -1.27 0.81 6.56 -1.85 -3.25 116.57 118.00 2yus h LYS 42 Ca 0.46 -0.16 0.43 0.00 -1.06 0.00 0.00 60.65 60.31 2yus h LYS 42 Cb 0.82 0.04 -0.12 0.00 -0.57 0.00 0.00 32.23 32.40 2yus h LYS 42 CO -0.54 0.88 0.83 0.28 -2.06 0.00 0.00 179.45 178.84 2yus n VAL 43 N -4.54 -0.20 0.00 0.50 0.31 -0.68 0.12 118.33 113.84 2yus n VAL 43 Ca -0.09 1.55 -0.13 0.00 -0.01 0.00 0.00 64.34 65.66 2yus n VAL 43 Cb 0.47 -2.54 -0.10 0.00 -0.91 0.00 0.00 33.84 30.77 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 -0.05 -0.32 4.52 4.64 -1.52 -3.00 113.55 117.83 2yus h SER 44 Ca 0.78 -0.49 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 2yus h SER 44 Cb 2.58 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 64.67 2yus h SER 44 CO -0.36 0.48 0.04 1.05 -0.87 0.00 0.00 176.83 177.17 2yus h GLU 45 N -0.59 0.63 -0.77 4.77 4.11 0.79 -2.46 114.58 121.07 2yus h GLU 45 Ca -0.01 -0.13 0.05 0.00 0.07 0.00 0.00 59.36 59.34 2yus h GLU 45 Cb 0.53 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2yus h GLU 45 CO 0.01 0.62 0.47 1.25 0.07 0.00 0.00 179.01 181.43 2yus h HIS 46 N 0.61 0.87 0.15 2.06 2.76 -0.60 -3.23 115.15 117.77 2yus h HIS 46 Ca 0.13 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2yus h HIS 46 Cb 0.32 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2yus h HIS 46 CO 0.01 0.46 -0.07 0.28 -1.30 0.00 0.00 177.93 177.31 2yus h VAL 47 N 0.88 0.00 0.00 5.26 2.07 -1.33 -3.50 116.25 119.63 2yus h VAL 47 Ca 0.33 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2yus h VAL 47 Cb 0.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2yus h VAL 47 CO -0.15 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.05 2yus n GLY 48 N 0.41 2.13 2.32 2.17 0.00 -0.96 -4.88 105.19 106.39 2yus n GLY 48 Ca -0.03 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 7.52 -3.82 1.61 7.64 -1.26 -4.92 113.62 120.39 2yus n SER 49 Ca 0.00 -3.79 -0.12 0.00 1.01 0.00 0.00 58.87 55.97 2yus n SER 49 Cb 0.00 -0.94 -0.11 0.00 -1.01 0.00 0.00 64.21 62.16 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 -3.82 0.39 0.47 1.43 1.81 -1.26 -5.13 118.95 112.85 2yus s ARG 50 Ca 0.64 0.00 0.08 0.00 -1.72 0.00 0.00 55.73 54.74 2yus s ARG 50 Cb 0.50 0.18 0.03 0.00 -0.45 0.00 0.00 34.95 35.21 2yus s ARG 50 CO -0.01 -0.08 0.61 -0.08 -0.68 0.00 0.00 175.30 175.05 2yus s THR 51 N -0.58 2.61 0.05 0.02 -1.32 -1.26 -4.55 115.64 110.60 2yus s THR 51 Ca -0.07 -1.07 -0.14 0.00 -1.21 0.00 0.00 61.69 59.20 2yus s THR 51 Cb -0.04 -2.69 -0.05 0.00 -1.51 0.00 0.00 72.50 68.21 2yus s THR 51 CO 0.01 0.00 1.23 1.56 -2.21 0.00 0.00 174.62 175.21 2yus h GLN 52 N 0.55 -0.23 -0.15 7.08 4.20 -1.92 -1.13 115.11 123.51 2yus h GLN 52 Ca -0.37 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.37 2yus h GLN 52 Cb 1.28 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 2yus h GLN 52 CO 0.46 -0.15 -0.13 0.22 -0.67 0.00 0.00 178.83 178.56 2yus h ASP 53 N -0.24 -0.46 -0.88 1.46 3.58 -1.96 0.74 116.42 118.67 2yus h ASP 53 Ca 0.01 0.06 0.12 0.00 0.42 0.00 0.00 57.03 57.65 2yus h ASP 53 Cb 0.28 0.19 -0.13 0.00 1.72 0.00 0.00 39.33 41.39 2yus h ASP 53 CO -0.19 -0.08 -0.39 -0.62 -2.88 0.00 0.00 179.24 175.09 2yus n GLU 54 N -3.40 -0.25 -0.16 0.28 1.02 -1.14 0.81 120.64 117.80 2yus n GLU 54 Ca -0.00 1.35 -0.03 0.00 -0.02 0.00 0.00 57.16 58.46 2yus n GLU 54 Cb 0.07 -2.00 0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2yus n GLU 54 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yus h ILE 56 N 0.35 0.98 0.55 0.00 2.04 0.27 -1.86 117.51 119.84 2yus h ILE 56 Ca 0.24 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 2yus h ILE 56 Cb 0.26 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2yus h ILE 56 CO -0.25 0.10 -0.27 -0.07 0.00 0.00 0.00 178.15 177.67 2yus h LEU 57 N 0.56 -0.63 -1.15 1.44 3.38 -0.16 -1.84 115.31 116.92 2yus h LEU 57 Ca 0.24 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.61 2yus h LEU 57 Cb 0.12 0.16 -0.15 0.00 0.09 0.00 0.00 40.66 40.88 2yus h LEU 57 CO -0.15 -0.43 0.66 -0.74 0.09 0.00 0.00 178.44 177.87 2yus h HIS 58 N -0.78 0.76 0.65 1.13 2.76 -1.16 -0.39 115.15 118.12 2yus h HIS 58 Ca -0.08 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 2yus h HIS 58 Cb 0.57 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.34 2yus h HIS 58 CO 0.09 -0.25 -0.31 0.35 -1.30 0.00 0.00 177.93 176.50 2yus h PHE 59 N 0.17 -0.81 -1.36 5.26 3.57 -1.13 -2.98 116.94 119.67 2yus h PHE 59 Ca 0.79 -0.02 0.43 0.00 3.53 0.00 0.00 57.97 62.70 2yus h PHE 59 Cb 2.10 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 40.99 2yus h PHE 59 CO -0.01 -0.50 0.89 -0.07 -2.23 0.00 0.00 178.31 176.39 2yus h LEU 60 N -1.05 0.22 0.27 0.59 3.38 -0.23 0.21 115.31 118.70 2yus h LEU 60 Ca -0.09 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2yus h LEU 60 Cb 0.67 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2yus h LEU 60 CO 0.15 -0.14 -0.28 0.03 0.09 0.00 0.00 178.44 178.29 2yus h ARG 61 N 0.09 -0.57 -4.79 1.13 3.08 -1.24 -3.44 114.38 108.65 2yus h ARG 61 Ca 0.80 0.04 -0.51 0.00 0.07 0.00 0.00 59.98 60.38 2yus h ARG 61 Cb 2.60 0.13 0.11 0.00 0.08 0.00 0.00 29.97 32.89 2yus h ARG 61 CO -0.35 -0.38 -0.63 1.28 -1.07 0.00 0.00 179.97 178.82 2yus n LEU 62 N -5.40 -1.81 -4.61 3.04 4.77 0.74 -4.91 117.00 108.82 2yus n LEU 62 Ca -0.09 0.74 -0.30 0.00 -0.03 0.00 0.00 56.01 56.34 2yus n LEU 62 Cb 0.31 -0.72 0.23 0.00 -2.33 0.00 0.00 43.42 40.90 2yus n LEU 62 CO 0.28 -2.99 0.63 -2.16 -1.33 0.00 0.00 177.39 171.82 2yus s PRO 63 N -0.80 -0.91 -0.16 3.23 0.04 -1.26 -5.04 135.00 130.10 2yus s PRO 63 Ca 0.49 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.51 2yus s PRO 63 Cb -0.60 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2yus s PRO 63 CO 0.48 -3.53 0.03 -1.50 0.04 0.00 0.00 177.00 172.53 2yus s ILE 64 N -3.00 4.55 0.10 0.56 1.10 -1.26 -5.05 121.20 118.21 2yus s ILE 64 Ca 0.70 -0.13 -0.27 0.00 -0.51 0.00 0.00 60.65 60.45 2yus s ILE 64 Cb -0.12 -3.01 -0.15 0.00 0.15 0.00 0.00 42.46 39.33 2yus s ILE 64 CO 0.56 0.50 0.59 -0.62 -2.11 0.00 0.00 174.94 173.87 2yus n GLU 65 N 3.19 0.00 -1.61 3.50 4.71 -1.26 -4.77 120.64 124.40 2yus n GLU 65 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.57 2yus n GLU 65 Cb 0.53 -0.97 0.01 0.00 -1.01 0.00 0.00 31.44 30.00 2yus n GLU 65 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2yus n ASP 66 N 1.49 1.26 0.00 1.62 8.00 -1.25 -4.84 116.55 122.84 2yus n ASP 66 Ca 0.15 1.02 0.08 0.00 0.71 0.00 0.00 54.79 56.75 2yus n ASP 66 Cb 0.15 -1.36 0.41 0.00 -0.02 0.00 0.00 41.12 40.31 2yus n ASP 66 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2yus n PRO 67 N 0.09 0.34 0.00 -0.24 -0.04 -1.26 -3.59 135.00 130.30 2yus n PRO 67 Ca 0.09 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2yus n PRO 67 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2yus n PRO 67 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2yus n TYR 68 N -1.15 -0.00 -3.07 0.54 4.11 -1.26 -4.92 117.16 111.40 2yus n TYR 68 Ca 0.09 0.00 -0.45 0.00 -0.00 0.00 0.00 57.90 57.54 2yus n TYR 68 Cb 0.09 0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.42 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 -6.01 5.67 -0.06 -3.48 1.98 -1.24 -4.87 118.68 110.68 2yus s LEU 69 Ca 0.00 -2.27 -0.11 0.00 -2.89 0.00 0.00 54.13 48.85 2yus s LEU 69 Cb 0.00 -2.33 -0.06 0.00 0.66 0.00 0.00 46.19 44.46 2yus s LEU 69 CO 0.00 -0.89 0.45 -0.33 -1.89 0.00 0.00 176.35 173.70 2yus h GLU 70 N 8.46 -0.34 -2.89 1.98 3.07 -1.92 -3.32 114.58 119.61 2yus h GLU 70 Ca 0.14 0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 2yus h GLU 70 Cb 1.03 0.08 -0.27 0.00 -0.84 0.00 0.00 28.75 28.75 2yus h GLU 70 CO 0.98 -0.20 -0.38 0.54 -1.40 0.00 0.00 179.01 178.55 2yus s ASN 71 N -5.16 -0.36 0.16 1.42 2.20 -1.26 -4.83 114.94 107.11 2yus s ASN 71 Ca -0.06 0.68 -0.24 0.00 -0.94 0.00 0.00 52.86 52.30 2yus s ASN 71 Cb 0.00 0.60 0.01 0.00 -2.00 0.00 0.00 41.25 39.87 2yus s ASN 71 CO 0.19 -0.16 1.37 -0.24 -2.94 0.00 0.00 177.10 175.31 2yus n SER 72 N 3.79 -0.84 -4.78 3.54 2.88 -1.26 -4.25 113.62 112.70 2yus n SER 72 Ca -0.21 1.57 -0.39 0.00 -1.33 0.00 0.00 58.87 58.51 2yus n SER 72 Cb 0.55 -0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.71 2yus n SER 72 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2yus s ASP 73 N -5.41 7.37 -0.19 -3.46 -4.77 -1.26 -5.00 116.67 103.95 2yus s ASP 73 Ca -0.11 1.63 -0.15 0.00 -3.30 0.00 0.00 52.55 50.62 2yus s ASP 73 Cb 0.12 -2.49 -0.09 0.00 -1.09 0.00 0.00 42.92 39.36 2yus s ASP 73 CO 0.57 0.21 -0.16 -0.24 0.70 0.00 0.00 175.17 176.25 2yus n SER 74 N 1.57 1.88 0.00 2.11 2.88 -1.26 -5.08 113.62 115.71 2yus n SER 74 Ca -0.06 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 2yus n SER 74 Cb 0.49 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2yus n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yus n GLY 75 N 1.46 -1.23 3.74 0.46 0.00 -1.26 -5.12 105.19 103.24 2yus n GLY 75 Ca -0.24 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.82 1.74 -0.04 1.61 0.04 -1.26 -5.08 135.00 131.19 2yus s PRO 76 Ca 0.00 0.99 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 2yus s PRO 76 Cb 0.00 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.75 2yus s PRO 76 CO 0.00 -1.96 0.62 -1.12 0.04 0.00 0.00 177.00 174.59 2yus s SER 77 N -3.40 -0.59 0.29 6.66 0.01 -1.26 -5.14 113.70 110.27 2yus s SER 77 Ca 0.62 0.61 -0.30 0.00 1.31 0.00 0.00 55.95 58.20 2yus s SER 77 Cb -0.18 0.51 -0.13 0.00 0.21 0.00 0.00 66.02 66.43 2yus s SER 77 CO 0.56 -0.59 1.35 -1.54 0.41 0.00 0.00 173.24 173.44 2yus n SER 78 N 0.94 2.77 0.00 2.44 3.41 -1.26 -5.32 113.62 116.60 2yus n SER 78 Ca -0.19 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 2yus n SER 78 Cb 0.57 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 2yus n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49