#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t n GLN 2 N 0.00 0.71 0.48 -2.82 6.02 -0.79 -5.03 117.38 115.95 1o8t n GLN 2 Ca 0.00 -2.43 -0.20 0.00 -0.01 0.00 0.00 57.00 54.36 1o8t n GLN 2 Cb 0.00 1.29 -0.10 0.00 1.02 0.00 0.00 30.24 32.45 1o8t n GLN 2 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 1o8t h GLN 3 N 0.00 -1.22 0.12 -1.09 -0.00 -2.08 -3.32 115.11 107.53 1o8t h GLN 3 Ca -0.23 0.08 -0.22 0.00 -0.00 0.00 0.00 58.65 58.29 1o8t h GLN 3 Cb 0.86 0.28 0.02 0.00 0.00 0.00 0.00 27.48 28.64 1o8t h GLN 3 CO 0.36 -0.81 -0.92 -1.00 0.00 0.00 0.00 178.83 176.46 1o8t h PRO 4 N -1.27 0.41 -6.24 -2.39 0.13 -2.08 -3.44 132.00 117.12 1o8t h PRO 4 Ca -0.12 -0.60 -0.56 0.00 -0.87 0.00 0.00 66.00 63.85 1o8t h PRO 4 Cb 0.99 0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1o8t h PRO 4 CO 0.17 1.26 0.90 -1.14 -0.23 0.00 0.00 178.00 178.97 1o8t s GLN 5 N -2.71 4.25 1.30 0.86 2.00 -1.25 -5.02 119.66 119.10 1o8t s GLN 5 Ca -0.12 1.84 -0.22 0.00 -2.00 0.00 0.00 55.36 54.86 1o8t s GLN 5 Cb 0.03 -3.75 0.33 0.00 0.80 0.00 0.00 33.01 30.41 1o8t s GLN 5 CO 0.86 -0.68 1.07 -0.65 -0.50 0.00 0.00 175.29 175.39 1o8t s GLN 6 N 3.23 -2.02 1.22 1.67 -1.52 -1.26 -1.88 119.66 119.10 1o8t s GLN 6 Ca 0.61 -0.16 -0.20 0.00 -1.95 0.00 0.00 55.36 53.66 1o8t s GLN 6 Cb -0.26 -1.51 0.30 0.00 -0.22 0.00 0.00 33.01 31.31 1o8t s GLN 6 CO 0.21 -4.22 1.15 0.16 -0.25 0.00 0.00 175.29 172.34 1o8t s ASP 7 N -3.83 0.82 1.16 5.90 -4.77 -1.26 -2.85 116.67 111.84 1o8t s ASP 7 Ca 0.71 0.45 -0.18 0.00 -3.30 0.00 0.00 52.55 50.23 1o8t s ASP 7 Cb -0.08 -0.56 0.27 0.00 -1.09 0.00 0.00 42.92 41.46 1o8t s ASP 7 CO 0.56 -4.17 1.12 -1.83 0.70 0.00 0.00 175.17 171.55 1o8t s GLU 8 N -5.58 -0.87 -0.14 2.11 1.03 -1.26 -4.79 118.70 109.20 1o8t s GLU 8 Ca 0.73 0.01 -0.29 0.00 0.03 0.00 0.00 54.97 55.45 1o8t s GLU 8 Cb -0.07 -1.63 -0.04 0.00 -0.80 0.00 0.00 34.13 31.60 1o8t s GLU 8 CO 0.55 -3.50 1.60 1.41 -1.33 0.00 0.00 175.26 173.99 1o8t s MET 9 N -5.35 4.01 0.73 -4.83 -2.45 -1.26 -4.99 119.30 105.15 1o8t s MET 9 Ca 0.70 1.89 -0.13 0.00 -1.25 0.00 0.00 55.69 56.91 1o8t s MET 9 Cb -0.11 -3.99 0.04 0.00 1.25 0.00 0.00 34.83 32.02 1o8t s MET 9 CO 0.56 -1.04 1.11 -1.25 1.05 0.00 0.00 175.02 175.45 1o8t s PRO 10 N 4.28 2.39 -0.18 4.11 0.04 -1.26 -4.96 135.00 139.41 1o8t s PRO 10 Ca 0.71 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1o8t s PRO 10 Cb -0.28 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1o8t s PRO 10 CO 0.28 -1.56 1.40 -1.12 0.04 0.00 0.00 177.00 176.04 1o8t s SER 11 N -2.88 6.74 0.84 6.66 0.01 -1.26 -5.02 113.70 118.79 1o8t s SER 11 Ca 0.65 1.68 -0.12 0.00 1.31 0.00 0.00 55.95 59.47 1o8t s SER 11 Cb -0.20 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.59 1o8t s SER 11 CO 0.49 -0.94 1.12 -2.16 0.41 0.00 0.00 173.24 172.15 1o8t s PRO 12 N 3.94 1.74 -0.02 12.44 0.04 -1.26 -4.99 135.00 146.89 1o8t s PRO 12 Ca 0.61 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1o8t s PRO 12 Cb -0.23 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1o8t s PRO 12 CO 0.22 -1.82 1.35 -0.08 0.04 0.00 0.00 177.00 176.71 1o8t s THR 13 N -3.24 3.87 -0.12 1.26 -1.32 -1.26 -4.91 115.64 109.91 1o8t s THR 13 Ca 0.62 1.23 0.16 0.00 -1.21 0.00 0.00 61.69 62.48 1o8t s THR 13 Cb -0.14 -3.79 -0.24 0.00 -1.51 0.00 0.00 72.50 66.82 1o8t s THR 13 CO 0.53 -0.01 0.38 0.33 -2.21 0.00 0.00 174.62 173.64 1o8t n PHE 14 N 5.43 0.48 -0.20 9.09 7.35 -1.26 -4.18 117.46 134.17 1o8t n PHE 14 Ca 0.13 0.17 -0.07 0.00 -0.76 0.00 0.00 57.45 56.92 1o8t n PHE 14 Cb 0.44 -1.07 0.02 0.00 0.35 0.00 0.00 39.48 39.23 1o8t n PHE 14 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 1o8t h LEU 15 N 0.00 0.75 -0.69 -2.13 8.10 -2.00 -1.16 115.31 118.17 1o8t h LEU 15 Ca -0.40 -0.13 0.05 0.00 0.11 0.00 0.00 57.88 57.50 1o8t h LEU 15 Cb 2.08 -0.19 -0.05 0.00 -0.44 0.00 0.00 40.66 42.06 1o8t h LEU 15 CO 0.05 0.67 0.41 0.74 -4.11 0.00 0.00 178.44 176.20 1o8t h THR 16 N 0.77 1.03 0.48 0.15 2.02 -2.00 -2.83 112.91 112.53 1o8t h THR 16 Ca 0.19 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1o8t h THR 16 Cb 0.13 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1o8t h THR 16 CO -0.02 0.14 -0.23 -0.61 0.37 0.00 0.00 175.52 175.17 1o8t h GLN 17 N 0.78 -0.63 -0.49 6.66 4.15 -1.64 -3.20 115.11 120.74 1o8t h GLN 17 Ca 0.29 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.87 1o8t h GLN 17 Cb 0.11 0.14 -0.09 0.00 0.21 0.00 0.00 27.48 27.85 1o8t h GLN 17 CO -0.15 -0.37 -0.08 0.28 -1.93 0.00 0.00 178.83 176.58 1o8t n VAL 18 N -5.33 -0.21 0.12 2.39 0.31 -0.47 -0.24 118.33 114.91 1o8t n VAL 18 Ca -0.12 1.12 -0.16 0.00 -0.01 0.00 0.00 64.34 65.17 1o8t n VAL 18 Cb 0.29 -1.58 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1o8t h LYS 19 N 0.00 -0.72 0.00 5.55 6.56 -1.58 -0.93 116.57 125.45 1o8t h LYS 19 Ca 0.26 0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.87 1o8t h LYS 19 Cb 0.44 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1o8t h LYS 19 CO -0.50 -0.48 -0.13 1.49 -2.06 0.00 0.00 179.45 177.77 1o8t h GLU 20 N -0.75 0.00 -0.38 3.15 4.22 -0.77 -2.29 114.58 117.77 1o8t h GLU 20 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1o8t h GLU 20 Cb 0.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 1o8t h GLU 20 CO -0.27 0.13 0.17 0.77 -2.18 0.00 0.00 179.01 177.63 1o8t h SER 21 N 0.00 0.50 -0.20 1.04 0.02 -0.03 -0.88 113.55 114.00 1o8t h SER 21 Ca -0.00 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.63 1o8t h SER 21 Cb 0.31 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 1o8t h SER 21 CO 0.02 0.51 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.63 1o8t h LEU 22 N 0.47 0.87 0.52 5.07 4.07 -0.85 -2.26 115.31 123.19 1o8t h LEU 22 Ca 0.13 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 1o8t h LEU 22 Cb 0.15 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 1o8t h LEU 22 CO -0.01 1.22 -0.29 0.28 -1.08 0.00 0.00 178.44 178.56 1o8t h SER 23 N 0.61 -0.70 0.35 -0.43 0.02 -1.25 -1.53 113.55 110.62 1o8t h SER 23 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1o8t h SER 23 Cb 1.11 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1o8t h SER 23 CO 0.11 -0.47 0.00 0.28 -1.14 0.00 0.00 176.83 175.62 1o8t h SER 24 N -0.75 0.00 -0.04 3.07 0.02 -1.22 -2.56 113.55 112.08 1o8t h SER 24 Ca -0.06 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 1o8t h SER 24 Cb 0.60 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.14 1o8t h SER 24 CO 0.09 0.00 -0.40 0.22 -1.14 0.00 0.00 176.83 175.60 1o8t h TYR 25 N 0.00 0.47 -0.36 3.45 5.03 -0.68 -3.26 116.97 121.61 1o8t h TYR 25 Ca 0.00 -0.23 -0.05 0.00 2.58 0.00 0.00 58.73 61.03 1o8t h TYR 25 Cb 0.18 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.37 1o8t h TYR 25 CO 0.00 1.01 0.02 -1.49 -1.32 0.00 0.00 178.16 176.38 1o8t h TRP 26 N -0.20 0.57 -0.93 -3.82 4.06 -0.93 0.37 115.95 115.08 1o8t h TRP 26 Ca -0.04 -0.05 0.13 0.00 2.06 0.00 0.00 58.89 60.98 1o8t h TRP 26 Cb 1.09 -0.17 -0.14 0.00 -1.00 0.00 0.00 29.16 28.94 1o8t h TRP 26 CO 0.14 0.55 -0.45 0.93 -3.56 0.00 0.00 178.44 176.05 1o8t h GLU 27 N 0.54 -0.03 0.00 0.49 5.08 -1.56 0.10 114.58 119.19 1o8t h GLU 27 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1o8t h GLU 27 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1o8t h GLU 27 CO 0.01 -0.02 -0.87 0.43 -1.00 0.00 0.00 179.01 177.55 1o8t n SER 28 N -5.40 0.65 0.26 1.42 7.64 -1.17 -4.18 113.62 112.84 1o8t n SER 28 Ca 0.07 -0.37 0.08 0.00 1.01 0.00 0.00 58.87 59.66 1o8t n SER 28 Cb 0.35 0.68 0.65 0.00 -1.01 0.00 0.00 64.21 64.88 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1o8t h ALA 29 N 2.76 1.88 -0.14 -0.43 0.00 0.14 -2.93 119.26 120.54 1o8t h ALA 29 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1o8t h ALA 29 Cb 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1o8t h ALA 29 CO 0.00 0.05 -0.21 -0.22 0.00 0.00 0.00 179.25 178.87 1o8t h LYS 30 N 0.00 -0.25 -1.04 0.00 3.64 -1.62 -0.18 116.57 117.13 1o8t h LYS 30 Ca -0.00 0.02 0.27 0.00 -1.27 0.00 0.00 60.65 59.66 1o8t h LYS 30 Cb 0.07 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 31.84 1o8t h LYS 30 CO 0.00 -0.16 0.66 1.79 -2.27 0.00 0.00 179.45 179.47 1o8t h THR 31 N -0.25 0.51 -0.53 1.00 1.35 -1.81 0.47 112.91 113.65 1o8t h THR 31 Ca 0.10 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1o8t h THR 31 Cb 0.41 0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 1o8t h THR 31 CO -0.29 0.08 0.25 0.00 -0.25 0.00 0.00 175.52 175.31 1o8t h ALA 32 N 1.65 0.68 -0.34 6.62 0.00 -1.14 -0.27 119.26 126.47 1o8t h ALA 32 Ca 0.62 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.48 1o8t h ALA 32 Cb 1.48 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1o8t h ALA 32 CO -0.35 0.25 -0.32 0.00 0.00 0.00 0.00 179.25 178.83 1o8t h ALA 33 N 1.09 -0.20 -0.56 0.00 0.00 0.53 0.56 119.26 120.68 1o8t h ALA 33 Ca 0.18 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1o8t h ALA 33 Cb 0.12 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1o8t h ALA 33 CO -0.02 -0.73 0.09 1.96 0.00 0.00 0.00 179.25 180.55 1o8t h GLN 34 N -0.27 0.89 0.00 0.00 4.20 -1.36 -1.81 115.11 116.75 1o8t h GLN 34 Ca 0.16 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1o8t h GLN 34 Cb 0.53 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1o8t h GLN 34 CO -0.49 0.83 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.46 1o8t h ASN 35 N 0.84 0.00 -0.37 1.46 -0.73 0.92 -1.51 115.58 116.19 1o8t h ASN 35 Ca 0.17 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.39 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 1o8t h ASN 35 CO 0.01 0.07 0.10 0.25 -0.37 0.00 0.00 177.43 177.48 1o8t h LEU 36 N 0.00 0.07 -1.08 0.34 6.46 0.92 0.12 115.31 122.14 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1o8t h LEU 36 Cb 0.14 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1o8t h LEU 36 CO 0.01 0.08 0.15 1.88 -0.62 0.00 0.00 178.44 179.94 1o8t h TYR 37 N 0.24 0.83 0.52 1.25 0.05 -1.34 -2.97 116.97 115.55 1o8t h TYR 37 Ca 0.17 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1o8t h TYR 37 Cb 0.18 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 1o8t h TYR 37 CO -0.17 0.68 -0.34 0.93 -1.05 0.00 0.00 178.16 178.22 1o8t h GLU 38 N 0.79 -0.78 0.00 4.88 3.07 -0.32 -2.65 114.58 119.56 1o8t h GLU 38 Ca 0.18 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1o8t h GLU 38 Cb 0.25 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1o8t h GLU 38 CO -0.01 -0.52 0.04 0.36 -1.40 0.00 0.00 179.01 177.48 1o8t n LYS 39 N -4.48 0.04 -0.03 2.33 -0.00 0.06 -1.98 118.16 114.11 1o8t n LYS 39 Ca -0.10 0.52 -0.12 0.00 -0.00 0.00 0.00 58.31 58.61 1o8t n LYS 39 Cb 0.34 -1.68 -0.07 0.00 -0.00 0.00 0.00 35.03 33.62 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1o8t h THR 40 N 0.00 1.29 -0.24 0.58 2.02 -1.30 -3.24 112.91 112.02 1o8t h THR 40 Ca 0.00 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 1o8t h THR 40 Cb 0.07 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1o8t h THR 40 CO 0.00 0.26 0.01 1.88 0.37 0.00 0.00 175.52 178.04 1o8t h TYR 41 N -0.14 0.46 -4.03 3.16 0.05 -1.46 -3.44 116.97 111.57 1o8t h TYR 41 Ca 0.02 -0.08 -0.49 0.00 0.05 0.00 0.00 58.73 58.24 1o8t h TYR 41 Cb 0.42 -0.12 0.04 0.00 1.01 0.00 0.00 36.73 38.08 1o8t h TYR 41 CO 0.05 0.58 0.42 -0.51 -1.05 0.00 0.00 178.16 177.65 1o8t s LEU 42 N -9.51 3.96 -0.23 3.88 1.02 -1.20 -4.96 118.68 111.63 1o8t s LEU 42 Ca -0.14 2.08 0.05 0.00 0.02 0.00 0.00 54.13 56.14 1o8t s LEU 42 Cb 0.07 -4.38 0.45 0.00 0.02 0.00 0.00 46.19 42.36 1o8t s LEU 42 CO 0.74 -0.79 1.47 -0.81 0.02 0.00 0.00 176.35 176.98 1o8t n PRO 43 N -0.64 2.37 0.20 1.29 -0.04 -1.26 -4.45 135.00 132.46 1o8t n PRO 43 Ca 0.08 -1.91 0.14 0.00 -0.04 0.00 0.00 63.50 61.77 1o8t n PRO 43 Cb 0.50 -1.82 0.67 0.00 -0.04 0.00 0.00 33.50 32.81 1o8t n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1o8t h ALA 44 N 2.04 1.00 -0.74 0.55 0.00 -1.93 -3.25 119.26 116.93 1o8t h ALA 44 Ca 0.26 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.31 1o8t h ALA 44 Cb 1.91 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.57 1o8t h ALA 44 CO 0.56 0.00 -0.24 0.28 0.00 0.00 0.00 179.25 179.85 1o8t h VAL 45 N 0.00 0.21 -0.16 0.00 2.07 -1.87 0.35 116.25 116.85 1o8t h VAL 45 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1o8t h VAL 45 Cb 0.24 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1o8t h VAL 45 CO 0.00 0.00 -0.48 0.44 0.02 0.00 0.00 177.57 177.55 1o8t h ASP 46 N -0.04 0.44 -0.45 0.57 3.32 -1.96 -3.13 116.42 115.17 1o8t h ASP 46 Ca 0.33 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1o8t h ASP 46 Cb 0.56 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1o8t h ASP 46 CO -0.77 0.85 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.10 1o8t h GLU 47 N 0.33 0.95 0.00 3.56 3.07 -1.01 -2.87 114.58 118.61 1o8t h GLU 47 Ca 0.02 -0.38 -0.03 0.00 -0.50 0.00 0.00 59.36 58.47 1o8t h GLU 47 Cb 0.96 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1o8t h GLU 47 CO 0.08 1.04 -0.14 0.87 -1.40 0.00 0.00 179.01 179.46 1o8t h LYS 48 N 0.83 0.00 0.68 2.33 1.79 -0.39 0.42 116.57 122.22 1o8t h LYS 48 Ca 0.12 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1o8t h LYS 48 Cb 0.73 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1o8t h LYS 48 CO 0.06 0.14 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.17 1o8t h LEU 49 N 0.00 -0.77 -1.57 2.94 3.38 -1.46 -1.31 115.31 116.53 1o8t h LEU 49 Ca -0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1o8t h LEU 49 Cb 0.31 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1o8t h LEU 49 CO 0.02 -0.48 -0.07 -0.09 0.09 0.00 0.00 178.44 177.91 1o8t h ARG 50 N -1.05 0.19 0.12 1.13 9.65 -1.57 -1.32 114.38 121.54 1o8t h ARG 50 Ca -0.09 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 1o8t h ARG 50 Cb 0.70 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 1o8t h ARG 50 CO 0.15 0.28 -0.22 0.22 2.80 0.00 0.00 179.97 183.20 1o8t h ASP 51 N 0.19 -0.62 1.24 -3.80 3.58 -0.77 -0.83 116.42 115.40 1o8t h ASP 51 Ca 0.04 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1o8t h ASP 51 Cb 0.25 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1o8t h ASP 51 CO 0.01 -0.31 -0.10 0.25 -2.88 0.00 0.00 179.24 176.21 1o8t h LEU 52 N -0.42 0.00 0.01 2.28 5.85 -0.99 -3.05 115.31 118.99 1o8t h LEU 52 Ca 0.03 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1o8t h LEU 52 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1o8t h LEU 52 CO -0.12 0.10 -0.01 1.88 -0.34 0.00 0.00 178.44 179.95 1o8t h TYR 53 N 0.00 -0.01 -0.59 1.25 0.05 -0.43 0.08 116.97 117.31 1o8t h TYR 53 Ca -0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1o8t h TYR 53 Cb 0.74 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 1o8t h TYR 53 CO 0.00 0.36 0.35 0.66 -1.05 0.00 0.00 178.16 178.48 1o8t h SER 54 N -0.39 0.72 -0.04 3.88 4.64 -1.19 -2.07 113.55 119.10 1o8t h SER 54 Ca -0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1o8t h SER 54 Cb 0.38 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1o8t h SER 54 CO 0.00 0.57 0.02 0.11 -0.87 0.00 0.00 176.83 176.66 1o8t h LYS 55 N 0.80 0.05 0.00 4.77 1.57 -1.51 -2.52 116.57 119.73 1o8t h LYS 55 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1o8t h LYS 55 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1o8t h LYS 55 CO -0.04 0.12 0.00 0.66 -0.57 0.00 0.00 179.45 179.62 1o8t h SER 56 N -0.03 0.00 0.51 0.86 4.64 -0.77 -1.63 113.55 117.13 1o8t h SER 56 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1o8t h SER 56 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 56 CO -0.00 0.00 -0.33 0.74 -0.87 0.00 0.00 176.83 176.37 1o8t h THR 57 N 0.00 0.32 0.11 2.95 2.02 -0.91 -0.91 112.91 116.49 1o8t h THR 57 Ca 0.00 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.86 1o8t h THR 57 Cb 0.12 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1o8t h THR 57 CO 0.00 0.00 -1.67 0.00 0.37 0.00 0.00 175.52 174.22 1o8t h ALA 58 N -0.39 0.29 0.81 6.16 0.00 -1.68 -3.26 119.26 121.20 1o8t h ALA 58 Ca -0.06 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.58 1o8t h ALA 58 Cb 0.66 0.61 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1o8t h ALA 58 CO 0.05 1.03 -0.39 0.00 0.00 0.00 0.00 179.25 179.94 1o8t h ALA 59 N -0.05 -1.17 0.00 0.00 0.00 -1.40 -3.09 119.26 113.56 1o8t h ALA 59 Ca -0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1o8t h ALA 59 Cb 1.85 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 1o8t h ALA 59 CO 0.05 -1.09 -0.04 1.98 0.00 0.00 0.00 179.25 180.14 1o8t h MET 60 N -1.21 0.00 0.00 0.00 4.05 -1.33 -1.73 114.93 114.71 1o8t h MET 60 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1o8t h MET 60 Cb 0.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1o8t h MET 60 CO 0.18 0.04 0.00 1.03 0.23 0.00 0.00 176.91 178.40 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.48 0.82 113.55 115.15 1o8t h SER 61 Ca -0.00 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1o8t h SER 61 Cb 0.12 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 1o8t h SER 61 CO 0.01 0.00 -1.73 0.41 -0.53 0.00 0.00 176.83 174.99 1o8t n THR 62 N -2.46 1.51 0.30 2.23 -1.04 -0.66 -4.18 114.28 109.98 1o8t n THR 62 Ca 0.01 -0.14 0.17 0.00 -2.04 0.00 0.00 64.05 62.05 1o8t n THR 62 Cb 0.19 -2.05 0.80 0.00 -1.82 0.00 0.00 70.33 67.44 1o8t n THR 62 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1o8t h TYR 63 N -1.00 0.00 0.41 -1.42 3.20 -1.50 -1.01 116.97 115.64 1o8t h TYR 63 Ca -0.42 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.43 1o8t h TYR 63 Cb 1.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1o8t h TYR 63 CO -0.10 0.00 -0.20 1.15 -1.64 0.00 0.00 178.16 177.37 1o8t h THR 64 N 0.00 0.34 -0.60 1.81 2.02 -1.02 0.69 112.91 116.15 1o8t h THR 64 Ca 0.00 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 1o8t h THR 64 Cb 0.24 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1o8t h THR 64 CO 0.00 0.07 0.10 1.23 0.37 0.00 0.00 175.52 177.29 1o8t h GLY 65 N -1.02 1.04 0.83 2.16 0.00 -1.69 -1.44 103.07 102.95 1o8t h GLY 65 Ca -0.06 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 1o8t h GLY 65 CO 0.09 0.61 -0.38 -2.22 0.00 0.00 0.00 176.54 174.64 1o8t h ILE 66 N 0.91 0.06 -0.16 2.60 2.04 -1.21 0.25 117.51 122.01 1o8t h ILE 66 Ca 0.19 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1o8t h ILE 66 Cb 0.39 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 1o8t h ILE 66 CO 0.01 0.01 -0.37 0.15 0.00 0.00 0.00 178.15 177.95 1o8t h PHE 67 N -1.24 -1.03 0.00 1.37 3.57 0.42 0.53 116.94 120.56 1o8t h PHE 67 Ca -0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.82 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1o8t h PHE 67 CO -0.00 -0.43 0.00 1.15 -2.23 0.00 0.00 178.31 176.80 1o8t h THR 68 N -0.42 0.00 0.60 4.41 2.02 -1.32 -2.97 112.91 115.23 1o8t h THR 68 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1o8t h THR 68 Cb 0.58 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1o8t h THR 68 CO -0.39 0.00 -0.43 -0.78 0.37 0.00 0.00 175.52 174.28 1o8t h ASP 69 N 0.00 -1.12 0.78 4.18 1.82 0.13 0.15 116.42 122.35 1o8t h ASP 69 Ca 0.00 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.23 0.35 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1o8t h ASP 69 CO 0.00 -0.64 -0.20 1.56 -1.61 0.00 0.00 179.24 178.35 1o8t h GLN 70 N -0.99 0.00 0.32 0.28 1.08 -1.49 -2.06 115.11 112.24 1o8t h GLN 70 Ca -0.07 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1o8t h GLN 70 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1o8t h GLN 70 CO 0.03 0.20 -0.15 0.28 -0.95 0.00 0.00 178.83 178.24 1o8t h VAL 71 N 0.00 0.64 -0.66 -0.54 2.07 -1.30 -2.45 116.25 114.01 1o8t h VAL 71 Ca -0.00 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1o8t h VAL 71 Cb 0.65 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1o8t h VAL 71 CO 0.03 0.12 0.44 -0.07 0.02 0.00 0.00 177.57 178.10 1o8t h LEU 72 N -0.82 0.53 -1.09 2.57 3.38 -0.67 -0.66 115.31 118.55 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1o8t h LEU 72 Cb 0.52 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 1o8t h LEU 72 CO 0.07 0.33 0.62 0.77 0.09 0.00 0.00 178.44 180.32 1o8t h SER 73 N 0.60 0.98 0.99 -0.43 4.64 -1.17 0.51 113.55 119.68 1o8t h SER 73 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1o8t h SER 73 Cb 0.37 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1o8t h SER 73 CO -0.09 0.65 0.00 -0.37 -0.87 0.00 0.00 176.83 176.14 1o8t h VAL 74 N 1.13 0.00 -0.54 0.95 -1.51 -0.64 -2.85 116.25 112.79 1o8t h VAL 74 Ca 0.40 -0.43 -0.06 0.00 -1.23 0.00 0.00 66.70 65.38 1o8t h VAL 74 Cb 0.13 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 1o8t h VAL 74 CO -0.14 0.00 0.07 0.25 -1.23 0.00 0.00 177.57 176.52 1o8t h LEU 75 N 0.00 0.81 -0.26 4.19 5.85 -0.73 0.31 115.31 125.48 1o8t h LEU 75 Ca 0.00 -0.17 -0.16 0.00 0.84 0.00 0.00 57.88 58.38 1o8t h LEU 75 Cb 0.50 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1o8t h LEU 75 CO 0.00 0.83 -0.48 0.11 -0.34 0.00 0.00 178.44 178.56 1o8t h LYS 76 N 0.81 0.78 0.33 1.25 1.57 -1.50 -0.63 116.57 119.19 1o8t h LYS 76 Ca 0.17 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1o8t h LYS 76 Cb 0.38 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1o8t h LYS 76 CO 0.01 1.12 -0.16 0.78 -0.57 0.00 0.00 179.45 180.63 1o8t h GLY 77 N 0.53 -0.46 0.00 3.86 0.00 -1.52 -3.41 103.07 102.07 1o8t h GLY 77 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1o8t h GLY 77 CO 0.11 -0.17 -0.24 0.83 0.00 0.00 0.00 176.54 177.07 1o8t h GLU 78 N -1.00 0.00 0.00 4.80 3.07 -1.07 -3.52 114.58 116.86 1o8t h GLU 78 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1o8t h GLU 78 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1o8t h GLU 78 CO 0.07 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.77