#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t s GLN 2 N 0.00 4.04 0.05 -2.82 2.00 -1.26 -5.08 119.66 116.59 1o8t s GLN 2 Ca 0.00 -0.30 -0.24 0.00 -2.00 0.00 0.00 55.36 52.83 1o8t s GLN 2 Cb 0.00 -3.37 0.06 0.00 0.80 0.00 0.00 33.01 30.49 1o8t s GLN 2 CO 0.00 0.19 0.55 1.14 -0.50 0.00 0.00 175.29 176.67 1o8t s GLN 3 N 0.65 1.07 -1.16 1.67 0.00 -1.26 -5.09 119.66 115.54 1o8t s GLN 3 Ca 0.06 -0.20 -0.22 0.00 -0.00 0.00 0.00 55.36 55.00 1o8t s GLN 3 Cb -0.12 0.49 -0.05 0.00 0.00 0.00 0.00 33.01 33.32 1o8t s GLN 3 CO 0.01 -0.39 1.89 -1.25 0.00 0.00 0.00 175.29 175.55 1o8t s PRO 4 N -2.44 2.75 -0.03 9.60 0.04 -1.26 -4.77 135.00 138.89 1o8t s PRO 4 Ca -0.05 -1.17 -0.11 0.00 0.04 0.00 0.00 61.00 59.71 1o8t s PRO 4 Cb -0.01 -5.27 -0.06 0.00 0.04 0.00 0.00 34.50 29.21 1o8t s PRO 4 CO -0.02 -3.60 0.55 1.96 0.04 0.00 0.00 177.00 175.93 1o8t h GLN 5 N 9.63 -0.39 -4.18 4.56 1.08 -2.01 -3.36 115.11 120.44 1o8t h GLN 5 Ca 0.23 0.03 -0.48 0.00 -1.45 0.00 0.00 58.65 56.98 1o8t h GLN 5 Cb 0.94 0.09 0.05 0.00 -0.05 0.00 0.00 27.48 28.51 1o8t h GLN 5 CO 1.26 -0.26 2.11 1.04 -0.95 0.00 0.00 178.83 182.03 1o8t n GLN 6 N -4.47 1.29 -0.06 1.46 3.00 -1.26 -4.58 117.38 112.76 1o8t n GLN 6 Ca -0.05 -1.45 -0.13 0.00 -0.01 0.00 0.00 57.00 55.36 1o8t n GLN 6 Cb 0.16 -2.61 -0.01 0.00 0.00 0.00 0.00 30.24 27.79 1o8t n GLN 6 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1o8t h ASP 7 N 7.72 0.88 -0.03 1.08 2.03 -1.99 -3.28 116.42 122.83 1o8t h ASP 7 Ca 0.37 -0.47 -0.01 0.00 -0.73 0.00 0.00 57.03 56.19 1o8t h ASP 7 Cb 0.44 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1o8t h ASP 7 CO 1.70 1.24 -0.03 -0.08 -1.03 0.00 0.00 179.24 181.04 1o8t h GLU 8 N 0.61 0.07 -6.28 4.15 4.22 -1.95 -3.42 114.58 111.97 1o8t h GLU 8 Ca 0.02 -0.04 -0.57 0.00 0.08 0.00 0.00 59.36 58.85 1o8t h GLU 8 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1o8t h GLU 8 CO 0.12 0.56 1.15 1.41 -2.18 0.00 0.00 179.01 180.07 1o8t s MET 9 N -4.16 3.74 0.72 1.92 1.75 -1.24 -5.00 119.30 117.03 1o8t s MET 9 Ca -0.16 1.66 -0.08 0.00 -1.25 0.00 0.00 55.69 55.87 1o8t s MET 9 Cb 0.02 -4.06 0.06 0.00 2.84 0.00 0.00 34.83 33.68 1o8t s MET 9 CO 0.69 -1.36 1.05 -1.25 -0.65 0.00 0.00 175.02 173.50 1o8t s PRO 10 N 4.81 2.26 0.11 4.11 0.04 -1.26 -4.91 135.00 140.16 1o8t s PRO 10 Ca 0.73 -0.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 1o8t s PRO 10 Cb -0.25 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.10 1o8t s PRO 10 CO 0.30 -1.26 1.23 0.45 0.04 0.00 0.00 177.00 177.76 1o8t s SER 11 N -4.50 7.04 -0.76 6.66 0.15 -1.26 -4.94 113.70 116.09 1o8t s SER 11 Ca 0.60 2.14 -0.25 0.00 0.70 0.00 0.00 55.95 59.13 1o8t s SER 11 Cb -0.11 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1o8t s SER 11 CO 0.46 -0.46 1.87 -2.16 1.20 0.00 0.00 173.24 174.15 1o8t s PRO 12 N 0.60 2.64 0.50 5.44 0.04 -1.26 -4.97 135.00 137.98 1o8t s PRO 12 Ca 0.57 0.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.52 1o8t s PRO 12 Cb -0.32 -4.73 -0.07 0.00 0.04 0.00 0.00 34.50 29.42 1o8t s PRO 12 CO 0.32 -3.00 1.10 0.95 0.04 0.00 0.00 177.00 176.41 1o8t s THR 13 N 9.33 3.40 -0.06 1.26 -4.23 -1.26 -5.01 115.64 119.07 1o8t s THR 13 Ca 0.67 0.92 -0.07 0.00 -1.18 0.00 0.00 61.69 62.03 1o8t s THR 13 Cb -0.09 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.32 1o8t s THR 13 CO 0.10 -0.14 -0.14 0.33 -0.54 0.00 0.00 174.62 174.22 1o8t n PHE 14 N -0.92 0.00 -0.03 3.99 7.35 -1.26 -4.12 117.46 122.47 1o8t n PHE 14 Ca 0.09 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.67 1o8t n PHE 14 Cb 0.51 -0.20 -0.05 0.00 0.35 0.00 0.00 39.48 40.08 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1o8t h LEU 15 N -0.41 0.18 -1.04 -2.13 6.46 -2.01 -2.15 115.31 114.22 1o8t h LEU 15 Ca 0.00 -0.13 0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1o8t h LEU 15 Cb 0.41 -0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 1o8t h LEU 15 CO 0.00 0.27 0.64 0.74 -0.62 0.00 0.00 178.44 179.47 1o8t h THR 16 N 0.09 1.11 -0.02 1.05 2.02 -2.00 -2.62 112.91 112.54 1o8t h THR 16 Ca 0.05 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 1o8t h THR 16 Cb 0.13 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1o8t h THR 16 CO -0.01 0.22 0.01 -0.61 0.37 0.00 0.00 175.52 175.50 1o8t h GLN 17 N 1.18 0.02 -0.50 6.66 4.15 -1.66 -3.22 115.11 121.75 1o8t h GLN 17 Ca 0.41 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.91 1o8t h GLN 17 Cb 0.12 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.72 1o8t h GLN 17 CO -0.15 0.12 -0.18 0.28 -1.93 0.00 0.00 178.83 176.97 1o8t n VAL 18 N -5.03 -0.25 -0.02 2.39 0.31 -0.83 0.28 118.33 115.19 1o8t n VAL 18 Ca -0.07 1.16 -0.10 0.00 -0.01 0.00 0.00 64.34 65.33 1o8t n VAL 18 Cb 0.08 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.42 1o8t n VAL 18 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1o8t h LYS 19 N 0.00 -0.33 -0.04 5.55 1.63 -1.67 -0.38 116.57 121.34 1o8t h LYS 19 Ca 0.19 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.97 1o8t h LYS 19 Cb 0.31 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1o8t h LYS 19 CO -0.50 -0.22 -0.19 0.93 -3.45 0.00 0.00 179.45 176.03 1o8t h GLU 20 N -0.34 0.06 -0.67 1.90 3.07 -0.33 -2.16 114.58 116.12 1o8t h GLU 20 Ca 0.11 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1o8t h GLU 20 Cb 0.51 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1o8t h GLU 20 CO -0.36 0.25 0.29 0.77 -1.40 0.00 0.00 179.01 178.56 1o8t h SER 21 N 0.05 0.91 -0.20 1.42 0.02 0.45 -0.82 113.55 115.38 1o8t h SER 21 Ca 0.01 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 1o8t h SER 21 Cb 0.37 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 1o8t h SER 21 CO 0.03 0.81 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.13 1o8t h LEU 22 N 0.94 0.64 0.09 5.07 3.38 -0.73 -2.46 115.31 122.25 1o8t h LEU 22 Ca 0.23 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1o8t h LEU 22 Cb 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1o8t h LEU 22 CO -0.02 1.04 -0.08 -1.28 0.09 0.00 0.00 178.44 178.19 1o8t h SER 23 N 0.25 -0.20 0.39 -0.43 0.87 -1.27 -0.42 113.55 112.74 1o8t h SER 23 Ca 0.02 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1o8t h SER 23 Cb 0.91 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1o8t h SER 23 CO 0.07 -0.12 0.00 0.28 -0.53 0.00 0.00 176.83 176.53 1o8t h SER 24 N -0.18 0.00 0.13 6.23 0.02 -1.21 -2.26 113.55 116.29 1o8t h SER 24 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1o8t h SER 24 Cb 0.17 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.73 1o8t h SER 24 CO -0.01 0.00 -0.85 0.22 -1.14 0.00 0.00 176.83 175.05 1o8t h TYR 25 N 0.00 0.51 -0.41 3.45 3.20 -0.77 -3.33 116.97 119.61 1o8t h TYR 25 Ca 0.00 -0.37 -0.05 0.00 3.14 0.00 0.00 58.73 61.45 1o8t h TYR 25 Cb 0.20 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1o8t h TYR 25 CO 0.00 1.33 0.05 2.35 -1.64 0.00 0.00 178.16 180.25 1o8t h TRP 26 N -0.40 0.65 -0.92 -3.82 -0.00 -0.70 -0.06 115.95 110.71 1o8t h TRP 26 Ca -0.16 -0.06 0.09 0.00 -0.00 0.00 0.00 58.89 58.77 1o8t h TRP 26 Cb 1.63 -0.19 -0.12 0.00 -0.00 0.00 0.00 29.16 30.48 1o8t h TRP 26 CO 0.19 0.59 -0.55 0.93 -0.00 0.00 0.00 178.44 179.61 1o8t h GLU 27 N 0.61 -0.05 -0.01 2.65 3.07 -1.53 0.40 114.58 119.72 1o8t h GLU 27 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1o8t h GLU 27 Cb 0.31 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1o8t h GLU 27 CO 0.01 -0.03 -0.36 0.45 -1.40 0.00 0.00 179.01 177.67 1o8t n SER 28 N -5.30 1.52 -0.04 1.42 2.88 -1.19 -4.25 113.62 108.65 1o8t n SER 28 Ca 0.03 -1.20 0.03 0.00 -1.33 0.00 0.00 58.87 56.39 1o8t n SER 28 Cb 0.29 0.30 0.37 0.00 -0.75 0.00 0.00 64.21 64.43 1o8t n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o8t h ALA 29 N 3.79 1.61 -0.29 -1.46 0.00 0.11 -2.83 119.26 120.19 1o8t h ALA 29 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1o8t h ALA 29 Cb 0.63 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1o8t h ALA 29 CO 0.00 0.34 -0.11 -0.22 0.00 0.00 0.00 179.25 179.26 1o8t h LYS 30 N 0.63 -0.06 -1.01 0.00 3.64 -1.71 0.18 116.57 118.25 1o8t h LYS 30 Ca 0.16 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.80 1o8t h LYS 30 Cb -0.01 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 1o8t h LYS 30 CO -0.03 -0.04 0.60 1.15 -2.27 0.00 0.00 179.45 178.86 1o8t h THR 31 N -0.06 0.53 -0.39 1.00 2.02 -1.80 0.37 112.91 114.59 1o8t h THR 31 Ca 0.15 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1o8t h THR 31 Cb 0.28 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1o8t h THR 31 CO -0.33 0.10 0.19 0.00 0.37 0.00 0.00 175.52 175.85 1o8t h ALA 32 N 1.73 0.50 -0.37 6.16 0.00 -1.04 -0.55 119.26 125.69 1o8t h ALA 32 Ca 0.65 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.53 1o8t h ALA 32 Cb 1.25 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1o8t h ALA 32 CO -0.47 0.07 -0.30 0.00 0.00 0.00 0.00 179.25 178.54 1o8t h ALA 33 N 1.04 -0.14 -0.59 0.00 0.00 0.54 0.47 119.26 120.58 1o8t h ALA 33 Ca 0.13 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1o8t h ALA 33 Cb 0.12 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1o8t h ALA 33 CO -0.02 -0.70 0.11 1.96 0.00 0.00 0.00 179.25 180.61 1o8t h GLN 34 N -0.24 0.94 0.00 0.00 4.20 -1.34 -1.92 115.11 116.76 1o8t h GLN 34 Ca 0.17 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1o8t h GLN 34 Cb 0.52 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1o8t h GLN 34 CO -0.51 0.86 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.47 1o8t h ASN 35 N 0.89 0.00 -0.40 1.46 -0.73 0.70 -1.56 115.58 115.94 1o8t h ASN 35 Ca 0.19 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.41 1o8t h ASN 35 Cb 0.37 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.91 1o8t h ASN 35 CO 0.01 0.07 0.12 0.25 -0.37 0.00 0.00 177.43 177.51 1o8t h LEU 36 N 0.00 0.11 -0.93 0.34 5.85 0.67 0.22 115.31 121.58 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 36 Cb 0.15 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1o8t h LEU 36 CO 0.01 0.10 0.22 1.88 -0.34 0.00 0.00 178.44 180.31 1o8t h TYR 37 N 0.28 1.02 0.71 1.25 0.05 -1.34 -2.84 116.97 116.10 1o8t h TYR 37 Ca 0.19 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1o8t h TYR 37 Cb 0.18 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 1o8t h TYR 37 CO -0.16 0.81 -0.47 1.49 -1.05 0.00 0.00 178.16 178.77 1o8t h GLU 38 N 0.97 -1.08 0.00 4.88 4.22 -0.29 -2.31 114.58 120.96 1o8t h GLU 38 Ca 0.22 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.73 1o8t h GLU 38 Cb 0.25 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1o8t h GLU 38 CO -0.01 -0.72 0.00 0.36 -2.18 0.00 0.00 179.01 176.46 1o8t n LYS 39 N -5.60 0.01 0.10 1.92 2.85 0.55 -2.58 118.16 115.41 1o8t n LYS 39 Ca -0.14 0.42 -0.13 0.00 -1.05 0.00 0.00 58.31 57.41 1o8t n LYS 39 Cb 0.48 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.28 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1o8t h THR 40 N 0.00 0.86 -0.48 0.58 2.02 -1.16 -3.26 112.91 111.47 1o8t h THR 40 Ca 0.00 -0.75 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 1o8t h THR 40 Cb 0.05 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1o8t h THR 40 CO 0.00 0.16 0.03 1.88 0.37 0.00 0.00 175.52 177.95 1o8t h TYR 41 N -0.68 0.89 -3.93 3.16 0.05 -1.57 -3.44 116.97 111.45 1o8t h TYR 41 Ca -0.03 -0.14 -0.50 0.00 0.05 0.00 0.00 58.73 58.11 1o8t h TYR 41 Cb 0.48 -0.24 0.04 0.00 1.01 0.00 0.00 36.73 38.02 1o8t h TYR 41 CO 0.04 0.84 0.47 -0.51 -1.05 0.00 0.00 178.16 177.95 1o8t s LEU 42 N -9.44 4.21 -0.21 3.88 2.01 -1.18 -4.95 118.68 113.00 1o8t s LEU 42 Ca -0.13 2.22 0.04 0.00 0.01 0.00 0.00 54.13 56.28 1o8t s LEU 42 Cb 0.11 -4.04 0.39 0.00 0.01 0.00 0.00 46.19 42.67 1o8t s LEU 42 CO 0.81 -0.55 1.41 -0.81 1.01 0.00 0.00 176.35 178.22 1o8t n PRO 43 N 0.15 2.14 0.20 1.29 -0.04 -1.26 -4.43 135.00 133.05 1o8t n PRO 43 Ca 0.04 -1.68 0.15 0.00 -0.04 0.00 0.00 63.50 61.97 1o8t n PRO 43 Cb 0.47 -1.73 0.68 0.00 -0.04 0.00 0.00 33.50 32.88 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 1.96 1.00 -0.61 0.55 0.00 -1.93 -3.24 119.26 117.00 1o8t h ALA 44 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.27 1o8t h ALA 44 Cb 1.81 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.49 1o8t h ALA 44 CO 0.51 0.00 -0.16 -0.39 0.00 0.00 0.00 179.25 179.20 1o8t h VAL 45 N 0.00 0.38 -0.00 0.00 -1.51 -1.86 0.11 116.25 113.36 1o8t h VAL 45 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 1o8t h VAL 45 Cb 0.24 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 29.77 1o8t h VAL 45 CO 0.00 0.00 -0.51 -0.78 -1.23 0.00 0.00 177.57 175.05 1o8t h ASP 46 N -0.01 0.01 -0.48 4.19 3.58 -1.96 -3.08 116.42 118.68 1o8t h ASP 46 Ca 0.29 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 1o8t h ASP 46 Cb 0.45 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 1o8t h ASP 46 CO -0.63 0.53 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.03 1o8t h GLU 47 N 0.01 0.94 0.00 0.28 4.22 -1.06 -2.85 114.58 116.11 1o8t h GLU 47 Ca -0.00 -0.37 -0.00 0.00 0.08 0.00 0.00 59.36 59.06 1o8t h GLU 47 Cb 0.91 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 1o8t h GLU 47 CO 0.07 1.03 -0.01 0.87 -2.18 0.00 0.00 179.01 178.79 1o8t h LYS 48 N 0.79 0.00 0.51 1.92 6.56 -0.81 0.14 116.57 125.69 1o8t h LYS 48 Ca 0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.68 1o8t h LYS 48 Cb 0.70 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1o8t h LYS 48 CO 0.05 0.01 -0.24 -0.07 -2.06 0.00 0.00 179.45 177.14 1o8t h LEU 49 N 0.00 -0.58 -1.49 2.94 4.07 -1.52 -0.62 115.31 118.10 1o8t h LEU 49 Ca -0.00 0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1o8t h LEU 49 Cb 0.03 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1o8t h LEU 49 CO 0.00 -0.37 -0.04 0.03 -1.08 0.00 0.00 178.44 176.99 1o8t h ARG 50 N -0.78 0.28 0.47 1.13 -0.00 -1.59 -1.87 114.38 112.02 1o8t h ARG 50 Ca -0.07 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.98 59.35 1o8t h ARG 50 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.43 1o8t h ARG 50 CO 0.11 0.34 -0.42 0.22 0.00 0.00 0.00 179.97 180.23 1o8t h ASP 51 N 0.28 -1.12 0.44 7.04 1.82 -0.62 -1.24 116.42 123.02 1o8t h ASP 51 Ca 0.06 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.76 1o8t h ASP 51 Cb 0.26 0.37 -0.00 0.00 0.68 0.00 0.00 39.33 40.63 1o8t h ASP 51 CO 0.01 -0.59 -0.13 0.25 -1.61 0.00 0.00 179.24 177.17 1o8t h LEU 52 N -0.89 0.00 -0.42 2.28 5.85 -0.95 -2.78 115.31 118.40 1o8t h LEU 52 Ca -0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1o8t h LEU 52 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1o8t h LEU 52 CO -0.03 0.13 -0.11 1.88 -0.34 0.00 0.00 178.44 179.97 1o8t h TYR 53 N 0.00 0.92 0.36 1.25 -1.99 -0.65 0.29 116.97 117.15 1o8t h TYR 53 Ca -0.00 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.51 1o8t h TYR 53 Cb 0.39 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1o8t h TYR 53 CO 0.00 0.93 -0.17 1.03 -0.00 0.00 0.00 178.16 179.95 1o8t h SER 54 N 0.64 -0.41 -0.87 3.88 0.87 -0.96 -2.29 113.55 114.41 1o8t h SER 54 Ca 0.11 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1o8t h SER 54 Cb 0.64 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 1o8t h SER 54 CO 0.04 -0.25 0.46 0.11 -0.53 0.00 0.00 176.83 176.66 1o8t h LYS 55 N -0.54 1.23 0.00 2.24 6.56 -1.56 -2.31 116.57 122.19 1o8t h LYS 55 Ca -0.05 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1o8t h LYS 55 Cb 0.40 -0.23 -0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1o8t h LYS 55 CO 0.08 0.92 -0.00 1.03 -2.06 0.00 0.00 179.45 179.42 1o8t h SER 56 N 1.23 0.00 0.46 0.86 0.87 -0.76 -1.43 113.55 114.78 1o8t h SER 56 Ca 0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1o8t h SER 56 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1o8t h SER 56 CO -0.05 0.00 -0.30 0.74 -0.53 0.00 0.00 176.83 176.69 1o8t h THR 57 N 0.00 0.38 0.14 2.23 2.02 -0.83 -1.25 112.91 115.60 1o8t h THR 57 Ca -0.00 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 1o8t h THR 57 Cb 0.14 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1o8t h THR 57 CO 0.00 0.00 -1.80 0.00 0.37 0.00 0.00 175.52 174.09 1o8t h ALA 58 N -0.26 0.30 0.80 6.16 0.00 -1.71 -3.26 119.26 121.30 1o8t h ALA 58 Ca -0.05 -1.26 -0.04 0.00 0.00 0.00 0.00 54.91 53.56 1o8t h ALA 58 Cb 0.61 0.60 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1o8t h ALA 58 CO 0.04 1.12 -0.38 0.00 0.00 0.00 0.00 179.25 180.03 1o8t h ALA 59 N 0.04 -1.08 0.00 0.00 0.00 -1.36 -3.06 119.26 113.80 1o8t h ALA 59 Ca -0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1o8t h ALA 59 Cb 1.98 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 20.18 1o8t h ALA 59 CO 0.10 -1.04 -0.07 1.98 0.00 0.00 0.00 179.25 180.22 1o8t h MET 60 N -1.20 0.00 0.00 0.00 4.05 -1.40 -1.48 114.93 114.89 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 0.07 0.00 1.03 0.23 0.00 0.00 176.91 178.42 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.58 0.30 113.55 114.54 1o8t h SER 61 Ca -0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.16 1o8t h SER 61 Cb 0.15 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 1o8t h SER 61 CO 0.01 0.00 -2.30 0.41 -0.53 0.00 0.00 176.83 174.42 1o8t n THR 62 N -2.40 1.46 0.30 2.23 -1.04 -0.60 -4.28 114.28 109.95 1o8t n THR 62 Ca 0.01 -0.31 0.19 0.00 -2.04 0.00 0.00 64.05 61.89 1o8t n THR 62 Cb 0.19 -1.91 0.90 0.00 -1.82 0.00 0.00 70.33 67.68 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1o8t h TYR 63 N -0.95 0.00 0.51 -1.42 0.05 -1.44 -0.50 116.97 113.22 1o8t h TYR 63 Ca -0.60 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.16 1o8t h TYR 63 Cb 1.51 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.26 1o8t h TYR 63 CO -0.12 0.03 -0.25 1.15 -1.05 0.00 0.00 178.16 177.91 1o8t h THR 64 N 0.00 0.00 -0.76 -2.88 2.02 -1.14 0.54 112.91 110.69 1o8t h THR 64 Ca -0.00 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1o8t h THR 64 Cb 0.28 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1o8t h THR 64 CO 0.00 0.00 0.36 1.23 0.37 0.00 0.00 175.52 177.48 1o8t h GLY 65 N -1.14 1.16 0.83 2.16 0.00 -1.72 -1.18 103.07 103.18 1o8t h GLY 65 Ca -0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1o8t h GLY 65 CO 0.12 0.54 -0.38 -2.22 0.00 0.00 0.00 176.54 174.60 1o8t h ILE 66 N 1.08 0.07 -0.07 2.60 1.08 -1.13 0.52 117.51 121.66 1o8t h ILE 66 Ca 0.26 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1o8t h ILE 66 Cb 0.12 0.09 -0.06 0.00 -3.07 0.00 0.00 36.82 33.90 1o8t h ILE 66 CO -0.03 0.01 -0.44 0.15 -0.69 0.00 0.00 178.15 177.14 1o8t h PHE 67 N -1.23 -1.27 0.00 1.37 3.57 0.17 -0.11 116.94 119.44 1o8t h PHE 67 Ca -0.11 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.82 0.56 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1o8t h PHE 67 CO -0.00 -0.50 0.00 0.00 -2.23 0.00 0.00 178.31 175.58 1o8t h THR 68 N -0.55 0.00 0.69 4.41 1.03 -1.28 -2.96 112.91 114.24 1o8t h THR 68 Ca 0.06 -0.20 -0.03 0.00 -0.01 0.00 0.00 66.41 66.22 1o8t h THR 68 Cb 0.65 1.10 -0.01 0.00 -1.07 0.00 0.00 68.15 68.83 1o8t h THR 68 CO -0.37 0.00 -0.48 -0.78 -0.01 0.00 0.00 175.52 173.89 1o8t h ASP 69 N 0.00 -1.23 0.77 0.00 1.82 0.11 0.23 116.42 118.12 1o8t h ASP 69 Ca 0.00 0.08 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.22 0.37 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1o8t h ASP 69 CO 0.00 -0.70 -0.22 -0.61 -1.61 0.00 0.00 179.24 176.10 1o8t h GLN 70 N -1.10 0.00 0.32 0.28 -0.00 -1.52 -2.08 115.11 111.01 1o8t h GLN 70 Ca -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 1o8t h GLN 70 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.39 1o8t h GLN 70 CO 0.06 0.22 -0.15 0.28 0.00 0.00 0.00 178.83 179.23 1o8t h VAL 71 N 0.00 0.63 -0.66 2.39 2.07 -1.32 -2.48 116.25 116.89 1o8t h VAL 71 Ca -0.00 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.95 1o8t h VAL 71 Cb 0.66 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1o8t h VAL 71 CO 0.03 0.11 0.44 0.25 0.02 0.00 0.00 177.57 178.42 1o8t h LEU 72 N -0.82 0.52 -1.35 2.57 5.85 -0.51 0.16 115.31 121.74 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1o8t h LEU 72 Cb 0.52 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1o8t h LEU 72 CO 0.07 0.33 0.49 -1.28 -0.34 0.00 0.00 178.44 177.71 1o8t h SER 73 N 0.59 0.71 1.13 1.25 0.87 -1.17 0.13 113.55 117.06 1o8t h SER 73 Ca 0.29 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1o8t h SER 73 Cb 0.39 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1o8t h SER 73 CO -0.09 0.46 -0.01 0.58 -0.53 0.00 0.00 176.83 177.24 1o8t h VAL 74 N 0.81 0.02 -0.39 2.23 2.07 -0.50 -2.84 116.25 117.64 1o8t h VAL 74 Ca 0.31 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1o8t h VAL 74 Cb 0.21 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1o8t h VAL 74 CO -0.10 0.01 -0.01 0.25 0.02 0.00 0.00 177.57 177.73 1o8t h LEU 75 N 0.00 0.59 -0.17 2.57 7.12 -0.56 0.18 115.31 125.03 1o8t h LEU 75 Ca -0.00 -0.13 -0.11 0.00 0.13 0.00 0.00 57.88 57.77 1o8t h LEU 75 Cb 0.57 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1o8t h LEU 75 CO 0.00 0.67 -0.32 0.11 -0.13 0.00 0.00 178.44 178.77 1o8t h LYS 76 N 0.59 0.52 0.00 1.25 6.56 -1.48 -2.48 116.57 121.53 1o8t h LYS 76 Ca 0.12 -0.33 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1o8t h LYS 76 Cb 0.39 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1o8t h LYS 76 CO 0.02 0.93 0.00 0.41 -2.06 0.00 0.00 179.45 178.75 1o8t n GLY 77 N 0.38 -0.17 0.13 3.86 0.00 -1.12 -4.54 105.19 103.73 1o8t n GLY 77 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1o8t n GLY 77 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1o8t h GLU 78 N 0.00 -0.20 0.00 1.61 4.22 -0.87 -3.51 114.58 115.83 1o8t h GLU 78 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1o8t h GLU 78 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1o8t h GLU 78 CO 0.00 -0.13 0.00 -1.91 -2.18 0.00 0.00 179.01 174.79