#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 3.69 0.12 -2.82 -0.21 -1.26 -4.98 119.66 114.20 1o8t s GLN 2 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 55.36 55.13 1o8t s GLN 2 Cb 0.00 -3.80 -0.05 0.00 1.00 0.00 0.00 33.01 30.16 1o8t s GLN 2 CO 0.00 -0.68 1.64 0.37 -2.12 0.00 0.00 175.29 174.50 1o8t h GLN 3 N 8.43 -0.36 -0.72 2.91 5.75 -2.04 -1.89 115.11 127.19 1o8t h GLN 3 Ca -0.27 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.43 1o8t h GLN 3 Cb 1.12 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.71 1o8t h GLN 3 CO 0.81 -0.24 0.50 -1.00 -2.65 0.00 0.00 178.83 176.25 1o8t h PRO 4 N -0.37 0.18 -0.21 -2.39 0.13 -2.00 -0.92 132.00 126.41 1o8t h PRO 4 Ca 0.06 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.98 1o8t h PRO 4 Cb 0.46 -0.04 0.01 0.00 0.13 0.00 0.00 31.00 31.55 1o8t h PRO 4 CO -0.22 0.12 -0.66 1.96 -0.23 0.00 0.00 178.00 178.97 1o8t h GLN 5 N 0.19 0.82 -7.31 0.86 7.50 -1.79 -3.45 115.11 111.93 1o8t h GLN 5 Ca 0.35 -0.60 -0.44 0.00 0.50 0.00 0.00 58.65 58.46 1o8t h GLN 5 Cb 1.11 0.10 0.18 0.00 0.05 0.00 0.00 27.48 28.92 1o8t h GLN 5 CO -0.06 1.22 0.14 -0.65 -1.50 0.00 0.00 178.83 177.97 1o8t s GLN 6 N -3.92 -0.18 -0.66 1.46 1.11 -0.35 -4.89 119.66 112.22 1o8t s GLN 6 Ca -0.11 0.49 -0.26 0.00 0.01 0.00 0.00 55.36 55.49 1o8t s GLN 6 Cb 0.09 -1.67 -0.02 0.00 -1.01 0.00 0.00 33.01 30.41 1o8t s GLN 6 CO 0.90 -3.14 1.80 0.34 0.01 0.00 0.00 175.29 175.19 1o8t s ASP 7 N -3.30 5.38 -0.02 5.90 2.15 -1.26 -4.86 116.67 120.67 1o8t s ASP 7 Ca 0.67 0.11 -0.13 0.00 0.43 0.00 0.00 52.55 53.63 1o8t s ASP 7 Cb -0.19 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.82 1o8t s ASP 7 CO 0.59 -2.34 0.68 -0.33 -0.17 0.00 0.00 175.17 173.60 1o8t h GLU 8 N 13.93 -0.45 -6.28 4.34 4.39 -1.87 -3.42 114.58 125.23 1o8t h GLU 8 Ca -0.22 0.03 -0.56 0.00 0.34 0.00 0.00 59.36 58.95 1o8t h GLU 8 Cb 1.13 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1o8t h GLU 8 CO 1.23 -0.30 1.14 0.00 -1.16 0.00 0.00 179.01 179.93 1o8t s MET 9 N -3.18 3.78 0.00 2.33 0.23 -1.26 -4.93 119.30 116.27 1o8t s MET 9 Ca -0.07 1.70 -0.25 0.00 -1.03 0.00 0.00 55.69 56.04 1o8t s MET 9 Cb 0.01 -4.05 -0.14 0.00 -1.53 0.00 0.00 34.83 29.12 1o8t s MET 9 CO 0.20 -1.32 1.04 -1.35 -2.03 0.00 0.00 175.02 171.57 1o8t h PRO 10 N 10.89 -0.82 -7.10 3.16 0.11 -2.03 -3.45 132.00 132.76 1o8t h PRO 10 Ca -0.34 0.06 -0.49 0.00 0.11 0.00 0.00 66.00 65.34 1o8t h PRO 10 Cb 1.16 0.19 0.05 0.00 0.11 0.00 0.00 31.00 32.50 1o8t h PRO 10 CO 1.00 -0.53 0.40 -1.12 -0.21 0.00 0.00 178.00 177.54 1o8t s SER 11 N -4.58 6.00 0.47 -2.05 0.01 -1.26 -5.01 113.70 107.28 1o8t s SER 11 Ca -0.13 1.99 -0.22 0.00 1.31 0.00 0.00 55.95 58.90 1o8t s SER 11 Cb 0.01 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1o8t s SER 11 CO 0.40 -1.02 1.15 -2.16 0.41 0.00 0.00 173.24 172.03 1o8t s PRO 12 N -3.42 3.69 -0.64 12.44 0.04 -1.26 -4.94 135.00 140.91 1o8t s PRO 12 Ca 0.68 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 1o8t s PRO 12 Cb -0.19 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 1o8t s PRO 12 CO 0.26 -0.60 1.74 0.95 0.04 0.00 0.00 177.00 179.39 1o8t s THR 13 N -1.60 3.43 0.00 1.26 -4.23 -1.26 -4.85 115.64 108.39 1o8t s THR 13 Ca 0.65 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 61.18 1o8t s THR 13 Cb -0.27 -4.15 -0.18 0.00 1.34 0.00 0.00 72.50 69.24 1o8t s THR 13 CO 0.33 -1.11 1.28 -0.26 -0.54 0.00 0.00 174.62 174.31 1o8t h PHE 14 N 13.93 0.24 0.14 3.99 -1.00 -2.00 -2.74 116.94 129.50 1o8t h PHE 14 Ca -0.26 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.43 1o8t h PHE 14 Cb 1.14 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1o8t h PHE 14 CO 1.06 0.66 -0.07 -0.07 -1.61 0.00 0.00 178.31 178.29 1o8t h LEU 15 N -0.26 -0.16 -2.38 1.54 4.07 -2.04 -2.68 115.31 113.40 1o8t h LEU 15 Ca 0.01 -0.10 0.03 0.00 0.08 0.00 0.00 57.88 57.90 1o8t h LEU 15 Cb 0.64 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.41 1o8t h LEU 15 CO 0.02 -0.00 0.14 0.74 -1.08 0.00 0.00 178.44 178.26 1o8t h THR 16 N -0.32 0.37 -0.27 0.22 2.02 -1.97 -1.90 112.91 111.06 1o8t h THR 16 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1o8t h THR 16 Cb 0.25 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1o8t h THR 16 CO 0.03 0.00 0.07 -0.61 0.37 0.00 0.00 175.52 175.38 1o8t h GLN 17 N 0.00 0.39 -0.52 6.66 5.75 -1.15 -3.24 115.11 123.01 1o8t h GLN 17 Ca 0.05 -0.05 0.16 0.00 -0.15 0.00 0.00 58.65 58.66 1o8t h GLN 17 Cb 0.32 -0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.70 1o8t h GLN 17 CO -0.00 0.36 0.08 1.33 -2.65 0.00 0.00 178.83 177.95 1o8t n VAL 18 N -4.39 -0.22 -0.30 2.39 0.24 -0.71 0.47 118.33 115.81 1o8t n VAL 18 Ca 0.01 1.11 0.08 0.00 -2.04 0.00 0.00 64.34 63.51 1o8t n VAL 18 Cb 0.16 -1.67 0.25 0.00 -1.47 0.00 0.00 33.84 31.11 1o8t n VAL 18 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1o8t h LYS 19 N 0.00 0.60 -0.11 7.34 2.10 -1.82 0.44 116.57 125.13 1o8t h LYS 19 Ca 0.35 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.91 1o8t h LYS 19 Cb 0.78 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.96 1o8t h LYS 19 CO -0.46 0.40 -0.15 0.93 -2.00 0.00 0.00 179.45 178.17 1o8t h GLU 20 N 0.62 0.18 -0.55 0.07 3.07 -0.26 -2.40 114.58 115.31 1o8t h GLU 20 Ca 0.49 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.27 1o8t h GLU 20 Cb 0.72 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.58 1o8t h GLU 20 CO -0.38 0.33 0.20 0.66 -1.40 0.00 0.00 179.01 178.42 1o8t h SER 21 N 0.17 0.74 -0.22 1.42 4.64 -0.95 -1.63 113.55 117.71 1o8t h SER 21 Ca 0.03 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1o8t h SER 21 Cb 0.37 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1o8t h SER 21 CO 0.02 0.69 -0.36 0.25 -0.87 0.00 0.00 176.83 176.56 1o8t h LEU 22 N 0.80 0.71 0.01 5.97 5.85 -1.27 -2.44 115.31 124.94 1o8t h LEU 22 Ca 0.19 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1o8t h LEU 22 Cb 0.20 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1o8t h LEU 22 CO -0.01 1.10 -0.04 0.28 -0.34 0.00 0.00 178.44 179.43 1o8t h SER 23 N 0.34 -0.10 0.36 1.25 0.02 -1.24 -1.24 113.55 112.94 1o8t h SER 23 Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1o8t h SER 23 Cb 0.95 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1o8t h SER 23 CO 0.08 -0.06 0.00 0.28 -1.14 0.00 0.00 176.83 176.00 1o8t h SER 24 N -0.07 0.00 -0.23 3.07 0.02 -1.34 -2.57 113.55 112.43 1o8t h SER 24 Ca 0.01 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1o8t h SER 24 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1o8t h SER 24 CO -0.03 0.00 -0.49 0.22 -1.14 0.00 0.00 176.83 175.38 1o8t h TYR 25 N 0.00 0.94 -0.72 3.45 5.03 -0.71 -3.22 116.97 121.74 1o8t h TYR 25 Ca 0.00 -0.35 -0.06 0.00 2.58 0.00 0.00 58.73 60.90 1o8t h TYR 25 Cb 0.18 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 1o8t h TYR 25 CO 0.00 1.14 0.22 2.35 -1.32 0.00 0.00 178.16 180.56 1o8t h TRP 26 N 0.47 1.16 -0.90 -3.82 7.01 -1.27 0.28 115.95 118.88 1o8t h TRP 26 Ca 0.00 -0.11 0.10 0.00 2.11 0.00 0.00 58.89 60.99 1o8t h TRP 26 Cb 1.10 -0.34 -0.12 0.00 -2.10 0.00 0.00 29.16 27.70 1o8t h TRP 26 CO 0.08 0.92 -0.53 0.93 -2.79 0.00 0.00 178.44 177.05 1o8t h GLU 27 N 1.08 -0.06 -0.02 2.65 3.07 -1.56 0.16 114.58 119.91 1o8t h GLU 27 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1o8t h GLU 27 CO -0.01 -0.04 -0.11 0.43 -1.40 0.00 0.00 179.01 177.88 1o8t n SER 28 N -5.32 1.79 0.30 1.42 7.64 -1.20 -4.21 113.62 114.04 1o8t n SER 28 Ca 0.03 -1.48 0.16 0.00 1.01 0.00 0.00 58.87 58.60 1o8t n SER 28 Cb 0.31 0.09 0.95 0.00 -1.01 0.00 0.00 64.21 64.55 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 4.23 1.40 -0.56 -0.43 0.00 0.15 -2.84 119.26 121.21 1o8t h ALA 29 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1o8t h ALA 29 Cb 0.64 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1o8t h ALA 29 CO 0.00 0.02 0.15 0.87 0.00 0.00 0.00 179.25 180.29 1o8t h LYS 30 N 0.00 0.29 -1.03 0.00 6.56 -1.73 0.25 116.57 120.92 1o8t h LYS 30 Ca -0.00 -0.02 0.26 0.00 -1.06 0.00 0.00 60.65 59.83 1o8t h LYS 30 Cb 0.04 -0.07 -0.11 0.00 -0.57 0.00 0.00 32.23 31.52 1o8t h LYS 30 CO 0.00 0.19 0.63 1.79 -2.06 0.00 0.00 179.45 180.01 1o8t h THR 31 N 0.30 0.52 -0.46 -0.16 1.35 -1.84 0.40 112.91 113.02 1o8t h THR 31 Ca 0.28 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.96 1o8t h THR 31 Cb 0.38 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.77 1o8t h THR 31 CO -0.34 0.09 0.22 0.00 -0.25 0.00 0.00 175.52 175.25 1o8t h ALA 32 N 1.68 0.60 -0.29 6.62 0.00 -1.12 -0.24 119.26 126.51 1o8t h ALA 32 Ca 0.63 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1o8t h ALA 32 Cb 1.39 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1o8t h ALA 32 CO -0.40 0.16 -0.36 0.00 0.00 0.00 0.00 179.25 178.66 1o8t h ALA 33 N 1.07 -0.33 -0.50 0.00 0.00 0.05 0.49 119.26 120.04 1o8t h ALA 33 Ca 0.16 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1o8t h ALA 33 Cb 0.12 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1o8t h ALA 33 CO -0.02 -0.80 0.06 1.96 0.00 0.00 0.00 179.25 180.45 1o8t h GLN 34 N -0.34 0.80 0.00 0.00 7.50 -1.40 -1.89 115.11 119.79 1o8t h GLN 34 Ca 0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 1o8t h GLN 34 Cb 0.56 -0.11 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 1o8t h GLN 34 CO -0.48 0.77 -0.07 -0.97 -1.50 0.00 0.00 178.83 176.58 1o8t h ASN 35 N 0.76 0.00 -0.42 1.46 -0.00 0.89 -1.61 115.58 116.66 1o8t h ASN 35 Ca 0.16 0.00 0.05 0.00 -0.00 0.00 0.00 56.30 56.51 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.65 1o8t h ASN 35 CO 0.01 0.07 0.15 0.25 -0.00 0.00 0.00 177.43 177.91 1o8t h LEU 36 N 0.00 0.15 -1.04 0.34 5.85 0.75 0.57 115.31 121.94 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 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1o8t h LEU 36 CO 0.01 0.12 0.16 1.88 -0.34 0.00 0.00 178.44 180.27 1o8t h TYR 37 N 0.31 0.87 -0.20 1.25 0.05 -1.36 -2.42 116.97 115.47 1o8t h TYR 37 Ca 0.19 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.93 1o8t h TYR 37 Cb 0.18 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 1o8t h TYR 37 CO -0.15 0.72 0.04 1.49 -1.05 0.00 0.00 178.16 179.20 1o8t h GLU 38 N 0.83 0.12 0.00 4.88 4.22 -0.16 -1.83 114.58 122.63 1o8t h GLU 38 Ca 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1o8t h GLU 38 Cb 0.26 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1o8t h GLU 38 CO -0.01 0.08 0.07 0.87 -2.18 0.00 0.00 179.01 177.84 1o8t h LYS 39 N 0.12 0.00 -0.43 1.92 6.56 0.51 -0.79 116.57 124.46 1o8t h LYS 39 Ca 0.09 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.53 1o8t h LYS 39 Cb 0.08 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 1o8t h LYS 39 CO -0.11 0.00 -0.30 1.79 -2.06 0.00 0.00 179.45 178.77 1o8t h THR 40 N 0.00 1.27 -0.04 -0.16 1.35 -1.20 -3.18 112.91 110.94 1o8t h THR 40 Ca 0.00 -1.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 1o8t h THR 40 Cb 0.13 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1o8t h THR 40 CO 0.00 0.50 0.00 1.88 -0.25 0.00 0.00 175.52 177.65 1o8t h TYR 41 N 0.80 0.08 -4.47 4.73 0.05 -1.24 -3.49 116.97 113.44 1o8t h TYR 41 Ca 0.09 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1o8t h TYR 41 Cb 0.88 -0.02 0.03 0.00 1.01 0.00 0.00 36.73 38.63 1o8t h TYR 41 CO 0.06 0.34 -0.13 1.28 -1.05 0.00 0.00 178.16 178.66 1o8t n LEU 42 N -4.90 -4.78 0.00 3.88 4.77 -1.18 -5.06 117.00 109.73 1o8t n LEU 42 Ca -0.07 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1o8t n LEU 42 Cb 0.17 -2.36 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 1o8t n LEU 42 CO 0.34 -0.51 0.00 -0.81 -1.33 0.00 0.00 177.39 175.08 1o8t n PRO 43 N -1.74 0.00 0.19 3.23 -0.04 -1.26 -4.64 135.00 130.74 1o8t n PRO 43 Ca -0.01 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.63 1o8t n PRO 43 Cb 0.52 -0.29 0.64 0.00 -0.04 0.00 0.00 33.50 34.33 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 -2.00 1.00 -0.86 0.55 0.00 -1.98 -3.33 119.26 112.63 1o8t h ALA 44 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1o8t h ALA 44 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 1o8t h ALA 44 CO 0.00 0.00 -0.25 1.33 0.00 0.00 0.00 179.25 180.33 1o8t n VAL 45 N -2.48 -0.39 0.06 0.00 0.24 -1.26 0.12 118.33 114.62 1o8t n VAL 45 Ca 0.00 1.99 -0.02 0.00 -2.04 0.00 0.00 64.34 64.28 1o8t n VAL 45 Cb 0.16 -2.73 0.25 0.00 -1.47 0.00 0.00 33.84 30.05 1o8t n VAL 45 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1o8t h ASP 46 N 0.00 0.36 -0.31 -1.34 3.58 -1.90 -3.00 116.42 113.82 1o8t h ASP 46 Ca 0.39 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 1o8t h ASP 46 Cb 0.60 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1o8t h ASP 46 CO -0.88 0.63 -0.08 -0.08 -2.88 0.00 0.00 179.24 175.94 1o8t h GLU 47 N 0.33 0.60 -0.02 0.28 4.22 0.64 -2.83 114.58 117.81 1o8t h GLU 47 Ca 0.05 -0.23 0.00 0.00 0.08 0.00 0.00 59.36 59.26 1o8t h GLU 47 Cb 0.64 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1o8t h GLU 47 CO 0.05 0.79 0.03 0.87 -2.18 0.00 0.00 179.01 178.57 1o8t h LYS 48 N 0.37 0.00 0.42 1.92 1.57 -0.80 0.49 116.57 120.53 1o8t h LYS 48 Ca 0.08 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1o8t h LYS 48 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1o8t h LYS 48 CO 0.03 0.00 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.64 1o8t h LEU 49 N 0.00 -0.48 -1.23 2.94 3.38 -1.41 0.76 115.31 119.28 1o8t h LEU 49 Ca 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1o8t h LEU 49 Cb 0.08 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1o8t h LEU 49 CO -0.00 -0.30 0.11 0.03 0.09 0.00 0.00 178.44 178.37 1o8t h ARG 50 N -0.64 0.65 0.49 1.13 -0.00 -1.60 -1.39 114.38 113.02 1o8t h ARG 50 Ca -0.06 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.98 59.30 1o8t h ARG 50 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.27 1o8t h ARG 50 CO 0.09 0.59 -0.43 -0.44 0.00 0.00 0.00 179.97 179.78 1o8t h ASP 51 N 0.63 -1.15 0.74 7.04 5.19 -0.86 -1.89 116.42 126.13 1o8t h ASP 51 Ca 0.15 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1o8t h ASP 51 Cb 0.23 0.37 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 1o8t h ASP 51 CO -0.00 -0.60 -0.06 -0.07 -3.12 0.00 0.00 179.24 175.38 1o8t h LEU 52 N -0.92 0.00 -0.02 1.55 3.38 -0.74 -3.00 115.31 115.56 1o8t h LEU 52 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1o8t h LEU 52 Cb 0.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1o8t h LEU 52 CO -0.03 0.06 -0.00 1.88 0.09 0.00 0.00 178.44 180.44 1o8t h TYR 53 N 0.00 0.04 -0.24 1.13 -1.99 -0.67 0.56 116.97 115.79 1o8t h TYR 53 Ca -0.00 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1o8t h TYR 53 Cb 0.45 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 1o8t h TYR 53 CO 0.00 0.39 0.15 0.77 -0.00 0.00 0.00 178.16 179.47 1o8t h SER 54 N -0.33 0.30 -0.27 3.88 0.02 -1.28 -1.00 113.55 114.87 1o8t h SER 54 Ca 0.00 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1o8t h SER 54 Cb 0.38 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1o8t h SER 54 CO 0.00 0.26 0.14 0.11 -1.14 0.00 0.00 176.83 176.21 1o8t h LYS 55 N 0.30 0.38 -0.61 3.45 1.57 -1.54 -3.09 116.57 117.03 1o8t h LYS 55 Ca 0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1o8t h LYS 55 Cb 0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1o8t h LYS 55 CO -0.02 0.35 0.27 0.66 -0.57 0.00 0.00 179.45 180.15 1o8t h SER 56 N 0.32 0.82 -0.49 0.86 4.64 -0.74 0.13 113.55 119.09 1o8t h SER 56 Ca 0.09 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1o8t h SER 56 Cb 0.08 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1o8t h SER 56 CO -0.01 0.74 0.32 0.71 -0.87 0.00 0.00 176.83 177.72 1o8t h THR 57 N 0.84 1.00 0.00 2.95 1.35 -1.12 0.32 112.91 118.25 1o8t h THR 57 Ca 0.21 -0.16 -0.17 0.00 -0.55 0.00 0.00 66.41 65.75 1o8t h THR 57 Cb 0.15 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 1o8t h THR 57 CO -0.02 0.08 -0.95 0.00 -0.25 0.00 0.00 175.52 174.38 1o8t h ALA 58 N 1.73 0.19 0.51 6.62 0.00 -1.43 -3.30 119.26 123.59 1o8t h ALA 58 Ca 0.21 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 1o8t h ALA 58 Cb 0.24 0.58 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1o8t h ALA 58 CO -0.05 0.55 -0.25 0.00 0.00 0.00 0.00 179.25 179.50 1o8t h ALA 59 N -0.48 -0.69 0.00 0.00 0.00 -0.68 -2.86 119.26 114.56 1o8t h ALA 59 Ca -0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1o8t h ALA 59 Cb 1.14 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1o8t h ALA 59 CO -0.15 -0.82 0.00 -0.12 0.00 0.00 0.00 179.25 178.16 1o8t n MET 60 N -5.33 0.06 0.29 0.00 1.56 0.11 -2.09 117.12 111.72 1o8t n MET 60 Ca -0.12 0.52 0.19 0.00 -0.27 0.00 0.00 57.70 58.01 1o8t n MET 60 Cb 0.31 -1.69 0.84 0.00 2.15 0.00 0.00 33.22 34.84 1o8t n MET 60 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1o8t h SER 61 N 0.00 0.00 0.00 6.12 4.64 -1.58 0.16 113.55 122.88 1o8t h SER 61 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1o8t h SER 61 Cb 0.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 1o8t h SER 61 CO 0.00 0.01 -2.41 0.35 -0.87 0.00 0.00 176.83 173.92 1o8t n THR 62 N -3.13 1.39 0.29 2.95 -2.24 -0.89 -4.41 114.28 108.25 1o8t n THR 62 Ca -0.01 -0.38 0.15 0.00 -2.27 0.00 0.00 64.05 61.53 1o8t n THR 62 Cb 0.24 -1.76 0.68 0.00 -2.10 0.00 0.00 70.33 67.39 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 1o8t h TYR 63 N -0.75 0.00 0.47 4.78 0.05 -1.57 -0.89 116.97 119.06 1o8t h TYR 63 Ca -0.63 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.13 1o8t h TYR 63 Cb 1.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.35 1o8t h TYR 63 CO -0.06 0.00 -0.22 1.15 -1.05 0.00 0.00 178.16 177.97 1o8t h THR 64 N 0.00 0.18 -0.48 -2.88 2.02 -1.16 0.60 112.91 111.19 1o8t h THR 64 Ca 0.00 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 1o8t h THR 64 Cb 0.22 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1o8t h THR 64 CO 0.00 0.04 -0.00 1.23 0.37 0.00 0.00 175.52 177.15 1o8t h GLY 65 N -1.10 0.85 0.83 2.16 0.00 -1.73 -1.82 103.07 102.26 1o8t h GLY 65 Ca -0.06 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1o8t h GLY 65 CO 0.11 0.53 -0.31 -2.22 0.00 0.00 0.00 176.54 174.64 1o8t h ILE 66 N 0.74 0.25 -0.10 2.60 2.04 -1.19 0.97 117.51 122.82 1o8t h ILE 66 Ca 0.14 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1o8t h ILE 66 Cb 0.46 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 1o8t h ILE 66 CO 0.02 0.02 -0.41 0.15 0.00 0.00 0.00 178.15 177.93 1o8t h PHE 67 N -1.05 -1.18 0.00 1.37 3.57 0.26 0.12 116.94 120.03 1o8t h PHE 67 Ca -0.09 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1o8t h PHE 67 Cb 0.71 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1o8t h PHE 67 CO -0.00 -0.48 -0.00 1.79 -2.23 0.00 0.00 178.31 177.39 1o8t h THR 68 N -0.50 0.01 0.60 4.41 1.35 -1.38 -2.98 112.91 114.42 1o8t h THR 68 Ca 0.07 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 1o8t h THR 68 Cb 0.63 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1o8t h THR 68 CO -0.38 0.00 -0.43 -0.78 -0.25 0.00 0.00 175.52 173.69 1o8t h ASP 69 N 0.00 -1.11 0.73 5.36 1.82 0.13 0.28 116.42 123.63 1o8t h ASP 69 Ca -0.00 0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.24 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 1o8t h ASP 69 CO 0.00 -0.63 -0.26 -0.61 -1.61 0.00 0.00 179.24 176.12 1o8t h GLN 70 N -0.99 0.00 0.28 0.28 5.75 -1.48 -1.66 115.11 117.30 1o8t h GLN 70 Ca -0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1o8t h GLN 70 Cb 0.82 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1o8t h GLN 70 CO 0.03 0.26 -0.14 0.28 -2.65 0.00 0.00 178.83 176.62 1o8t h VAL 71 N 0.00 0.71 -0.74 2.39 2.07 -1.32 -2.02 116.25 117.33 1o8t h VAL 71 Ca -0.00 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 66.91 1o8t h VAL 71 Cb 0.70 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1o8t h VAL 71 CO 0.03 0.13 0.49 0.25 0.02 0.00 0.00 177.57 178.49 1o8t h LEU 72 N -0.77 0.66 -1.00 2.57 6.46 -0.40 -0.19 115.31 122.63 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.50 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 40.24 1o8t h LEU 72 CO 0.06 0.41 0.65 -1.28 -0.62 0.00 0.00 178.44 177.67 1o8t h SER 73 N 0.74 1.05 0.98 1.25 0.87 -1.09 0.79 113.55 118.15 1o8t h SER 73 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1o8t h SER 73 Cb 0.32 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1o8t h SER 73 CO -0.11 0.69 0.00 0.58 -0.53 0.00 0.00 176.83 177.46 1o8t h VAL 74 N 1.21 0.00 -0.67 2.23 2.07 -0.29 -2.96 116.25 117.85 1o8t h VAL 74 Ca 0.42 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1o8t h VAL 74 Cb 0.09 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1o8t h VAL 74 CO -0.15 0.00 0.16 0.25 0.02 0.00 0.00 177.57 177.84 1o8t h LEU 75 N 0.00 1.00 -0.34 2.57 7.12 -0.46 0.22 115.31 125.42 1o8t h LEU 75 Ca 0.00 -0.21 -0.18 0.00 0.13 0.00 0.00 57.88 57.62 1o8t h LEU 75 Cb 0.49 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1o8t h LEU 75 CO 0.00 0.97 -0.54 0.50 -0.13 0.00 0.00 178.44 179.24 1o8t h LYS 76 N 1.01 0.83 0.17 1.25 3.64 -1.51 -2.79 116.57 119.18 1o8t h LYS 76 Ca 0.21 -0.52 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1o8t h LYS 76 Cb 0.36 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1o8t h LYS 76 CO 0.00 1.15 -0.08 0.78 -2.27 0.00 0.00 179.45 179.03 1o8t h GLY 77 N 0.76 -0.24 -5.13 5.01 0.00 -1.52 -3.44 103.07 98.51 1o8t h GLY 77 Ca 0.02 0.09 -0.19 0.00 0.00 0.00 0.00 47.33 47.24 1o8t h GLY 77 CO 0.12 -0.09 -0.53 -2.21 0.00 0.00 0.00 176.54 173.83 1o8t n GLU 78 N -2.94 1.48 -0.81 4.80 0.00 -0.42 -5.12 120.64 117.62 1o8t n GLU 78 Ca -0.03 -1.93 0.00 0.00 0.00 0.00 0.00 57.16 55.21 1o8t n GLU 78 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 31.44 31.33 1o8t n GLU 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52