#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 1.33 -4.30 -0.78 0.00 -1.26 -4.76 117.38 107.61 1o8t n GLN 2 Ca 0.00 -1.93 -0.29 0.00 0.00 0.00 0.00 57.00 54.78 1o8t n GLN 2 Cb 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 30.24 29.96 1o8t n GLN 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1o8t s GLN 3 N -0.68 1.84 0.56 2.61 -1.52 -1.26 -5.03 119.66 116.17 1o8t s GLN 3 Ca 0.18 -1.18 0.26 0.00 -1.95 0.00 0.00 55.36 52.66 1o8t s GLN 3 Cb 0.42 -2.13 1.61 0.00 -0.22 0.00 0.00 33.01 32.68 1o8t s GLN 3 CO -0.09 0.48 2.18 -1.00 -0.25 0.00 0.00 175.29 176.61 1o8t h PRO 4 N 3.61 0.00 -7.21 2.91 0.13 -2.03 -3.44 132.00 125.97 1o8t h PRO 4 Ca -0.49 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.14 1o8t h PRO 4 Cb 1.17 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.39 1o8t h PRO 4 CO 0.48 0.04 0.37 -1.14 -0.23 0.00 0.00 178.00 177.52 1o8t s GLN 5 N -4.61 3.04 -1.09 0.86 -0.44 -1.26 -4.90 119.66 111.26 1o8t s GLN 5 Ca -0.04 1.25 -0.24 0.00 -2.50 0.00 0.00 55.36 53.83 1o8t s GLN 5 Cb 0.15 -1.99 -0.11 0.00 -1.64 0.00 0.00 33.01 29.42 1o8t s GLN 5 CO 0.58 -1.04 1.99 -0.65 0.50 0.00 0.00 175.29 176.68 1o8t s GLN 6 N -4.20 2.24 0.47 1.67 -1.52 -1.26 -4.94 119.66 112.11 1o8t s GLN 6 Ca 0.64 -0.78 -0.22 0.00 -1.95 0.00 0.00 55.36 53.05 1o8t s GLN 6 Cb -0.18 -5.14 -0.07 0.00 -0.22 0.00 0.00 33.01 27.40 1o8t s GLN 6 CO 0.41 -4.15 1.13 -0.51 -0.25 0.00 0.00 175.29 171.92 1o8t s ASP 7 N 7.38 6.19 0.25 5.90 1.01 -1.26 -4.96 116.67 131.17 1o8t s ASP 7 Ca 0.72 2.20 0.03 0.00 0.71 0.00 0.00 52.55 56.21 1o8t s ASP 7 Cb -0.03 -2.59 0.29 0.00 1.01 0.00 0.00 42.92 41.59 1o8t s ASP 7 CO 0.11 -0.90 1.60 1.05 0.21 0.00 0.00 175.17 177.25 1o8t h GLU 8 N 1.90 0.36 -6.24 8.23 -0.00 -2.02 -3.43 114.58 113.38 1o8t h GLU 8 Ca -0.49 -0.20 -0.56 0.00 -0.00 0.00 0.00 59.36 58.11 1o8t h GLU 8 Cb 1.24 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.99 1o8t h GLU 8 CO 0.60 0.77 1.07 1.41 -0.00 0.00 0.00 179.01 182.85 1o8t s MET 9 N -4.03 4.09 -1.13 1.06 1.75 -1.26 -4.91 119.30 114.88 1o8t s MET 9 Ca -0.05 1.97 -0.07 0.00 -1.25 0.00 0.00 55.69 56.28 1o8t s MET 9 Cb 0.12 -3.96 -0.04 0.00 2.84 0.00 0.00 34.83 33.79 1o8t s MET 9 CO 0.80 -0.93 2.88 -0.35 -0.65 0.00 0.00 175.02 176.77 1o8t n PRO 10 N 7.17 3.54 -2.32 4.11 -0.04 -1.26 -4.57 135.00 141.63 1o8t n PRO 10 Ca 0.17 -2.39 -0.43 0.00 -0.04 0.00 0.00 63.50 60.81 1o8t n PRO 10 Cb 0.44 -2.54 -0.02 0.00 -0.04 0.00 0.00 33.50 31.33 1o8t n PRO 10 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1o8t s SER 11 N 1.39 6.89 0.12 3.54 1.04 -1.26 -4.94 113.70 120.49 1o8t s SER 11 Ca 0.63 1.88 -0.20 0.00 0.48 0.00 0.00 55.95 58.74 1o8t s SER 11 Cb 0.23 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1o8t s SER 11 CO -0.08 -0.76 1.75 -0.65 0.98 0.00 0.00 173.24 174.47 1o8t h PRO 12 N 8.31 0.14 -6.79 4.02 0.11 -1.94 -3.42 132.00 132.42 1o8t h PRO 12 Ca -0.32 -0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.27 1o8t h PRO 12 Cb 1.14 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.25 1o8t h PRO 12 CO 0.94 0.09 0.54 0.95 -0.21 0.00 0.00 178.00 180.32 1o8t s THR 13 N -6.18 3.30 0.16 -1.15 -4.23 -1.26 -4.86 115.64 101.41 1o8t s THR 13 Ca -0.13 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1o8t s THR 13 Cb 0.09 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1o8t s THR 13 CO 0.69 0.27 0.00 0.33 -0.54 0.00 0.00 174.62 175.37 1o8t n PHE 14 N 1.43 -2.38 -0.22 3.99 7.35 -1.26 -4.82 117.46 121.56 1o8t n PHE 14 Ca 0.01 0.45 -0.07 0.00 -0.76 0.00 0.00 57.45 57.07 1o8t n PHE 14 Cb 0.44 1.33 0.03 0.00 0.35 0.00 0.00 39.48 41.63 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1o8t h LEU 15 N 0.00 0.81 -2.13 -2.13 4.07 -1.97 -2.58 115.31 111.39 1o8t h LEU 15 Ca 0.00 -0.14 0.05 0.00 0.08 0.00 0.00 57.88 57.88 1o8t h LEU 15 Cb 0.00 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1o8t h LEU 15 CO 0.00 0.72 0.15 0.00 -1.08 0.00 0.00 178.44 178.23 1o8t h THR 16 N 0.85 0.72 0.00 0.22 1.03 -1.98 -1.76 112.91 111.99 1o8t h THR 16 Ca 0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.60 1o8t h THR 16 Cb 0.13 0.89 -0.00 0.00 -1.07 0.00 0.00 68.15 68.10 1o8t h THR 16 CO -0.03 0.00 -0.07 1.56 -0.01 0.00 0.00 175.52 176.97 1o8t h GLN 17 N 0.00 0.00 -0.50 0.00 7.50 -1.81 -3.27 115.11 117.03 1o8t h GLN 17 Ca 0.09 0.00 0.15 0.00 0.50 0.00 0.00 58.65 59.38 1o8t h GLN 17 Cb 0.39 0.00 -0.09 0.00 0.05 0.00 0.00 27.48 27.83 1o8t h GLN 17 CO -0.00 0.07 0.05 1.33 -1.50 0.00 0.00 178.83 178.78 1o8t n VAL 18 N -3.99 -0.21 -0.10 -0.54 0.24 -0.66 0.30 118.33 113.37 1o8t n VAL 18 Ca -0.03 1.09 -0.06 0.00 -2.04 0.00 0.00 64.34 63.30 1o8t n VAL 18 Cb 0.16 -1.61 0.01 0.00 -1.47 0.00 0.00 33.84 30.92 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1o8t h LYS 19 N 0.00 -0.08 -0.12 7.34 1.79 -1.83 -0.01 116.57 123.67 1o8t h LYS 19 Ca 0.32 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1o8t h LYS 19 Cb 0.70 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1o8t h LYS 19 CO -0.46 -0.05 -0.14 0.93 -1.08 0.00 0.00 179.45 178.66 1o8t h GLU 20 N -0.08 0.18 -0.59 3.15 3.07 -0.43 -1.81 114.58 118.07 1o8t h GLU 20 Ca 0.18 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1o8t h GLU 20 Cb 0.35 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1o8t h GLU 20 CO -0.41 0.33 0.26 1.03 -1.40 0.00 0.00 179.01 178.82 1o8t h SER 21 N 0.18 0.80 -0.17 1.42 0.87 -0.82 -1.82 113.55 113.99 1o8t h SER 21 Ca 0.04 -0.15 -0.17 0.00 -1.23 0.00 0.00 61.79 60.28 1o8t h SER 21 Cb 0.36 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1o8t h SER 21 CO 0.02 0.72 -0.52 0.25 -0.53 0.00 0.00 176.83 176.77 1o8t h LEU 22 N 0.81 0.84 0.20 2.23 5.85 -0.81 -2.75 115.31 121.68 1o8t h LEU 22 Ca 0.20 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1o8t h LEU 22 Cb 0.16 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1o8t h LEU 22 CO -0.02 1.20 -0.14 0.28 -0.34 0.00 0.00 178.44 179.43 1o8t h SER 23 N 0.59 -0.34 0.38 1.25 0.02 -1.12 0.84 113.55 115.17 1o8t h SER 23 Ca 0.02 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 1.10 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1o8t h SER 23 CO 0.11 -0.22 0.00 0.28 -1.14 0.00 0.00 176.83 175.86 1o8t h SER 24 N -0.33 0.00 0.13 3.07 0.02 -1.38 -2.15 113.55 112.91 1o8t h SER 24 Ca -0.01 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 1o8t h SER 24 Cb 0.29 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.84 1o8t h SER 24 CO 0.01 0.00 -1.09 0.22 -1.14 0.00 0.00 176.83 174.83 1o8t h TYR 25 N 0.00 0.49 -0.45 3.45 5.03 -0.98 -3.35 116.97 121.17 1o8t h TYR 25 Ca 0.00 -0.36 -0.05 0.00 2.58 0.00 0.00 58.73 60.90 1o8t h TYR 25 Cb 0.19 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 1o8t h TYR 25 CO 0.00 1.42 0.07 -1.49 -1.32 0.00 0.00 178.16 176.84 1o8t h TRP 26 N -0.35 0.71 -0.91 -3.82 -0.00 -0.48 0.16 115.95 111.25 1o8t h TRP 26 Ca -0.22 -0.07 0.08 0.00 -0.00 0.00 0.00 58.89 58.69 1o8t h TRP 26 Cb 1.69 -0.21 -0.11 0.00 -0.00 0.00 0.00 29.16 30.53 1o8t h TRP 26 CO 0.16 0.64 -0.58 0.93 -0.00 0.00 0.00 178.44 179.59 1o8t h GLU 27 N 0.66 -0.06 -0.20 0.49 5.08 -1.53 0.07 114.58 119.09 1o8t h GLU 27 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1o8t h GLU 27 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1o8t h GLU 27 CO 0.00 -0.04 0.00 0.43 -1.00 0.00 0.00 179.01 178.40 1o8t n SER 28 N -5.27 2.95 -0.35 1.42 7.64 -1.20 -4.39 113.62 114.43 1o8t n SER 28 Ca 0.01 -1.93 -0.02 0.00 1.01 0.00 0.00 58.87 57.94 1o8t n SER 28 Cb 0.27 -0.12 0.11 0.00 -1.01 0.00 0.00 64.21 63.46 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 4.53 1.25 -0.22 -0.43 0.00 0.11 -2.89 119.26 121.61 1o8t h ALA 29 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1o8t h ALA 29 Cb 0.90 -0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1o8t h ALA 29 CO 0.00 0.65 -0.17 -0.22 0.00 0.00 0.00 179.25 179.52 1o8t h LYS 30 N 1.30 -0.16 -1.02 0.00 3.64 -1.76 -0.06 116.57 118.51 1o8t h LYS 30 Ca 0.34 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.99 1o8t h LYS 30 Cb -0.08 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 31.66 1o8t h LYS 30 CO -0.07 -0.11 0.62 1.15 -2.27 0.00 0.00 179.45 178.77 1o8t h THR 31 N -0.17 0.52 -0.42 1.00 2.02 -1.82 0.39 112.91 114.45 1o8t h THR 31 Ca 0.13 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1o8t h THR 31 Cb 0.36 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1o8t h THR 31 CO -0.32 0.10 0.20 0.00 0.37 0.00 0.00 175.52 175.87 1o8t h ALA 32 N 1.70 0.54 -0.38 6.16 0.00 -1.00 -0.53 119.26 125.75 1o8t h ALA 32 Ca 0.64 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.51 1o8t h ALA 32 Cb 1.32 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1o8t h ALA 32 CO -0.43 0.10 -0.29 0.00 0.00 0.00 0.00 179.25 178.63 1o8t h ALA 33 N 1.04 -0.10 -0.61 0.00 0.00 0.53 0.48 119.26 120.60 1o8t h ALA 33 Ca 0.14 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1o8t h ALA 33 Cb 0.12 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1o8t h ALA 33 CO -0.02 -0.68 0.13 1.96 0.00 0.00 0.00 179.25 180.64 1o8t h GLN 34 N -0.22 0.97 0.00 0.00 7.50 -1.34 -1.95 115.11 120.06 1o8t h GLN 34 Ca 0.18 -0.23 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 1o8t h GLN 34 Cb 0.51 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 1o8t h GLN 34 CO -0.51 0.88 -0.07 -0.97 -1.50 0.00 0.00 178.83 176.66 1o8t h ASN 35 N 0.93 0.00 -0.43 1.46 -1.24 0.74 -1.55 115.58 115.49 1o8t h ASN 35 Ca 0.19 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.26 1o8t h ASN 35 Cb 0.36 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 1o8t h ASN 35 CO 0.00 0.07 0.15 0.25 -1.29 0.00 0.00 177.43 176.61 1o8t h LEU 36 N 0.00 0.15 -0.97 0.34 6.46 0.68 0.16 115.31 122.14 1o8t h LEU 36 Ca -0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.14 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1o8t h LEU 36 CO 0.01 0.12 0.23 1.88 -0.62 0.00 0.00 178.44 180.06 1o8t h TYR 37 N 0.32 0.99 0.46 1.25 0.05 -1.33 -3.05 116.97 115.65 1o8t h TYR 37 Ca 0.20 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 1o8t h TYR 37 Cb 0.19 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 1o8t h TYR 37 CO -0.15 0.78 -0.34 0.93 -1.05 0.00 0.00 178.16 178.32 1o8t h GLU 38 N 0.95 -0.76 0.00 4.88 3.07 -0.32 -2.31 114.58 120.09 1o8t h GLU 38 Ca 0.22 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1o8t h GLU 38 Cb 0.23 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1o8t h GLU 38 CO -0.01 -0.51 0.04 1.17 -1.40 0.00 0.00 179.01 178.30 1o8t n LYS 39 N -5.47 0.14 -0.07 2.33 4.81 0.32 -1.81 118.16 118.41 1o8t n LYS 39 Ca -0.11 0.63 -0.13 0.00 -0.87 0.00 0.00 58.31 57.83 1o8t n LYS 39 Cb 0.36 -1.99 -0.06 0.00 0.02 0.00 0.00 35.03 33.36 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1o8t h THR 40 N 0.00 1.34 -0.11 3.15 2.02 -1.31 -3.29 112.91 114.71 1o8t h THR 40 Ca 0.00 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1o8t h THR 40 Cb 0.09 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1o8t h THR 40 CO 0.00 0.43 0.01 1.88 0.37 0.00 0.00 175.52 178.20 1o8t h TYR 41 N 0.15 0.20 -4.00 3.16 0.05 -1.40 -3.45 116.97 111.68 1o8t h TYR 41 Ca 0.03 -0.03 -0.45 0.00 0.05 0.00 0.00 58.73 58.32 1o8t h TYR 41 Cb 0.78 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 1o8t h TYR 41 CO 0.08 0.41 0.33 -0.51 -1.05 0.00 0.00 178.16 177.43 1o8t s LEU 42 N -9.58 4.04 -0.49 3.88 2.01 -1.19 -4.98 118.68 112.36 1o8t s LEU 42 Ca -0.14 1.70 -0.02 0.00 0.01 0.00 0.00 54.13 55.68 1o8t s LEU 42 Cb 0.05 -4.40 0.27 0.00 0.01 0.00 0.00 46.19 42.12 1o8t s LEU 42 CO 0.70 -0.29 2.17 -0.81 1.01 0.00 0.00 176.35 179.13 1o8t n PRO 43 N -0.36 2.25 0.20 1.29 -0.04 -1.26 -4.62 135.00 132.46 1o8t n PRO 43 Ca 0.06 -2.37 0.14 0.00 -0.04 0.00 0.00 63.50 61.29 1o8t n PRO 43 Cb 0.53 -1.96 0.66 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.94 0.55 0.00 -1.94 -3.30 119.26 116.66 1o8t h ALA 44 Ca 0.42 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.47 1o8t h ALA 44 Cb 0.77 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 1o8t h ALA 44 CO 1.08 0.00 -0.43 0.28 0.00 0.00 0.00 179.25 180.18 1o8t h VAL 45 N 0.00 0.02 -0.10 0.00 2.07 -1.91 0.54 116.25 116.87 1o8t h VAL 45 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 1o8t h VAL 45 Cb 0.24 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1o8t h VAL 45 CO 0.00 0.00 -0.61 -0.78 0.02 0.00 0.00 177.57 176.20 1o8t h ASP 46 N -0.03 0.38 0.11 0.57 3.58 -1.99 -2.92 116.42 116.12 1o8t h ASP 46 Ca 0.29 -0.22 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1o8t h ASP 46 Cb 0.56 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1o8t h ASP 46 CO -0.94 0.90 -0.05 -0.33 -2.88 0.00 0.00 179.24 175.93 1o8t h GLU 47 N 0.25 -0.14 -0.02 0.28 3.07 -1.05 -3.00 114.58 113.97 1o8t h GLU 47 Ca -0.01 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1o8t h GLU 47 Cb 1.13 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1o8t h GLU 47 CO 0.10 0.23 0.02 -0.22 -1.40 0.00 0.00 179.01 177.74 1o8t h LYS 48 N -0.53 0.00 0.52 2.33 3.64 -0.12 0.21 116.57 122.62 1o8t h LYS 48 Ca -0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1o8t h LYS 48 Cb 0.43 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1o8t h LYS 48 CO 0.02 0.00 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.89 1o8t h LEU 49 N 0.00 -0.59 -1.56 5.20 3.38 -1.38 -0.96 115.31 119.41 1o8t h LEU 49 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1o8t h LEU 49 Cb 0.06 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1o8t h LEU 49 CO -0.00 -0.37 -0.07 -0.09 0.09 0.00 0.00 178.44 178.00 1o8t h ARG 50 N -0.80 0.20 0.31 1.13 9.65 -1.41 -2.29 114.38 121.16 1o8t h ARG 50 Ca -0.07 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1o8t h ARG 50 Cb 0.53 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.06 1o8t h ARG 50 CO 0.12 0.28 -0.33 0.22 2.80 0.00 0.00 179.97 183.06 1o8t h ASP 51 N 0.19 -0.88 0.37 -3.80 3.58 -0.48 -0.58 116.42 114.81 1o8t h ASP 51 Ca 0.04 0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 1o8t h ASP 51 Cb 0.25 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1o8t h ASP 51 CO 0.01 -0.46 -0.20 0.25 -2.88 0.00 0.00 179.24 175.97 1o8t h LEU 52 N -0.67 0.00 -0.29 2.28 5.85 -0.99 -2.84 115.31 118.66 1o8t h LEU 52 Ca -0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1o8t h LEU 52 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1o8t h LEU 52 CO -0.07 0.20 -0.08 1.88 -0.34 0.00 0.00 178.44 180.03 1o8t h TYR 53 N 0.00 0.63 -0.11 1.25 0.05 -0.79 -0.69 116.97 117.31 1o8t h TYR 53 Ca -0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 1o8t h TYR 53 Cb 0.44 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 1o8t h TYR 53 CO 0.00 0.76 0.07 0.77 -1.05 0.00 0.00 178.16 178.70 1o8t h SER 54 N 0.31 0.14 -0.22 3.88 0.02 -0.90 -2.03 113.55 114.75 1o8t h SER 54 Ca 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1o8t h SER 54 Cb 0.56 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1o8t h SER 54 CO 0.03 0.16 0.12 0.11 -1.14 0.00 0.00 176.83 176.10 1o8t h LYS 55 N 0.11 0.31 0.00 3.45 1.57 -1.52 -2.51 116.57 117.98 1o8t h LYS 55 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1o8t h LYS 55 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1o8t h LYS 55 CO -0.01 0.30 0.00 0.66 -0.57 0.00 0.00 179.45 179.83 1o8t h SER 56 N 0.24 0.00 0.39 0.86 4.64 -0.99 -2.03 113.55 116.66 1o8t h SER 56 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1o8t h SER 56 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1o8t h SER 56 CO -0.01 0.00 -0.27 0.74 -0.87 0.00 0.00 176.83 176.42 1o8t h THR 57 N 0.00 0.44 0.11 2.95 2.02 -0.89 -0.90 112.91 116.63 1o8t h THR 57 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1o8t h THR 57 Cb 0.12 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1o8t h THR 57 CO 0.00 0.00 -1.65 0.00 0.37 0.00 0.00 175.52 174.24 1o8t h ALA 58 N -0.09 0.29 0.74 6.16 0.00 -1.69 -3.27 119.26 121.40 1o8t h ALA 58 Ca -0.04 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.60 1o8t h ALA 58 Cb 0.54 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1o8t h ALA 58 CO 0.02 1.02 -0.36 0.00 0.00 0.00 0.00 179.25 179.93 1o8t h ALA 59 N -0.06 -1.14 0.00 0.00 0.00 -1.46 -3.09 119.26 113.51 1o8t h ALA 59 Ca -0.36 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 1o8t h ALA 59 Cb 1.83 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 1o8t h ALA 59 CO 0.04 -1.07 -0.01 1.98 0.00 0.00 0.00 179.25 180.19 1o8t h MET 60 N -1.11 0.00 0.00 0.00 4.05 -1.34 -2.13 114.93 114.40 1o8t h MET 60 Ca -0.10 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1o8t h MET 60 Cb 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1o8t h MET 60 CO 0.17 0.01 0.00 1.03 0.23 0.00 0.00 176.91 178.35 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.51 -0.29 113.55 114.01 1o8t h SER 61 Ca -0.00 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 60.13 1o8t h SER 61 Cb 0.10 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 1o8t h SER 61 CO 0.00 0.00 -2.42 0.35 -0.53 0.00 0.00 176.83 174.23 1o8t n THR 62 N -2.77 1.45 0.30 2.23 -2.24 -0.81 -4.34 114.28 108.10 1o8t n THR 62 Ca 0.00 -0.35 0.18 0.00 -2.27 0.00 0.00 64.05 61.61 1o8t n THR 62 Cb 0.21 -1.88 0.85 0.00 -2.10 0.00 0.00 70.33 67.41 1o8t n THR 62 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o8t h TYR 63 N -0.95 0.00 0.44 4.78 3.20 -1.56 -1.00 116.97 121.88 1o8t h TYR 63 Ca -0.65 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.20 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1o8t h TYR 63 CO -0.10 0.00 -0.21 1.15 -1.64 0.00 0.00 178.16 177.36 1o8t h THR 64 N 0.00 0.27 -0.66 1.81 2.02 -1.25 0.64 112.91 115.74 1o8t h THR 64 Ca 0.00 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 1o8t h THR 64 Cb 0.24 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1o8t h THR 64 CO 0.00 0.06 0.19 1.23 0.37 0.00 0.00 175.52 177.37 1o8t h GLY 65 N -1.05 1.11 0.82 2.16 0.00 -1.72 -0.87 103.07 103.51 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 0.10 0.61 -0.39 -2.22 0.00 0.00 0.00 176.54 174.63 1o8t h ILE 66 N 0.99 0.00 -0.29 2.60 2.04 -1.21 0.10 117.51 121.74 1o8t h ILE 66 Ca 0.22 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1o8t h ILE 66 Cb 0.30 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.31 1o8t h ILE 66 CO -0.01 0.00 -0.26 0.15 0.00 0.00 0.00 178.15 178.04 1o8t h PHE 67 N -1.28 -0.69 0.00 1.37 3.57 0.34 0.64 116.94 120.88 1o8t h PHE 67 Ca -0.11 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1o8t h PHE 67 Cb 0.85 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 1o8t h PHE 67 CO 0.00 -0.33 -0.09 1.15 -2.23 0.00 0.00 178.31 176.81 1o8t h THR 68 N -0.24 0.45 0.31 4.41 2.02 -1.19 -2.75 112.91 115.92 1o8t h THR 68 Ca 0.15 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1o8t h THR 68 Cb 0.48 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1o8t h THR 68 CO -0.43 0.09 -0.28 -0.78 0.37 0.00 0.00 175.52 174.49 1o8t h ASP 69 N 0.00 -0.74 0.69 4.18 3.58 0.16 0.18 116.42 124.47 1o8t h ASP 69 Ca -0.00 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1o8t h ASP 69 Cb 0.31 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1o8t h ASP 69 CO 0.01 -0.41 -0.29 1.56 -2.88 0.00 0.00 179.24 177.23 1o8t h GLN 70 N -0.61 0.00 0.29 0.28 7.50 -1.38 -1.83 115.11 119.35 1o8t h GLN 70 Ca -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 1o8t h GLN 70 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 1o8t h GLN 70 CO -0.04 0.29 -0.14 0.28 -1.50 0.00 0.00 178.83 177.72 1o8t h VAL 71 N 0.00 0.71 -0.66 -0.54 2.07 -1.13 -2.69 116.25 114.00 1o8t h VAL 71 Ca -0.00 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1o8t h VAL 71 Cb 0.71 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1o8t h VAL 71 CO 0.04 0.13 0.44 -0.07 0.02 0.00 0.00 177.57 178.12 1o8t h LEU 72 N -0.78 0.53 -1.79 2.57 4.07 -0.61 0.28 115.31 119.58 1o8t h LEU 72 Ca -0.04 0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.99 1o8t h LEU 72 Cb 0.51 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1o8t h LEU 72 CO 0.06 0.33 0.26 -1.28 -1.08 0.00 0.00 178.44 176.74 1o8t h SER 73 N 0.60 0.23 0.87 -0.43 0.87 -1.12 0.14 113.55 114.71 1o8t h SER 73 Ca 0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1o8t h SER 73 Cb 0.37 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1o8t h SER 73 CO -0.09 0.15 -0.26 0.58 -0.53 0.00 0.00 176.83 176.67 1o8t h VAL 74 N 0.26 0.65 -0.43 2.23 2.07 -0.61 -2.81 116.25 117.61 1o8t h VAL 74 Ca 0.17 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.43 1o8t h VAL 74 Cb 0.35 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1o8t h VAL 74 CO -0.03 0.26 0.02 0.25 0.02 0.00 0.00 177.57 178.08 1o8t h LEU 75 N 0.00 0.66 -1.00 2.57 7.12 -0.66 -2.39 115.31 121.61 1o8t h LEU 75 Ca -0.00 -0.14 -0.09 0.00 0.13 0.00 0.00 57.88 57.78 1o8t h LEU 75 Cb 0.77 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 1o8t h LEU 75 CO 0.03 0.72 -0.41 0.50 -0.13 0.00 0.00 178.44 179.15 1o8t h LYS 76 N 0.66 0.00 -1.05 1.25 3.64 -1.43 -3.14 116.57 116.49 1o8t h LYS 76 Ca 0.14 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.35 1o8t h LYS 76 Cb 0.38 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.11 1o8t h LYS 76 CO 0.01 0.41 0.22 0.41 -2.27 0.00 0.00 179.45 178.23 1o8t n GLY 77 N 0.09 2.86 2.93 5.01 0.00 -0.93 -4.82 105.19 110.33 1o8t n GLY 77 Ca -0.01 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1o8t n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8t n GLU 78 N 0.03 -4.50 0.00 1.61 4.71 -1.19 -5.07 120.64 116.24 1o8t n GLU 78 Ca 0.19 0.94 0.00 0.00 -0.01 0.00 0.00 57.16 58.28 1o8t n GLU 78 Cb 0.85 -5.78 0.00 0.00 -1.01 0.00 0.00 31.44 25.50 1o8t n GLU 78 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61