#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8t h GLN 2 N 0.00 0.83 -2.92 -0.78 3.07 -2.09 -3.33 115.11 109.89 1o8t h GLN 2 Ca 0.00 -0.08 -0.61 0.00 0.09 0.00 0.00 58.65 58.05 1o8t h GLN 2 Cb 0.00 -0.17 -0.40 0.00 0.08 0.00 0.00 27.48 26.99 1o8t h GLN 2 CO 0.00 0.60 -0.74 -0.65 0.09 0.00 0.00 178.83 178.13 1o8t s GLN 3 N -5.59 1.54 -0.32 0.06 -1.52 -1.26 -5.01 119.66 107.57 1o8t s GLN 3 Ca -0.10 -2.38 -0.07 0.00 -1.95 0.00 0.00 55.36 50.86 1o8t s GLN 3 Cb 0.17 -2.49 -0.21 0.00 -0.22 0.00 0.00 33.01 30.26 1o8t s GLN 3 CO 0.77 -1.23 3.45 -0.35 -0.25 0.00 0.00 175.29 177.68 1o8t n PRO 4 N 3.01 2.34 -0.04 2.91 -0.04 -1.25 -4.48 135.00 137.45 1o8t n PRO 4 Ca 0.15 -1.32 -0.15 0.00 -0.04 0.00 0.00 63.50 62.14 1o8t n PRO 4 Cb 0.37 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1o8t n PRO 4 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1o8t h GLN 5 N 3.35 0.40 0.00 0.54 7.50 -1.95 -3.16 115.11 121.79 1o8t h GLN 5 Ca 0.32 -0.30 -0.07 0.00 0.50 0.00 0.00 58.65 59.10 1o8t h GLN 5 Cb 1.25 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.82 1o8t h GLN 5 CO 0.55 0.92 -0.35 -0.56 -1.50 0.00 0.00 178.83 177.89 1o8t h GLN 6 N -0.03 0.00 -5.79 1.46 -0.00 -2.05 -3.39 115.11 105.31 1o8t h GLN 6 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.29 1o8t h GLN 6 Cb 0.95 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 28.38 1o8t h GLN 6 CO 0.07 0.35 0.87 -0.51 -0.00 0.00 0.00 178.83 179.61 1o8t s ASP 7 N -6.77 5.34 0.00 0.06 1.01 -1.20 -4.84 116.67 110.27 1o8t s ASP 7 Ca -0.02 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.52 1o8t s ASP 7 Cb 0.14 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1o8t s ASP 7 CO 0.70 -2.55 0.38 -1.84 0.21 0.00 0.00 175.17 172.07 1o8t n GLU 8 N 8.88 0.00 -0.09 8.23 0.28 -1.26 -3.30 120.64 133.39 1o8t n GLU 8 Ca 0.38 0.28 -0.13 0.00 -0.16 0.00 0.00 57.16 57.53 1o8t n GLU 8 Cb 0.48 -1.03 -0.05 0.00 1.43 0.00 0.00 31.44 32.27 1o8t n GLU 8 CO 0.00 0.00 0.00 1.98 -0.16 0.00 0.00 177.13 178.95 1o8t h MET 9 N 0.00 0.60 -0.10 3.44 4.05 -1.90 -3.21 114.93 117.80 1o8t h MET 9 Ca 0.00 -0.29 0.03 0.00 -0.28 0.00 0.00 59.70 59.16 1o8t h MET 9 Cb 0.00 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1o8t h MET 9 CO 0.00 0.88 0.24 -1.35 0.23 0.00 0.00 176.91 176.91 1o8t h PRO 10 N 0.32 0.00 0.07 0.39 0.11 -1.96 -3.18 132.00 127.76 1o8t h PRO 10 Ca 0.05 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1o8t h PRO 10 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1o8t h PRO 10 CO 0.05 0.00 -0.03 0.77 -0.21 0.00 0.00 178.00 178.58 1o8t h SER 11 N 0.00 -0.08 -4.09 -2.05 0.02 -1.55 -3.47 113.55 102.33 1o8t h SER 11 Ca 0.05 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.50 1o8t h SER 11 Cb 0.52 0.02 0.04 0.00 0.14 0.00 0.00 62.40 63.13 1o8t h SER 11 CO -0.00 0.01 0.31 -2.16 -1.14 0.00 0.00 176.83 173.85 1o8t s PRO 12 N -1.99 3.63 -0.85 3.45 0.04 -1.20 -4.97 135.00 133.12 1o8t s PRO 12 Ca -0.01 0.61 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 1o8t s PRO 12 Cb 0.00 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1o8t s PRO 12 CO 0.04 -0.41 1.81 0.99 0.04 0.00 0.00 177.00 179.47 1o8t s THR 13 N -2.95 3.52 0.14 1.26 2.01 -1.26 -4.57 115.64 113.78 1o8t s THR 13 Ca 0.53 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1o8t s THR 13 Cb -0.11 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.19 1o8t s THR 13 CO 0.48 -1.15 0.00 0.49 -0.69 0.00 0.00 174.62 173.75 1o8t n PHE 14 N 12.63 -0.61 -0.09 4.92 3.01 -1.26 -4.61 117.46 131.45 1o8t n PHE 14 Ca 0.32 0.11 -0.10 0.00 1.01 0.00 0.00 57.45 58.79 1o8t n PHE 14 Cb 0.49 0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1o8t h LEU 15 N 0.00 0.37 -1.09 4.37 5.85 -1.82 -2.36 115.31 120.63 1o8t h LEU 15 Ca 0.00 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.65 1o8t h LEU 15 Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 1o8t h LEU 15 CO 0.00 0.39 0.61 0.74 -0.34 0.00 0.00 178.44 179.85 1o8t h THR 16 N 0.32 1.10 -0.09 1.05 2.02 -1.90 -2.54 112.91 112.86 1o8t h THR 16 Ca 0.10 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1o8t h THR 16 Cb 0.12 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1o8t h THR 16 CO -0.01 0.20 0.05 -0.61 0.37 0.00 0.00 175.52 175.52 1o8t h GLN 17 N 1.11 0.13 -0.50 6.66 -0.00 -1.74 -3.22 115.11 117.55 1o8t h GLN 17 Ca 0.40 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 59.11 1o8t h GLN 17 Cb 0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 27.48 27.52 1o8t h GLN 17 CO -0.15 0.19 -0.19 0.28 0.00 0.00 0.00 178.83 178.97 1o8t n VAL 18 N -4.96 -0.26 -0.06 2.39 0.31 -0.92 0.53 118.33 115.37 1o8t n VAL 18 Ca -0.06 1.16 -0.08 0.00 -0.01 0.00 0.00 64.34 65.36 1o8t n VAL 18 Cb 0.08 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 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 -0.20 0.00 5.55 6.56 -1.67 -0.40 116.57 126.41 1o8t h LYS 19 Ca 0.18 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.74 1o8t h LYS 19 Cb 0.30 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 1o8t h LYS 19 CO -0.49 -0.13 -0.20 0.93 -2.06 0.00 0.00 179.45 177.49 1o8t h GLU 20 N -0.20 0.00 -0.83 3.15 3.07 -0.08 -2.47 114.58 117.21 1o8t h GLU 20 Ca 0.14 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1o8t h GLU 20 Cb 0.43 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.30 1o8t h GLU 20 CO -0.38 0.20 0.37 0.66 -1.40 0.00 0.00 179.01 178.46 1o8t h SER 21 N 0.00 1.12 -0.06 1.42 4.64 0.24 -2.23 113.55 118.67 1o8t h SER 21 Ca -0.00 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.00 1o8t h SER 21 Cb 0.37 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 21 CO 0.03 0.96 -0.53 0.25 -0.87 0.00 0.00 176.83 176.66 1o8t h LEU 22 N 1.20 0.71 0.19 5.97 5.85 -0.92 -2.79 115.31 125.52 1o8t h LEU 22 Ca 0.28 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1o8t h LEU 22 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1o8t h LEU 22 CO -0.03 1.11 -0.12 0.28 -0.34 0.00 0.00 178.44 179.33 1o8t h SER 23 N 0.50 -0.31 0.38 1.25 0.02 -1.17 -0.68 113.55 113.53 1o8t h SER 23 Ca 0.01 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 1.09 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1o8t h SER 23 CO 0.11 -0.20 0.00 0.28 -1.14 0.00 0.00 176.83 175.88 1o8t h SER 24 N -0.31 0.00 0.17 3.07 0.02 -1.44 -2.41 113.55 112.65 1o8t h SER 24 Ca -0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.69 1o8t h SER 24 Cb 0.26 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.83 1o8t h SER 24 CO 0.01 0.00 -1.05 0.22 -1.14 0.00 0.00 176.83 174.86 1o8t h TYR 25 N 0.00 0.74 -0.51 3.45 5.03 -0.99 -3.32 116.97 121.37 1o8t h TYR 25 Ca 0.00 -0.52 -0.05 0.00 2.58 0.00 0.00 58.73 60.74 1o8t h TYR 25 Cb 0.19 -0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1o8t h TYR 25 CO 0.00 1.40 0.11 -1.49 -1.32 0.00 0.00 178.16 176.86 1o8t h TRP 26 N -0.13 0.82 -0.91 -3.82 -0.00 -0.68 0.07 115.95 111.29 1o8t h TRP 26 Ca -0.18 -0.08 0.09 0.00 -0.00 0.00 0.00 58.89 58.72 1o8t h TRP 26 Cb 1.82 -0.24 -0.12 0.00 -0.00 0.00 0.00 29.16 30.62 1o8t h TRP 26 CO 0.17 0.70 -0.56 0.93 -0.00 0.00 0.00 178.44 179.67 1o8t h GLU 27 N 0.76 -0.06 -0.02 0.49 3.07 -1.57 0.58 114.58 117.84 1o8t h GLU 27 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 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 0.00 -0.04 -0.19 0.43 -1.40 0.00 0.00 179.01 177.81 1o8t n SER 28 N -5.29 1.82 -0.06 1.42 7.64 -1.20 -4.27 113.62 113.68 1o8t n SER 28 Ca 0.02 -1.44 0.02 0.00 1.01 0.00 0.00 58.87 58.49 1o8t n SER 28 Cb 0.29 0.16 0.35 0.00 -1.01 0.00 0.00 64.21 64.00 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 4.12 1.59 -0.23 -0.43 0.00 0.12 -2.88 119.26 121.55 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 0.67 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1o8t h ALA 29 CO 0.00 0.36 -0.16 -0.22 0.00 0.00 0.00 179.25 179.23 1o8t h LYS 30 N 0.68 -0.15 -1.02 0.00 3.64 -1.72 -0.12 116.57 117.89 1o8t h LYS 30 Ca 0.18 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.82 1o8t h LYS 30 Cb -0.02 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 31.72 1o8t h LYS 30 CO -0.03 -0.10 0.62 1.15 -2.27 0.00 0.00 179.45 178.82 1o8t h THR 31 N -0.15 0.53 -0.57 1.00 2.02 -1.81 0.40 112.91 114.33 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 0.35 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1o8t h THR 31 CO -0.32 0.10 0.27 0.00 0.37 0.00 0.00 175.52 175.93 1o8t h ALA 32 N 1.70 0.73 -0.19 6.16 0.00 -1.08 -0.76 119.26 125.83 1o8t h ALA 32 Ca 0.64 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.46 1o8t h ALA 32 Cb 1.32 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1o8t h ALA 32 CO -0.43 0.30 -0.45 0.00 0.00 0.00 0.00 179.25 178.67 1o8t h ALA 33 N 1.10 -0.62 -0.43 0.00 0.00 0.46 0.51 119.26 120.28 1o8t h ALA 33 Ca 0.19 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1o8t h ALA 33 Cb 0.13 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1o8t h ALA 33 CO -0.02 -0.95 0.02 0.37 0.00 0.00 0.00 179.25 178.66 1o8t h GLN 34 N -0.48 0.69 -0.03 0.00 4.15 -1.45 -1.93 115.11 116.06 1o8t h GLN 34 Ca 0.08 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1o8t h GLN 34 Cb 0.63 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1o8t h GLN 34 CO -0.45 0.69 -0.07 -0.97 -1.93 0.00 0.00 178.83 176.11 1o8t h ASN 35 N 0.65 0.03 -0.45 -0.69 -1.24 0.43 -1.47 115.58 112.85 1o8t h ASN 35 Ca 0.13 -0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.20 1o8t h ASN 35 Cb 0.38 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 1o8t h ASN 35 CO 0.01 0.11 0.17 0.25 -1.29 0.00 0.00 177.43 176.68 1o8t h LEU 36 N 0.04 0.19 -1.00 0.34 6.46 0.79 0.14 115.31 122.26 1o8t h LEU 36 Ca 0.01 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.77 1o8t h LEU 36 Cb 0.15 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1o8t h LEU 36 CO 0.01 0.14 0.21 0.22 -0.62 0.00 0.00 178.44 178.40 1o8t h TYR 37 N 0.34 0.95 -0.04 1.25 5.03 -1.32 -2.94 116.97 120.24 1o8t h TYR 37 Ca 0.21 -0.07 0.02 0.00 2.58 0.00 0.00 58.73 61.46 1o8t h TYR 37 Cb 0.19 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1o8t h TYR 37 CO -0.15 0.75 -0.06 0.93 -1.32 0.00 0.00 178.16 178.31 1o8t h GLU 38 N 0.90 -0.09 0.00 1.82 4.39 -0.08 -2.07 114.58 119.46 1o8t h GLU 38 Ca 0.21 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1o8t h GLU 38 Cb 0.23 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1o8t h GLU 38 CO -0.01 -0.06 0.07 -0.22 -1.16 0.00 0.00 179.01 177.63 1o8t h LYS 39 N -0.09 0.00 0.01 2.33 3.11 -0.66 -1.16 116.57 120.11 1o8t h LYS 39 Ca 0.04 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.63 1o8t h LYS 39 Cb 0.15 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1o8t h LYS 39 CO -0.10 0.00 -1.02 1.79 -2.81 0.00 0.00 179.45 177.31 1o8t h THR 40 N 0.00 1.32 0.17 1.00 1.35 -1.35 -3.33 112.91 112.08 1o8t h THR 40 Ca 0.00 -2.34 -0.01 0.00 -0.55 0.00 0.00 66.41 63.51 1o8t h THR 40 Cb 0.14 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1o8t h THR 40 CO 0.00 0.71 -0.08 1.88 -0.25 0.00 0.00 175.52 177.78 1o8t h TYR 41 N 0.33 -0.22 -3.74 4.73 0.05 -1.24 -3.44 116.97 113.44 1o8t h TYR 41 Ca -0.12 -0.01 -0.49 0.00 0.05 0.00 0.00 58.73 58.17 1o8t h TYR 41 Cb 1.67 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 39.46 1o8t h TYR 41 CO 0.09 0.09 0.17 -0.51 -1.05 0.00 0.00 178.16 176.95 1o8t s LEU 42 N -9.60 4.20 -0.39 3.88 1.02 -1.16 -4.99 118.68 111.64 1o8t s LEU 42 Ca -0.15 1.48 0.00 0.00 0.02 0.00 0.00 54.13 55.48 1o8t s LEU 42 Cb 0.03 -3.95 0.36 0.00 0.02 0.00 0.00 46.19 42.65 1o8t s LEU 42 CO 0.61 -0.11 1.86 -0.81 0.02 0.00 0.00 176.35 177.91 1o8t n PRO 43 N 0.16 2.01 0.19 1.29 -0.04 -1.26 -4.55 135.00 132.80 1o8t n PRO 43 Ca 0.02 -2.12 0.14 0.00 -0.04 0.00 0.00 63.50 61.49 1o8t n PRO 43 Cb 0.52 -1.83 0.65 0.00 -0.04 0.00 0.00 33.50 32.80 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 1.53 1.00 -0.96 0.55 0.00 -1.94 -3.27 119.26 116.17 1o8t h ALA 44 Ca 0.42 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.60 1o8t h ALA 44 Cb 1.43 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.05 1o8t h ALA 44 CO 0.94 0.00 0.09 -0.39 0.00 0.00 0.00 179.25 179.89 1o8t h VAL 45 N 0.00 0.08 0.14 0.00 -1.51 -1.89 0.52 116.25 113.58 1o8t h VAL 45 Ca 0.00 -0.01 -0.29 0.00 -1.23 0.00 0.00 66.70 65.16 1o8t h VAL 45 Cb 0.24 0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1o8t h VAL 45 CO 0.00 0.01 -1.38 0.44 -1.23 0.00 0.00 177.57 175.41 1o8t h ASP 46 N 0.04 0.46 0.46 4.19 3.32 -1.98 -3.16 116.42 119.74 1o8t h ASP 46 Ca 0.60 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1o8t h ASP 46 Cb 1.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1o8t h ASP 46 CO -0.86 1.43 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.54 1o8t h GLU 47 N 0.08 -0.59 -0.08 3.56 3.07 -0.97 -3.04 114.58 116.60 1o8t h GLU 47 Ca -0.19 0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1o8t h GLU 47 Cb 2.01 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 30.05 1o8t h GLU 47 CO 0.20 -0.29 0.13 -0.22 -1.40 0.00 0.00 179.01 177.43 1o8t h LYS 48 N -1.00 0.00 0.41 2.33 3.64 -0.28 0.12 116.57 121.79 1o8t h LYS 48 Ca -0.06 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 1o8t h LYS 48 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1o8t h LYS 48 CO 0.10 0.00 -0.20 1.25 -2.27 0.00 0.00 179.45 178.34 1o8t h LEU 49 N 0.00 -0.46 -1.49 5.20 5.85 -1.50 -0.17 115.31 122.74 1o8t h LEU 49 Ca 0.04 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1o8t h LEU 49 Cb 0.30 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1o8t h LEU 49 CO -0.00 -0.29 -0.04 0.03 -0.34 0.00 0.00 178.44 177.80 1o8t h ARG 50 N -0.63 0.28 0.31 1.25 -0.00 -1.42 0.42 114.38 114.59 1o8t h ARG 50 Ca -0.06 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 1o8t h ARG 50 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.32 1o8t h ARG 50 CO 0.09 0.34 -0.33 0.22 0.00 0.00 0.00 179.97 180.29 1o8t h ASP 51 N 0.28 -0.90 1.49 7.04 3.58 -0.68 -2.22 116.42 125.00 1o8t h ASP 51 Ca 0.06 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1o8t h ASP 51 Cb 0.25 0.31 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1o8t h ASP 51 CO 0.01 -0.46 0.00 -0.07 -2.88 0.00 0.00 179.24 175.84 1o8t h LEU 52 N -0.68 0.00 -0.11 2.28 3.38 -0.85 -3.30 115.31 116.03 1o8t h LEU 52 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1o8t h LEU 52 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1o8t h LEU 52 CO -0.07 0.00 -0.03 1.88 0.09 0.00 0.00 178.44 180.31 1o8t h TYR 53 N 0.00 0.24 0.05 1.13 -1.99 -0.42 0.52 116.97 116.51 1o8t h TYR 53 Ca 0.00 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1o8t h TYR 53 Cb 0.74 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1o8t h TYR 53 CO 0.00 0.52 -0.03 0.77 -0.00 0.00 0.00 178.16 179.42 1o8t h SER 54 N -0.10 -0.06 -0.60 3.88 0.02 -1.49 -0.15 113.55 115.04 1o8t h SER 54 Ca 0.03 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1o8t h SER 54 Cb 0.44 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1o8t h SER 54 CO 0.01 0.01 0.32 0.11 -1.14 0.00 0.00 176.83 176.14 1o8t h LYS 55 N -0.12 0.84 -0.15 3.45 1.57 -1.64 -2.57 116.57 117.96 1o8t h LYS 55 Ca -0.01 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1o8t h LYS 55 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1o8t h LYS 55 CO 0.01 0.65 0.07 1.03 -0.57 0.00 0.00 179.45 180.64 1o8t h SER 56 N 0.82 0.20 -0.91 0.86 0.87 -0.72 -2.63 113.55 112.03 1o8t h SER 56 Ca 0.21 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1o8t h SER 56 Cb 0.05 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 1o8t h SER 56 CO -0.03 0.29 0.60 0.74 -0.53 0.00 0.00 176.83 177.89 1o8t h THR 57 N 0.10 1.11 0.83 2.23 2.02 -0.93 0.31 112.91 118.59 1o8t h THR 57 Ca 0.05 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1o8t h THR 57 Cb 0.14 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.48 1o8t h THR 57 CO -0.01 0.20 -0.40 0.00 0.37 0.00 0.00 175.52 175.69 1o8t h ALA 58 N 1.49 -1.11 -0.52 6.16 0.00 -1.30 -2.24 119.26 121.73 1o8t h ALA 58 Ca 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1o8t h ALA 58 Cb 0.10 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1o8t h ALA 58 CO -0.13 -1.07 0.24 0.00 0.00 0.00 0.00 179.25 178.29 1o8t h ALA 59 N -1.11 0.67 0.00 0.00 0.00 -1.33 -2.40 119.26 115.08 1o8t h ALA 59 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1o8t h ALA 59 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1o8t h ALA 59 CO 0.19 0.25 0.00 -0.12 0.00 0.00 0.00 179.25 179.56 1o8t n MET 60 N -4.58 0.14 0.29 0.00 0.00 0.11 -1.99 117.12 111.10 1o8t n MET 60 Ca 0.02 0.59 0.19 0.00 0.00 0.00 0.00 57.70 58.50 1o8t n MET 60 Cb 0.13 -1.91 0.84 0.00 0.00 0.00 0.00 33.22 32.28 1o8t n MET 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1o8t h SER 61 N 0.00 0.00 0.00 6.12 0.87 -0.86 -0.23 113.55 119.45 1o8t h SER 61 Ca 0.00 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.16 1o8t h SER 61 Cb 0.06 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 1o8t h SER 61 CO 0.00 0.00 -2.35 0.35 -0.53 0.00 0.00 176.83 174.30 1o8t n THR 62 N -3.05 1.33 0.28 2.23 -2.24 -0.84 -4.42 114.28 107.58 1o8t n THR 62 Ca -0.00 -0.37 0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1o8t n THR 62 Cb 0.23 -1.74 0.52 0.00 -2.10 0.00 0.00 70.33 67.24 1o8t n THR 62 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1o8t n TYR 63 N -3.93 0.75 0.23 4.78 4.01 -1.19 -1.53 117.16 120.28 1o8t n TYR 63 Ca -0.47 0.34 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 1o8t n TYR 63 Cb 0.86 -1.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.79 1o8t n TYR 63 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1o8t h THR 64 N 0.00 0.17 -0.42 -0.72 2.02 -1.24 0.57 112.91 113.28 1o8t h THR 64 Ca 0.00 -0.55 -0.08 0.00 0.77 0.00 0.00 66.41 66.55 1o8t h THR 64 Cb 0.19 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1o8t h THR 64 CO 0.00 0.03 -0.08 1.23 0.37 0.00 0.00 175.52 177.07 1o8t h GLY 65 N -1.11 0.80 0.83 2.16 0.00 -1.75 -1.99 103.07 102.00 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 -0.30 -2.22 0.00 0.00 0.00 176.54 174.66 1o8t h ILE 66 N 0.68 0.30 -0.25 2.60 2.04 -1.31 0.56 117.51 122.13 1o8t h ILE 66 Ca 0.12 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1o8t h ILE 66 Cb 0.54 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 1o8t h ILE 66 CO 0.03 0.03 -0.30 0.15 0.00 0.00 0.00 178.15 178.06 1o8t h PHE 67 N -1.01 -0.81 0.00 1.37 3.57 0.19 0.50 116.94 120.74 1o8t h PHE 67 Ca -0.08 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.68 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1o8t h PHE 67 CO -0.00 -0.37 -0.09 1.79 -2.23 0.00 0.00 178.31 177.40 1o8t h THR 68 N -0.31 0.47 0.36 4.41 1.35 -1.39 -2.73 112.91 115.08 1o8t h THR 68 Ca 0.13 -0.46 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1o8t h THR 68 Cb 0.52 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1o8t h THR 68 CO -0.42 0.09 -0.30 -0.78 -0.25 0.00 0.00 175.52 173.86 1o8t h ASP 69 N 0.00 -0.79 0.66 5.36 3.58 0.14 0.25 116.42 125.62 1o8t h ASP 69 Ca -0.00 0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 1o8t h ASP 69 Cb 0.30 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1o8t h ASP 69 CO 0.01 -0.44 -0.33 1.56 -2.88 0.00 0.00 179.24 177.16 1o8t h GLN 70 N -0.66 0.00 0.23 0.28 7.50 -1.39 -1.85 115.11 119.22 1o8t h GLN 70 Ca -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1o8t h GLN 70 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 1o8t h GLN 70 CO -0.02 0.33 -0.11 0.28 -1.50 0.00 0.00 178.83 177.80 1o8t h VAL 71 N 0.00 0.82 -0.74 -0.54 2.07 -1.13 -2.18 116.25 114.54 1o8t h VAL 71 Ca -0.00 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.87 1o8t h VAL 71 Cb 0.75 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1o8t h VAL 71 CO 0.04 0.15 0.49 0.25 0.02 0.00 0.00 177.57 178.52 1o8t h LEU 72 N -0.71 0.65 -1.03 2.57 5.85 -0.48 -0.04 115.31 122.12 1o8t h LEU 72 Ca -0.03 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1o8t h LEU 72 Cb 0.49 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1o8t h LEU 72 CO 0.05 0.41 0.65 -1.28 -0.34 0.00 0.00 178.44 177.93 1o8t h SER 73 N 0.73 1.05 0.98 1.25 0.87 -1.12 0.99 113.55 118.30 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 0.33 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1o8t h SER 73 CO -0.11 0.69 0.00 0.58 -0.53 0.00 0.00 176.83 177.45 1o8t h VAL 74 N 1.20 0.00 -0.66 2.23 2.07 -0.36 -2.94 116.25 117.79 1o8t h VAL 74 Ca 0.42 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1o8t h VAL 74 Cb 0.10 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1o8t h VAL 74 CO -0.15 0.00 0.15 0.25 0.02 0.00 0.00 177.57 177.84 1o8t h LEU 75 N 0.00 0.99 -0.31 2.57 5.85 -0.42 0.23 115.31 124.23 1o8t h LEU 75 Ca 0.00 -0.20 -0.18 0.00 0.84 0.00 0.00 57.88 58.33 1o8t h LEU 75 Cb 0.49 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1o8t h LEU 75 CO 0.00 0.95 -0.54 0.11 -0.34 0.00 0.00 178.44 178.63 1o8t h LYS 76 N 0.99 0.89 0.00 1.25 1.57 -1.51 -2.84 116.57 116.92 1o8t h LYS 76 Ca 0.21 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1o8t h LYS 76 Cb 0.36 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1o8t h LYS 76 CO 0.00 1.19 0.00 0.41 -0.57 0.00 0.00 179.45 180.49 1o8t n GLY 77 N 0.35 -1.30 2.15 3.86 0.00 -1.08 -4.72 105.19 104.44 1o8t n GLY 77 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.96 1.10 -0.80 1.61 1.02 -0.68 -5.12 120.64 116.81 1o8t n GLU 78 Ca 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 1o8t n GLU 78 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1o8t n GLU 78 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70