#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 3.77 -0.44 1.09 -0.44 -1.26 -5.06 119.66 117.32 1o8t s GLN 2 Ca 0.00 0.18 0.05 0.00 -2.50 0.00 0.00 55.36 53.09 1o8t s GLN 2 Cb 0.00 -2.86 0.18 0.00 -1.64 0.00 0.00 33.01 28.69 1o8t s GLN 2 CO 0.00 0.46 0.45 0.00 0.50 0.00 0.00 175.29 176.70 1o8t n GLN 3 N 0.43 0.30 0.05 1.67 0.00 -1.26 -4.99 117.38 113.57 1o8t n GLN 3 Ca -0.04 -2.89 0.22 0.00 0.00 0.00 0.00 57.00 54.28 1o8t n GLN 3 Cb 0.52 -1.60 0.71 0.00 0.00 0.00 0.00 30.24 29.87 1o8t n GLN 3 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1o8t h PRO 4 N 5.38 0.00 0.15 2.61 0.13 -1.98 -0.14 132.00 138.15 1o8t h PRO 4 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1o8t h PRO 4 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1o8t h PRO 4 CO 0.29 0.00 -0.07 0.37 -0.23 0.00 0.00 178.00 178.36 1o8t h GLN 5 N 0.00 -0.19 0.53 0.86 -0.00 -2.01 -3.37 115.11 110.93 1o8t h GLN 5 Ca 0.24 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.88 1o8t h GLN 5 Cb 1.33 0.04 0.01 0.00 0.00 0.00 0.00 27.48 28.86 1o8t h GLN 5 CO -0.00 0.25 -0.25 1.96 0.00 0.00 0.00 178.83 180.79 1o8t h GLN 6 N -0.82 -0.69 -7.05 1.69 7.50 -1.73 -3.45 115.11 110.56 1o8t h GLN 6 Ca -0.02 0.05 -0.50 0.00 0.50 0.00 0.00 58.65 58.68 1o8t h GLN 6 Cb 0.54 0.16 0.06 0.00 0.05 0.00 0.00 27.48 28.28 1o8t h GLN 6 CO 0.03 -0.40 0.44 0.16 -1.50 0.00 0.00 178.83 177.56 1o8t s ASP 7 N -4.75 6.07 -0.56 1.46 1.47 -0.16 -4.93 116.67 115.26 1o8t s ASP 7 Ca -0.13 2.15 -0.27 0.00 1.18 0.00 0.00 52.55 55.49 1o8t s ASP 7 Cb 0.01 -2.58 -0.02 0.00 -0.34 0.00 0.00 42.92 39.99 1o8t s ASP 7 CO 0.41 -0.98 1.81 -0.70 0.68 0.00 0.00 175.17 176.38 1o8t s GLU 8 N -3.03 2.80 -0.01 2.11 2.12 -1.26 -4.65 118.70 116.77 1o8t s GLU 8 Ca 0.68 0.72 -0.21 0.00 0.36 0.00 0.00 54.97 56.52 1o8t s GLU 8 Cb -0.24 -4.33 -0.11 0.00 0.26 0.00 0.00 34.13 29.71 1o8t s GLU 8 CO 0.28 -2.52 0.85 0.52 -0.54 0.00 0.00 175.26 173.85 1o8t h MET 9 N 14.25 -0.72 -6.43 4.30 2.86 -1.92 -3.42 114.93 123.85 1o8t h MET 9 Ca -0.27 0.05 -0.57 0.00 -2.06 0.00 0.00 59.70 56.85 1o8t h MET 9 Cb 1.16 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.92 1o8t h MET 9 CO 1.19 -0.48 0.94 -1.25 1.06 0.00 0.00 176.91 178.37 1o8t s PRO 10 N -3.96 3.88 -0.05 -0.22 0.04 -1.26 -4.95 135.00 128.48 1o8t s PRO 10 Ca -0.11 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 1o8t s PRO 10 Cb 0.01 -3.86 -0.10 0.00 0.04 0.00 0.00 34.50 30.59 1o8t s PRO 10 CO 0.33 -1.17 0.64 0.77 0.04 0.00 0.00 177.00 177.61 1o8t h SER 11 N 9.13 -0.34 -4.23 6.66 0.02 -2.03 -3.46 113.55 119.30 1o8t h SER 11 Ca -0.24 -0.09 -0.50 0.00 -0.84 0.00 0.00 61.79 60.12 1o8t h SER 11 Cb 1.08 0.09 0.13 0.00 0.14 0.00 0.00 62.40 63.84 1o8t h SER 11 CO 1.06 0.13 0.30 -2.16 -1.14 0.00 0.00 176.83 175.02 1o8t s PRO 12 N -3.19 1.94 0.01 3.45 0.04 -1.26 -4.98 135.00 131.01 1o8t s PRO 12 Ca -0.09 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.61 1o8t s PRO 12 Cb 0.01 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1o8t s PRO 12 CO 0.29 -1.80 1.34 0.95 0.04 0.00 0.00 177.00 177.81 1o8t s THR 13 N -2.96 3.81 0.00 1.26 -4.23 -1.26 -4.92 115.64 107.34 1o8t s THR 13 Ca 0.62 1.22 0.00 0.00 -1.18 0.00 0.00 61.69 62.34 1o8t s THR 13 Cb -0.17 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1o8t s THR 13 CO 0.56 0.02 0.00 0.49 -0.54 0.00 0.00 174.62 175.15 1o8t n PHE 14 N 4.99 0.00 0.09 3.99 3.72 -1.26 -4.52 117.46 124.48 1o8t n PHE 14 Ca 0.12 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 1o8t n PHE 14 Cb 0.44 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.90 1o8t n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1o8t h LEU 15 N 0.00 -0.15 -1.33 4.37 3.38 -2.01 -2.24 115.31 117.33 1o8t h LEU 15 Ca 0.00 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1o8t h LEU 15 Cb 0.00 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1o8t h LEU 15 CO 0.00 0.01 0.50 0.71 0.09 0.00 0.00 178.44 179.75 1o8t h THR 16 N -0.30 1.05 0.12 0.22 1.35 -1.98 -2.59 112.91 110.78 1o8t h THR 16 Ca -0.02 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.55 1o8t h THR 16 Cb 0.24 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 66.81 1o8t h THR 16 CO 0.03 0.15 -0.06 -0.61 -0.25 0.00 0.00 175.52 174.78 1o8t h GLN 17 N 0.83 -0.16 -0.50 4.72 -0.00 -1.74 -3.21 115.11 115.05 1o8t h GLN 17 Ca 0.32 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 59.07 1o8t h GLN 17 Cb 0.21 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 27.64 1o8t h GLN 17 CO -0.11 -0.01 -0.17 0.28 0.00 0.00 0.00 178.83 178.82 1o8t n VAL 18 N -5.11 -0.24 -0.03 2.39 0.31 -0.86 0.35 118.33 115.13 1o8t n VAL 18 Ca -0.08 1.16 -0.09 0.00 -0.01 0.00 0.00 64.34 65.31 1o8t n VAL 18 Cb 0.13 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 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 -0.29 0.00 5.55 6.56 -1.67 -0.32 116.57 126.40 1o8t h LYS 19 Ca 0.20 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.76 1o8t h LYS 19 Cb 0.32 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1o8t h LYS 19 CO -0.50 -0.19 -0.20 0.93 -2.06 0.00 0.00 179.45 177.42 1o8t h GLU 20 N -0.30 0.00 -0.37 3.15 3.07 -0.26 -1.84 114.58 118.03 1o8t h GLU 20 Ca 0.12 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1o8t h GLU 20 Cb 0.49 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1o8t h GLU 20 CO -0.37 0.20 0.16 1.03 -1.40 0.00 0.00 179.01 178.64 1o8t h SER 21 N 0.00 0.50 -0.04 1.42 0.87 0.19 -1.73 113.55 114.77 1o8t h SER 21 Ca -0.00 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.25 1o8t h SER 21 Cb 0.36 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1o8t h SER 21 CO 0.03 0.51 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.24 1o8t h LEU 22 N 0.46 0.68 0.33 2.23 4.07 -0.87 -2.70 115.31 119.51 1o8t h LEU 22 Ca 0.13 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1o8t h LEU 22 Cb 0.16 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1o8t h LEU 22 CO -0.01 1.08 -0.20 0.28 -1.08 0.00 0.00 178.44 178.50 1o8t h SER 23 N 0.48 -0.51 0.38 -0.43 0.02 -1.15 -1.24 113.55 111.10 1o8t h SER 23 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 1.08 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1o8t h SER 23 CO 0.10 -0.33 0.00 0.28 -1.14 0.00 0.00 176.83 175.75 1o8t h SER 24 N -0.52 0.00 0.12 3.07 0.02 -1.36 -2.35 113.55 112.53 1o8t h SER 24 Ca -0.04 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.62 1o8t h SER 24 Cb 0.43 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.99 1o8t h SER 24 CO 0.04 0.00 -1.21 0.22 -1.14 0.00 0.00 176.83 174.74 1o8t h TYR 25 N 0.00 0.98 -0.63 3.45 3.20 -0.96 -3.30 116.97 119.71 1o8t h TYR 25 Ca 0.00 -0.62 -0.05 0.00 3.14 0.00 0.00 58.73 61.20 1o8t h TYR 25 Cb 0.19 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1o8t h TYR 25 CO 0.00 1.46 0.18 2.35 -1.64 0.00 0.00 178.16 180.51 1o8t h TRP 26 N 0.22 1.00 -0.91 -3.82 7.01 -0.72 0.48 115.95 119.21 1o8t h TRP 26 Ca -0.19 -0.09 0.09 0.00 2.11 0.00 0.00 58.89 60.81 1o8t h TRP 26 Cb 1.89 -0.29 -0.12 0.00 -2.10 0.00 0.00 29.16 28.54 1o8t h TRP 26 CO 0.12 0.81 -0.55 0.93 -2.79 0.00 0.00 178.44 176.96 1o8t h GLU 27 N 0.93 -0.05 0.00 2.65 5.08 -1.60 0.18 114.58 121.78 1o8t h GLU 27 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1o8t h GLU 27 Cb 0.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1o8t h GLU 27 CO -0.01 -0.04 -0.50 0.45 -1.00 0.00 0.00 179.01 177.92 1o8t n SER 28 N -5.30 0.66 0.12 1.42 2.88 -1.19 -3.93 113.62 108.28 1o8t n SER 28 Ca 0.02 0.16 0.05 0.00 -1.33 0.00 0.00 58.87 57.77 1o8t n SER 28 Cb 0.29 0.01 0.50 0.00 -0.75 0.00 0.00 64.21 64.27 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 2.59 1.79 -0.32 -1.46 0.00 0.17 -2.81 119.26 119.22 1o8t h ALA 29 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1o8t h ALA 29 Cb 0.71 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1o8t h ALA 29 CO 0.00 0.18 -0.10 -0.22 0.00 0.00 0.00 179.25 179.11 1o8t h LYS 30 N 0.29 -0.02 -1.04 0.00 3.11 -1.53 0.02 116.57 117.41 1o8t h LYS 30 Ca 0.08 0.00 0.27 0.00 -2.81 0.00 0.00 60.65 58.18 1o8t h LYS 30 Cb 0.02 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 31.15 1o8t h LYS 30 CO -0.01 -0.02 0.65 1.15 -2.81 0.00 0.00 179.45 178.41 1o8t h THR 31 N -0.02 0.51 -0.67 1.00 2.02 -1.76 0.45 112.91 114.43 1o8t h THR 31 Ca 0.16 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1o8t h THR 31 Cb 0.26 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1o8t h THR 31 CO -0.34 0.08 0.32 0.00 0.37 0.00 0.00 175.52 175.95 1o8t h ALA 32 N 1.66 0.87 -0.26 6.16 0.00 -1.08 -0.90 119.26 125.71 1o8t h ALA 32 Ca 0.62 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.45 1o8t h ALA 32 Cb 1.45 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1o8t h ALA 32 CO -0.37 0.44 -0.39 0.00 0.00 0.00 0.00 179.25 178.93 1o8t h ALA 33 N 1.15 -0.44 -0.54 0.00 0.00 0.25 0.58 119.26 120.27 1o8t h ALA 33 Ca 0.23 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1o8t h ALA 33 Cb 0.12 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1o8t h ALA 33 CO -0.03 -0.85 0.09 1.96 0.00 0.00 0.00 179.25 180.42 1o8t h GLN 34 N -0.39 0.86 0.00 0.00 4.20 -1.42 -1.91 115.11 116.45 1o8t h GLN 34 Ca 0.11 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1o8t h GLN 34 Cb 0.59 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1o8t h GLN 34 CO -0.47 0.80 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.45 1o8t h ASN 35 N 0.82 0.00 -0.40 1.46 -0.73 0.42 -1.61 115.58 115.53 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 0.36 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.90 1o8t h ASN 35 CO 0.01 0.07 0.13 0.25 -0.37 0.00 0.00 177.43 177.52 1o8t h LEU 36 N 0.00 0.12 -1.08 0.34 6.46 0.93 0.14 115.31 122.22 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 1o8t h LEU 36 Cb 0.15 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1o8t h LEU 36 CO 0.01 0.10 0.15 0.22 -0.62 0.00 0.00 178.44 178.30 1o8t h TYR 37 N 0.28 0.83 0.56 1.25 3.20 -1.36 -2.88 116.97 118.84 1o8t h TYR 37 Ca 0.19 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1o8t h TYR 37 Cb 0.19 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1o8t h TYR 37 CO -0.16 0.68 -0.36 1.49 -1.64 0.00 0.00 178.16 178.17 1o8t h GLU 38 N 0.78 -0.84 0.00 1.82 4.22 -0.26 -2.57 114.58 117.73 1o8t h GLU 38 Ca 0.18 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.67 1o8t h GLU 38 Cb 0.26 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1o8t h GLU 38 CO -0.01 -0.56 0.00 0.36 -2.18 0.00 0.00 179.01 176.63 1o8t n LYS 39 N -4.67 0.01 0.27 1.92 2.85 0.04 -2.77 118.16 115.83 1o8t n LYS 39 Ca -0.11 0.38 -0.15 0.00 -1.05 0.00 0.00 58.31 57.39 1o8t n LYS 39 Cb 0.37 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.17 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 0.40 -0.43 0.58 2.02 -1.23 -3.17 112.91 111.09 1o8t h THR 40 Ca 0.00 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1o8t h THR 40 Cb 0.04 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1o8t h THR 40 CO 0.00 0.05 -0.07 1.88 0.37 0.00 0.00 175.52 177.74 1o8t h TYR 41 N -0.92 0.80 -3.93 3.16 0.05 -1.61 -3.44 116.97 111.08 1o8t h TYR 41 Ca -0.07 -0.13 -0.50 0.00 0.05 0.00 0.00 58.73 58.08 1o8t h TYR 41 Cb 0.61 -0.21 0.03 0.00 1.01 0.00 0.00 36.73 38.17 1o8t h TYR 41 CO 0.00 0.79 0.47 -0.51 -1.05 0.00 0.00 178.16 177.85 1o8t s LEU 42 N -9.05 4.24 -0.23 3.88 2.01 -1.20 -4.96 118.68 113.37 1o8t s LEU 42 Ca -0.09 2.23 0.04 0.00 0.01 0.00 0.00 54.13 56.32 1o8t s LEU 42 Cb 0.14 -4.01 0.43 0.00 0.01 0.00 0.00 46.19 42.77 1o8t s LEU 42 CO 0.81 -0.52 1.46 -0.81 1.01 0.00 0.00 176.35 178.30 1o8t n PRO 43 N 0.22 2.25 0.20 1.29 -0.04 -1.26 -4.45 135.00 133.20 1o8t n PRO 43 Ca 0.04 -1.84 0.14 0.00 -0.04 0.00 0.00 63.50 61.80 1o8t n PRO 43 Cb 0.47 -1.79 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 1.95 1.00 -0.43 0.55 0.00 -1.93 -3.26 119.26 117.15 1o8t h ALA 44 Ca 0.27 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.26 1o8t h ALA 44 Cb 1.91 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 1o8t h ALA 44 CO 0.56 0.00 -0.35 0.28 0.00 0.00 0.00 179.25 179.74 1o8t h VAL 45 N 0.00 0.19 -0.56 0.00 2.07 -1.88 0.15 116.25 116.23 1o8t h VAL 45 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1o8t h VAL 45 Cb 0.24 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1o8t h VAL 45 CO 0.00 0.00 0.33 0.44 0.02 0.00 0.00 177.57 178.36 1o8t h ASP 46 N -0.25 0.67 -0.42 0.57 3.32 -1.96 -2.49 116.42 115.86 1o8t h ASP 46 Ca 0.17 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1o8t h ASP 46 Cb 0.55 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1o8t h ASP 46 CO -0.57 0.53 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.28 1o8t h GLU 47 N 0.78 0.82 -0.58 3.56 4.22 -1.27 -2.93 114.58 119.18 1o8t h GLU 47 Ca 0.20 -0.32 0.17 0.00 0.08 0.00 0.00 59.36 59.49 1o8t h GLU 47 Cb -0.02 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1o8t h GLU 47 CO -0.04 0.95 0.41 -0.22 -2.18 0.00 0.00 179.01 177.93 1o8t h LYS 48 N 0.64 0.01 0.70 1.92 3.64 -0.30 0.41 116.57 123.59 1o8t h LYS 48 Ca 0.10 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1o8t h LYS 48 Cb 0.65 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1o8t h LYS 48 CO 0.04 0.01 -0.33 -0.07 -2.27 0.00 0.00 179.45 176.83 1o8t h LEU 49 N 0.01 -0.79 -1.71 5.20 -0.00 -1.44 -1.98 115.31 114.61 1o8t h LEU 49 Ca 0.27 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 58.15 1o8t h LEU 49 Cb 1.08 0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1o8t h LEU 49 CO -0.01 -0.50 -0.15 -0.09 -0.00 0.00 0.00 178.44 177.70 1o8t h ARG 50 N -1.07 0.00 0.39 1.13 9.65 -1.51 -2.11 114.38 120.86 1o8t h ARG 50 Ca -0.10 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1o8t h ARG 50 Cb 0.72 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 1o8t h ARG 50 CO 0.16 0.15 -0.38 -0.44 2.80 0.00 0.00 179.97 182.26 1o8t h ASP 51 N 0.00 -1.02 0.82 -3.80 3.32 -0.04 -0.83 116.42 114.86 1o8t h ASP 51 Ca -0.00 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1o8t h ASP 51 Cb 0.27 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1o8t h ASP 51 CO 0.02 -0.53 -0.12 -0.07 -1.72 0.00 0.00 179.24 176.82 1o8t h LEU 52 N -0.79 0.00 0.16 1.55 4.07 -1.21 -2.85 115.31 116.24 1o8t h LEU 52 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1o8t h LEU 52 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1o8t h LEU 52 CO -0.06 0.12 -0.08 1.88 -1.08 0.00 0.00 178.44 179.23 1o8t h TYR 53 N 0.00 -0.20 -0.49 1.13 0.05 -0.69 0.16 116.97 116.92 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 0.56 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 1o8t h TYR 53 CO 0.00 0.15 0.29 0.66 -1.05 0.00 0.00 178.16 178.21 1o8t h SER 54 N -0.59 0.60 -0.13 3.88 4.64 -1.14 -2.41 113.55 118.41 1o8t h SER 54 Ca -0.02 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1o8t h SER 54 Cb 0.44 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1o8t h SER 54 CO 0.04 0.49 0.07 0.11 -0.87 0.00 0.00 176.83 176.66 1o8t h LYS 55 N 0.66 0.18 0.00 4.77 1.57 -1.53 -2.56 116.57 119.66 1o8t h LYS 55 Ca 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1o8t h LYS 55 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1o8t h LYS 55 CO -0.03 0.21 0.00 0.66 -0.57 0.00 0.00 179.45 179.72 1o8t h SER 56 N 0.10 0.00 0.32 0.86 4.64 -0.80 -1.91 113.55 116.76 1o8t h SER 56 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1o8t h SER 56 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 56 CO -0.01 0.00 -0.23 0.74 -0.87 0.00 0.00 176.83 176.47 1o8t h THR 57 N 0.00 0.52 0.12 2.95 2.02 -0.99 -0.50 112.91 117.03 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 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1o8t h THR 57 CO 0.00 0.00 -1.70 0.00 0.37 0.00 0.00 175.52 174.19 1o8t h ALA 58 N 0.10 0.29 0.85 6.16 0.00 -1.68 -3.30 119.26 121.68 1o8t h ALA 58 Ca -0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 54.91 53.60 1o8t h ALA 58 Cb 0.46 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1o8t h ALA 58 CO 0.01 1.05 -0.41 0.00 0.00 0.00 0.00 179.25 179.90 1o8t h ALA 59 N -0.03 -1.18 0.00 0.00 0.00 -1.43 -3.04 119.26 113.59 1o8t h ALA 59 Ca -0.37 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1o8t h ALA 59 Cb 1.88 0.44 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1o8t h ALA 59 CO 0.06 -1.09 0.00 1.98 0.00 0.00 0.00 179.25 180.19 1o8t h MET 60 N -1.27 0.00 0.00 0.00 4.05 -1.27 -2.22 114.93 114.22 1o8t h MET 60 Ca -0.12 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1o8t h MET 60 Cb 0.87 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1o8t h MET 60 CO 0.19 0.00 0.00 0.66 0.23 0.00 0.00 176.91 177.99 1o8t h SER 61 N 0.00 0.00 0.00 1.39 4.64 -1.57 -0.39 113.55 117.62 1o8t h SER 61 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 1o8t h SER 61 Cb 0.08 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.10 1o8t h SER 61 CO 0.00 0.00 -2.50 0.35 -0.87 0.00 0.00 176.83 173.81 1o8t n THR 62 N -2.81 1.48 0.30 2.95 -2.24 -0.84 -4.37 114.28 108.74 1o8t n THR 62 Ca -0.00 -0.40 0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1o8t n THR 62 Cb 0.21 -1.82 0.74 0.00 -2.10 0.00 0.00 70.33 67.36 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 -0.87 0.00 0.37 4.78 0.05 -1.55 -0.47 116.97 119.28 1o8t h TYR 63 Ca -0.67 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.09 1o8t h TYR 63 Cb 1.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.37 1o8t h TYR 63 CO -0.08 0.00 -0.18 1.15 -1.05 0.00 0.00 178.16 178.01 1o8t h THR 64 N 0.00 0.43 -0.34 -2.88 2.02 -1.27 0.52 112.91 111.39 1o8t h THR 64 Ca 0.00 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 1o8t h THR 64 Cb 0.23 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1o8t h THR 64 CO 0.00 0.09 -0.23 1.23 0.37 0.00 0.00 175.52 176.98 1o8t h GLY 65 N -0.97 0.73 0.83 2.16 0.00 -1.72 -2.39 103.07 101.70 1o8t h GLY 65 Ca -0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1o8t h GLY 65 CO 0.08 0.55 -0.29 -2.22 0.00 0.00 0.00 176.54 174.67 1o8t h ILE 66 N 0.59 0.33 -0.14 2.60 5.03 -1.11 0.96 117.51 125.77 1o8t h ILE 66 Ca 0.08 -0.26 0.05 0.00 -0.12 0.00 0.00 64.86 64.61 1o8t h ILE 66 Cb 0.70 0.41 -0.07 0.00 -3.03 0.00 0.00 36.82 34.84 1o8t h ILE 66 CO 0.05 0.03 -0.38 -0.26 -0.68 0.00 0.00 178.15 176.92 1o8t h PHE 67 N -0.98 -1.07 0.00 1.37 0.04 0.05 0.32 116.94 116.66 1o8t h PHE 67 Ca -0.08 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1o8t h PHE 67 Cb 0.66 0.49 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 1o8t h PHE 67 CO -0.00 -0.45 -0.04 1.79 -0.60 0.00 0.00 178.31 179.02 1o8t h THR 68 N -0.45 0.17 0.52 -1.55 1.35 -1.47 -2.99 112.91 108.49 1o8t h THR 68 Ca 0.09 -0.33 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 1o8t h THR 68 Cb 0.60 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1o8t h THR 68 CO -0.39 0.04 -0.39 -0.78 -0.25 0.00 0.00 175.52 173.75 1o8t h ASP 69 N 0.00 -1.01 0.73 5.36 1.82 0.14 0.20 116.42 123.66 1o8t h ASP 69 Ca -0.00 0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.27 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1o8t h ASP 69 CO 0.00 -0.57 -0.25 0.06 -1.61 0.00 0.00 179.24 176.87 1o8t h GLN 70 N -0.89 0.00 0.36 0.28 3.07 -1.47 -1.45 115.11 115.02 1o8t h GLN 70 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.67 1o8t h GLN 70 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1o8t h GLN 70 CO 0.01 0.25 -0.17 0.28 0.09 0.00 0.00 178.83 179.29 1o8t h VAL 71 N 0.00 0.55 -0.79 1.86 2.07 -1.32 -1.93 116.25 116.70 1o8t h VAL 71 Ca -0.00 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 66.99 1o8t h VAL 71 Cb 0.69 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1o8t h VAL 71 CO 0.03 0.10 0.51 -0.07 0.02 0.00 0.00 177.57 178.17 1o8t h LEU 72 N -0.87 0.71 -1.05 2.57 3.38 -0.57 -0.48 115.31 119.00 1o8t h LEU 72 Ca -0.05 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1o8t h LEU 72 Cb 0.54 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1o8t h LEU 72 CO 0.08 0.45 0.63 -1.28 0.09 0.00 0.00 178.44 178.41 1o8t h SER 73 N 0.80 1.03 1.02 -0.43 0.87 -1.09 0.78 113.55 116.52 1o8t h SER 73 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1o8t h SER 73 Cb 0.31 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1o8t h SER 73 CO -0.13 0.68 0.00 1.62 -0.53 0.00 0.00 176.83 178.47 1o8t h VAL 74 N 1.17 0.00 -0.53 2.23 3.04 -0.28 -2.88 116.25 119.00 1o8t h VAL 74 Ca 0.41 -0.45 -0.06 0.00 -1.01 0.00 0.00 66.70 65.58 1o8t h VAL 74 Cb 0.10 1.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1o8t h VAL 74 CO -0.15 0.00 0.08 0.25 -1.01 0.00 0.00 177.57 176.74 1o8t h LEU 75 N 0.00 0.80 -0.23 3.16 5.85 -0.51 0.13 115.31 124.50 1o8t h LEU 75 Ca 0.00 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.41 1o8t h LEU 75 Cb 0.51 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1o8t h LEU 75 CO 0.00 0.82 -0.42 0.11 -0.34 0.00 0.00 178.44 178.61 1o8t h LYS 76 N 0.80 0.69 0.11 1.25 6.56 -1.49 -1.02 116.57 123.47 1o8t h LYS 76 Ca 0.17 -0.43 -0.01 0.00 -1.06 0.00 0.00 60.65 59.32 1o8t h LYS 76 Cb 0.37 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1o8t h LYS 76 CO 0.01 1.05 -0.05 0.78 -2.06 0.00 0.00 179.45 179.18 1o8t h GLY 77 N 0.40 -0.16 0.21 3.86 0.00 -1.53 -3.39 103.07 102.47 1o8t h GLY 77 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 1o8t h GLY 77 CO 0.09 -0.06 -0.10 0.83 0.00 0.00 0.00 176.54 177.31 1o8t h GLU 78 N -0.76 -0.27 0.00 4.80 4.39 -0.87 -3.52 114.58 118.35 1o8t h GLU 78 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1o8t h GLU 78 Cb 0.55 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1o8t h GLU 78 CO 0.03 -0.18 0.00 0.39 -1.16 0.00 0.00 179.01 178.09