#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 2.07 -0.24 -2.82 1.03 -1.26 -4.75 119.66 113.68 1o8t s GLN 2 Ca 0.00 0.35 -0.06 0.00 0.04 0.00 0.00 55.36 55.69 1o8t s GLN 2 Cb 0.00 -1.94 -0.02 0.00 0.03 0.00 0.00 33.01 31.08 1o8t s GLN 2 CO 0.00 -1.57 0.04 -1.14 -2.54 0.00 0.00 175.29 170.08 1o8t s GLN 3 N -5.37 3.55 -1.27 9.60 -0.44 -1.26 -5.03 119.66 119.44 1o8t s GLN 3 Ca 0.61 -0.54 -0.17 0.00 -2.50 0.00 0.00 55.36 52.76 1o8t s GLN 3 Cb -0.12 -3.25 0.00 0.00 -1.64 0.00 0.00 33.01 28.00 1o8t s GLN 3 CO 0.52 -0.21 2.01 -0.35 0.50 0.00 0.00 175.29 177.76 1o8t n PRO 4 N 4.89 2.59 -2.41 1.67 -0.04 -1.26 -4.97 135.00 135.48 1o8t n PRO 4 Ca -0.17 -2.65 -0.37 0.00 -0.04 0.00 0.00 63.50 60.27 1o8t n PRO 4 Cb 0.51 -3.33 -0.03 0.00 -0.04 0.00 0.00 33.50 30.61 1o8t n PRO 4 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1o8t s GLN 5 N 4.13 4.00 -0.00 0.54 -0.44 -1.26 -4.99 119.66 121.64 1o8t s GLN 5 Ca 0.53 1.65 -0.22 0.00 -2.50 0.00 0.00 55.36 54.82 1o8t s GLN 5 Cb 0.10 -2.51 -0.12 0.00 -1.64 0.00 0.00 33.01 28.84 1o8t s GLN 5 CO 0.02 -0.32 0.94 0.37 0.50 0.00 0.00 175.29 176.80 1o8t h GLN 6 N 2.35 -0.76 -6.59 1.67 -0.00 -1.99 -3.43 115.11 106.36 1o8t h GLN 6 Ca -0.49 0.05 -0.53 0.00 -0.00 0.00 0.00 58.65 57.69 1o8t h GLN 6 Cb 1.23 0.17 0.02 0.00 0.00 0.00 0.00 27.48 28.90 1o8t h GLN 6 CO 0.62 -0.50 0.63 0.34 0.00 0.00 0.00 178.83 179.91 1o8t s ASP 7 N -4.46 6.96 0.02 -0.69 2.15 -1.26 -4.95 116.67 114.45 1o8t s ASP 7 Ca -0.11 2.25 -0.21 0.00 0.43 0.00 0.00 52.55 54.90 1o8t s ASP 7 Cb 0.01 -2.60 -0.16 0.00 -0.30 0.00 0.00 42.92 39.88 1o8t s ASP 7 CO 0.34 -0.51 1.31 -0.08 -0.17 0.00 0.00 175.17 176.06 1o8t h GLU 8 N 6.06 0.29 -7.33 4.34 4.22 -2.04 -3.45 114.58 116.68 1o8t h GLU 8 Ca -0.43 -0.16 -0.47 0.00 0.08 0.00 0.00 59.36 58.37 1o8t h GLU 8 Cb 1.21 0.01 0.16 0.00 0.50 0.00 0.00 28.75 30.63 1o8t h GLU 8 CO 0.80 0.72 0.22 -1.64 -2.18 0.00 0.00 179.01 176.93 1o8t s MET 9 N -4.21 0.91 -0.90 1.92 -1.94 -1.26 -4.85 119.30 108.96 1o8t s MET 9 Ca -0.14 0.77 -0.24 0.00 -1.71 0.00 0.00 55.69 54.36 1o8t s MET 9 Cb 0.04 -1.77 -0.17 0.00 2.01 0.00 0.00 34.83 34.94 1o8t s MET 9 CO 0.74 -2.47 1.92 -2.30 -0.01 0.00 0.00 175.02 172.90 1o8t n PRO 10 N -4.03 1.07 -1.39 2.03 -0.02 -1.26 -4.89 135.00 126.51 1o8t n PRO 10 Ca 0.06 -1.97 -0.29 0.00 -2.02 0.00 0.00 63.50 59.28 1o8t n PRO 10 Cb 0.56 -3.40 0.14 0.00 -0.02 0.00 0.00 33.50 30.78 1o8t n PRO 10 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1o8t s SER 11 N 6.57 3.30 0.28 2.55 0.01 -1.26 -4.68 113.70 120.47 1o8t s SER 11 Ca 0.68 1.10 0.01 0.00 1.31 0.00 0.00 55.95 59.06 1o8t s SER 11 Cb 0.04 -1.73 0.58 0.00 0.21 0.00 0.00 66.02 65.12 1o8t s SER 11 CO 0.17 -2.70 1.78 1.55 0.41 0.00 0.00 173.24 174.46 1o8t h PRO 12 N -1.59 0.72 -0.25 12.44 0.13 -2.00 0.14 132.00 141.59 1o8t h PRO 12 Ca -0.51 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.38 1o8t h PRO 12 Cb 1.32 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1o8t h PRO 12 CO 0.60 0.48 -0.61 1.79 -0.23 0.00 0.00 178.00 180.02 1o8t h THR 13 N 0.74 1.27 -0.78 1.56 1.35 -1.98 -2.74 112.91 112.33 1o8t h THR 13 Ca 0.50 -1.79 -0.04 0.00 -0.55 0.00 0.00 66.41 64.52 1o8t h THR 13 Cb 0.67 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.79 1o8t h THR 13 CO -0.34 0.58 0.33 0.15 -0.25 0.00 0.00 175.52 175.99 1o8t h PHE 14 N 0.63 1.17 0.04 4.73 3.04 -1.58 -1.38 116.94 123.59 1o8t h PHE 14 Ca -0.01 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 1o8t h PHE 14 Cb 1.23 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1o8t h PHE 14 CO 0.08 0.88 -0.02 -0.07 -2.02 0.00 0.00 178.31 177.16 1o8t h LEU 15 N 1.13 -0.04 -1.15 0.59 3.38 -0.77 -2.20 115.31 116.25 1o8t h LEU 15 Ca 0.26 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1o8t h LEU 15 Cb 0.18 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1o8t h LEU 15 CO -0.03 0.10 0.59 0.74 0.09 0.00 0.00 178.44 179.93 1o8t h THR 16 N -0.17 1.09 -0.55 0.22 2.02 -1.34 -1.80 112.91 112.37 1o8t h THR 16 Ca -0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1o8t h THR 16 Cb 0.16 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1o8t h THR 16 CO 0.01 0.19 0.24 -0.61 0.37 0.00 0.00 175.52 175.72 1o8t h GLN 17 N 1.05 0.77 -0.49 6.66 -0.00 -0.94 -3.25 115.11 118.92 1o8t h GLN 17 Ca 0.38 -0.10 0.11 0.00 -0.00 0.00 0.00 58.65 59.04 1o8t h GLN 17 Cb 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 27.48 27.40 1o8t h GLN 17 CO -0.13 0.62 -0.06 0.28 0.00 0.00 0.00 178.83 179.53 1o8t n VAL 18 N -4.35 -0.20 -0.08 2.39 0.31 -0.68 0.59 118.33 116.31 1o8t n VAL 18 Ca 0.05 1.09 -0.07 0.00 -0.01 0.00 0.00 64.34 65.40 1o8t n VAL 18 Cb 0.14 -1.55 -0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.14 0.00 5.55 1.79 -1.76 0.04 116.57 122.06 1o8t h LYS 19 Ca 0.26 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1o8t h LYS 19 Cb 0.46 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1o8t h LYS 19 CO -0.48 -0.09 -0.17 0.93 -1.08 0.00 0.00 179.45 178.56 1o8t h GLU 20 N -0.14 0.00 0.00 3.15 3.07 -0.09 -2.21 114.58 118.35 1o8t h GLU 20 Ca 0.16 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1o8t h GLU 20 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1o8t h GLU 20 CO -0.40 0.17 -0.10 0.66 -1.40 0.00 0.00 179.01 177.93 1o8t h SER 21 N 0.00 0.00 -0.22 1.42 4.64 -0.54 -2.54 113.55 116.31 1o8t h SER 21 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1o8t h SER 21 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1o8t h SER 21 CO 0.02 0.10 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.65 1o8t h LEU 22 N 0.00 0.70 0.20 5.97 4.07 -1.12 -2.00 115.31 123.12 1o8t h LEU 22 Ca -0.00 -0.53 -0.00 0.00 0.08 0.00 0.00 57.88 57.43 1o8t h LEU 22 Cb 0.22 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1o8t h LEU 22 CO 0.01 1.09 -0.13 0.28 -1.08 0.00 0.00 178.44 178.62 1o8t h SER 23 N 0.32 -0.33 0.39 -0.43 0.02 -1.54 -1.17 113.55 110.82 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 0.95 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1o8t h SER 23 CO 0.08 -0.21 0.00 0.77 -1.14 0.00 0.00 176.83 176.33 1o8t h SER 24 N -0.32 0.00 0.09 3.07 4.64 -1.55 -2.47 113.55 117.02 1o8t h SER 24 Ca -0.02 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 1o8t h SER 24 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1o8t h SER 24 CO 0.01 0.00 -1.02 0.22 -0.87 0.00 0.00 176.83 175.17 1o8t h TYR 25 N 0.00 0.84 -0.58 4.77 3.20 -0.49 -3.30 116.97 121.41 1o8t h TYR 25 Ca 0.00 -0.53 -0.05 0.00 3.14 0.00 0.00 58.73 61.29 1o8t h TYR 25 Cb 0.20 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1o8t h TYR 25 CO 0.00 1.37 0.15 2.35 -1.64 0.00 0.00 178.16 180.40 1o8t h TRP 26 N 0.07 0.92 -0.92 -3.82 7.01 -0.79 0.13 115.95 118.55 1o8t h TRP 26 Ca -0.15 -0.09 0.10 0.00 2.11 0.00 0.00 58.89 60.86 1o8t h TRP 26 Cb 1.72 -0.27 -0.12 0.00 -2.10 0.00 0.00 29.16 28.39 1o8t h TRP 26 CO 0.14 0.76 -0.55 1.49 -2.79 0.00 0.00 178.44 177.49 1o8t h GLU 27 N 0.86 -0.05 -0.00 2.65 4.22 -1.58 0.13 114.58 120.82 1o8t h GLU 27 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 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 -0.00 -0.03 -0.49 0.43 -2.18 0.00 0.00 179.01 176.73 1o8t n SER 28 N -5.31 0.61 -0.21 1.04 7.64 -1.19 -4.13 113.62 112.07 1o8t n SER 28 Ca 0.03 -0.39 -0.00 0.00 1.01 0.00 0.00 58.87 59.52 1o8t n SER 28 Cb 0.30 0.27 0.23 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 3.10 1.42 -0.23 -0.43 0.00 0.14 -2.90 119.26 120.36 1o8t h ALA 29 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1o8t h ALA 29 Cb 0.50 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1o8t h ALA 29 CO 0.00 0.51 -0.15 0.87 0.00 0.00 0.00 179.25 180.48 1o8t h LYS 30 N 0.99 -0.13 -1.01 0.00 6.56 -1.64 -0.08 116.57 121.26 1o8t h LYS 30 Ca 0.26 0.01 0.25 0.00 -1.06 0.00 0.00 60.65 60.11 1o8t h LYS 30 Cb -0.05 0.03 -0.12 0.00 -0.57 0.00 0.00 32.23 31.52 1o8t h LYS 30 CO -0.05 -0.09 0.60 1.15 -2.06 0.00 0.00 179.45 179.01 1o8t h THR 31 N -0.14 0.53 -0.39 -0.16 2.02 -1.78 0.37 112.91 113.35 1o8t h THR 31 Ca 0.13 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1o8t h THR 31 Cb 0.33 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1o8t h THR 31 CO -0.31 0.10 0.18 0.00 0.37 0.00 0.00 175.52 175.86 1o8t h ALA 32 N 1.72 0.51 -0.30 6.16 0.00 -1.05 -0.49 119.26 125.80 1o8t h ALA 32 Ca 0.64 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.51 1o8t h ALA 32 Cb 1.27 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1o8t h ALA 32 CO -0.46 0.08 -0.35 0.00 0.00 0.00 0.00 179.25 178.52 1o8t h ALA 33 N 1.03 -0.31 -0.46 0.00 0.00 0.54 0.35 119.26 120.42 1o8t h ALA 33 Ca 0.13 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1o8t h ALA 33 Cb 0.13 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1o8t h ALA 33 CO -0.02 -0.78 0.03 1.96 0.00 0.00 0.00 179.25 180.44 1o8t h GLN 34 N -0.32 0.73 0.00 0.00 7.50 -1.37 -1.96 115.11 119.68 1o8t h GLN 34 Ca 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 1o8t h GLN 34 Cb 0.56 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.99 1o8t h GLN 34 CO -0.48 0.72 -0.09 -0.97 -1.50 0.00 0.00 178.83 176.51 1o8t h ASN 35 N 0.69 0.00 -0.40 1.46 -0.73 0.72 -1.43 115.58 115.89 1o8t h ASN 35 Ca 0.14 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.36 1o8t h ASN 35 Cb 0.38 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 1o8t h ASN 35 CO 0.01 0.09 0.13 0.25 -0.37 0.00 0.00 177.43 177.53 1o8t h LEU 36 N 0.00 0.12 -0.96 0.34 6.46 0.42 0.17 115.31 121.86 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1o8t h LEU 36 Cb 0.16 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1o8t h LEU 36 CO 0.01 0.10 0.22 0.22 -0.62 0.00 0.00 178.44 178.37 1o8t h TYR 37 N 0.28 0.99 0.69 1.25 3.20 -1.32 -2.77 116.97 119.28 1o8t h TYR 37 Ca 0.19 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1o8t h TYR 37 Cb 0.18 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1o8t h TYR 37 CO -0.16 0.79 -0.46 1.49 -1.64 0.00 0.00 178.16 178.18 1o8t h GLU 38 N 0.94 -1.05 0.00 1.82 4.22 -0.03 -2.35 114.58 118.13 1o8t h GLU 38 Ca 0.21 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.73 1o8t h GLU 38 Cb 0.25 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1o8t h GLU 38 CO -0.01 -0.70 0.00 0.36 -2.18 0.00 0.00 179.01 176.48 1o8t n LYS 39 N -5.58 0.24 0.04 1.92 2.85 0.35 -3.03 118.16 114.95 1o8t n LYS 39 Ca -0.14 0.10 -0.12 0.00 -1.05 0.00 0.00 58.31 57.10 1o8t n LYS 39 Cb 0.47 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.26 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 1.05 -0.17 0.58 2.02 -1.13 -3.33 112.91 111.94 1o8t h THR 40 Ca 0.00 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 1o8t h THR 40 Cb 0.05 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1o8t h THR 40 CO 0.00 0.25 0.01 1.88 0.37 0.00 0.00 175.52 178.02 1o8t h TYR 41 N -0.72 0.33 -3.90 3.16 0.05 -1.62 -3.44 116.97 110.83 1o8t h TYR 41 Ca -0.02 -0.05 -0.49 0.00 0.05 0.00 0.00 58.73 58.21 1o8t h TYR 41 Cb 0.53 -0.09 0.02 0.00 1.01 0.00 0.00 36.73 38.21 1o8t h TYR 41 CO 0.09 0.50 0.45 -0.51 -1.05 0.00 0.00 178.16 177.64 1o8t s LEU 42 N -9.54 4.32 -0.25 3.88 1.43 -1.23 -4.96 118.68 112.33 1o8t s LEU 42 Ca -0.14 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.17 1o8t s LEU 42 Cb 0.06 -3.93 0.39 0.00 0.03 0.00 0.00 46.19 42.74 1o8t s LEU 42 CO 0.72 -0.38 1.50 -0.81 0.23 0.00 0.00 176.35 177.61 1o8t n PRO 43 N 0.46 1.86 0.20 1.29 -0.04 -1.26 -4.45 135.00 133.06 1o8t n PRO 43 Ca 0.02 -1.74 0.15 0.00 -0.04 0.00 0.00 63.50 61.89 1o8t n PRO 43 Cb 0.47 -1.70 0.67 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.58 1.00 -0.86 0.55 0.00 -1.93 -3.15 119.26 116.45 1o8t h ALA 44 Ca 0.33 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.43 1o8t h ALA 44 Cb 2.02 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.70 1o8t h ALA 44 CO 0.61 0.00 0.39 -0.39 0.00 0.00 0.00 179.25 179.86 1o8t h VAL 45 N 0.00 0.59 0.01 0.00 -1.51 -1.86 0.26 116.25 113.73 1o8t h VAL 45 Ca 0.00 -0.17 -0.23 0.00 -1.23 0.00 0.00 66.70 65.08 1o8t h VAL 45 Cb 0.24 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.46 1o8t h VAL 45 CO 0.00 0.09 -0.96 0.44 -1.23 0.00 0.00 177.57 175.91 1o8t h ASP 46 N 0.48 0.54 0.29 4.19 3.32 -1.94 -3.01 116.42 120.28 1o8t h ASP 46 Ca 0.50 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1o8t h ASP 46 Cb 0.86 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1o8t h ASP 46 CO -0.45 1.24 -0.14 -0.08 -1.72 0.00 0.00 179.24 178.09 1o8t h GLU 47 N 0.23 -0.37 -0.06 3.56 4.22 -1.31 -3.02 114.58 117.82 1o8t h GLU 47 Ca -0.08 0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.40 1o8t h GLU 47 Cb 1.60 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 1o8t h GLU 47 CO 0.17 -0.04 0.09 0.87 -2.18 0.00 0.00 179.01 177.92 1o8t h LYS 48 N -0.76 0.00 0.47 1.92 1.57 -0.69 0.14 116.57 119.23 1o8t h LYS 48 Ca -0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1o8t h LYS 48 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1o8t h LYS 48 CO 0.06 0.00 -0.23 1.25 -0.57 0.00 0.00 179.45 179.97 1o8t h LEU 49 N 0.00 -0.53 -1.44 2.94 7.12 -1.40 -0.40 115.31 121.60 1o8t h LEU 49 Ca 0.03 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 1o8t h LEU 49 Cb 0.21 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.47 1o8t h LEU 49 CO -0.00 -0.34 -0.01 0.03 -0.13 0.00 0.00 178.44 177.99 1o8t h ARG 50 N -0.72 0.34 0.45 1.25 2.47 -1.44 -1.86 114.38 114.87 1o8t h ARG 50 Ca -0.06 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.59 1o8t h ARG 50 Cb 0.48 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1o8t h ARG 50 CO 0.11 0.39 -0.41 0.22 0.56 0.00 0.00 179.97 180.83 1o8t h ASP 51 N 0.34 -1.11 0.42 7.04 1.82 -0.63 -0.44 116.42 123.86 1o8t h ASP 51 Ca 0.08 0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 1o8t h ASP 51 Cb 0.25 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1o8t h ASP 51 CO 0.01 -0.58 -0.18 0.25 -1.61 0.00 0.00 179.24 177.13 1o8t h LEU 52 N -0.87 0.00 -0.30 2.28 5.85 -0.93 -2.85 115.31 118.49 1o8t h LEU 52 Ca -0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1o8t h LEU 52 Cb 0.76 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1o8t h LEU 52 CO -0.04 0.18 -0.08 1.88 -0.34 0.00 0.00 178.44 180.04 1o8t h TYR 53 N 0.00 0.65 -0.01 1.25 0.05 -0.69 -0.29 116.97 117.93 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 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1o8t h TYR 53 CO 0.00 0.77 0.01 0.77 -1.05 0.00 0.00 178.16 178.66 1o8t h SER 54 N 0.35 0.01 -0.34 3.88 0.02 -0.87 -2.09 113.55 114.51 1o8t h SER 54 Ca 0.08 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1o8t h SER 54 Cb 0.56 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1o8t h SER 54 CO 0.03 0.06 0.18 0.50 -1.14 0.00 0.00 176.83 176.46 1o8t h LYS 55 N -0.03 0.47 0.00 3.45 3.64 -1.53 -2.44 116.57 120.13 1o8t h LYS 55 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1o8t h LYS 55 Cb 0.05 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1o8t h LYS 55 CO -0.00 0.41 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 1o8t h SER 56 N 0.42 0.00 -0.50 4.20 4.64 -0.91 -2.81 113.55 118.59 1o8t h SER 56 Ca 0.12 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1o8t h SER 56 Cb 0.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1o8t h SER 56 CO -0.02 0.00 0.27 0.74 -0.87 0.00 0.00 176.83 176.96 1o8t h THR 57 N 0.00 1.01 0.08 2.95 2.02 -0.86 0.16 112.91 118.26 1o8t h THR 57 Ca 0.00 -0.19 -0.28 0.00 0.77 0.00 0.00 66.41 66.72 1o8t h THR 57 Cb 0.12 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1o8t h THR 57 CO 0.00 0.10 -1.48 0.00 0.37 0.00 0.00 175.52 174.50 1o8t h ALA 58 N 1.24 0.27 0.65 6.16 0.00 -1.68 -3.27 119.26 122.62 1o8t h ALA 58 Ca 0.21 -1.19 -0.03 0.00 0.00 0.00 0.00 54.91 53.90 1o8t h ALA 58 Cb 0.07 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1o8t h ALA 58 CO -0.12 0.90 -0.31 0.00 0.00 0.00 0.00 179.25 179.71 1o8t h ALA 59 N -0.15 -0.87 0.00 0.00 0.00 -1.52 -2.93 119.26 113.78 1o8t h ALA 59 Ca -0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1o8t h ALA 59 Cb 1.68 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1o8t h ALA 59 CO -0.02 -0.93 -0.01 1.98 0.00 0.00 0.00 179.25 180.28 1o8t h MET 60 N -1.00 0.00 0.00 0.00 4.05 -0.90 -1.85 114.93 115.23 1o8t h MET 60 Ca -0.09 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 1o8t h MET 60 Cb 0.70 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 1o8t h MET 60 CO 0.15 0.01 0.00 1.03 0.23 0.00 0.00 176.91 178.32 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.87 -1.57 0.10 113.55 114.34 1o8t h SER 61 Ca -0.00 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.30 1o8t h SER 61 Cb 0.10 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 1o8t h SER 61 CO 0.00 0.00 -1.57 0.41 -0.53 0.00 0.00 176.83 175.14 1o8t n THR 62 N -2.56 1.52 0.30 2.23 -1.04 -0.70 -4.04 114.28 109.99 1o8t n THR 62 Ca 0.01 -0.10 0.18 0.00 -2.04 0.00 0.00 64.05 62.09 1o8t n THR 62 Cb 0.20 -2.05 0.85 0.00 -1.82 0.00 0.00 70.33 67.50 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 -1.00 0.00 0.49 -1.42 0.05 -1.54 -0.68 116.97 112.87 1o8t h TYR 63 Ca -0.40 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.36 1o8t h TYR 63 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1o8t h TYR 63 CO -0.04 0.00 -0.24 1.15 -1.05 0.00 0.00 178.16 177.98 1o8t h THR 64 N 0.00 0.12 -0.60 -2.88 2.02 -0.97 0.57 112.91 111.17 1o8t h THR 64 Ca 0.00 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 1o8t h THR 64 Cb 0.25 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1o8t h THR 64 CO 0.00 0.02 0.16 1.23 0.37 0.00 0.00 175.52 177.30 1o8t h GLY 65 N -1.13 0.99 0.83 2.16 0.00 -1.67 -1.36 103.07 102.88 1o8t h GLY 65 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1o8t h GLY 65 CO 0.11 0.54 -0.31 -2.22 0.00 0.00 0.00 176.54 174.66 1o8t h ILE 66 N 0.88 0.27 -0.20 2.60 2.04 -1.15 0.18 117.51 122.13 1o8t h ILE 66 Ca 0.19 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.87 1o8t h ILE 66 Cb 0.30 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 1o8t h ILE 66 CO -0.00 0.03 -0.34 0.15 0.00 0.00 0.00 178.15 177.99 1o8t h PHE 67 N -1.04 -0.94 0.00 1.37 3.57 0.22 0.61 116.94 120.74 1o8t h PHE 67 Ca -0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1o8t h PHE 67 Cb 0.70 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1o8t h PHE 67 CO -0.00 -0.41 0.00 1.79 -2.23 0.00 0.00 178.31 177.46 1o8t h THR 68 N -0.37 0.00 0.66 4.41 1.35 -1.28 -2.96 112.91 114.72 1o8t h THR 68 Ca 0.11 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.72 1o8t h THR 68 Cb 0.56 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1o8t h THR 68 CO -0.41 0.00 -0.46 -0.78 -0.25 0.00 0.00 175.52 173.62 1o8t h ASP 69 N 0.00 -1.19 0.78 5.36 1.82 0.13 0.20 116.42 123.52 1o8t h ASP 69 Ca 0.00 0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.23 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1o8t h ASP 69 CO 0.00 -0.68 -0.20 1.56 -1.61 0.00 0.00 179.24 178.30 1o8t h GLN 70 N -1.07 0.00 0.34 0.28 1.08 -1.51 -1.83 115.11 112.40 1o8t h GLN 70 Ca -0.08 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1o8t h GLN 70 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1o8t h GLN 70 CO 0.05 0.20 -0.16 0.28 -0.95 0.00 0.00 178.83 178.25 1o8t h VAL 71 N 0.00 0.59 -0.81 -0.54 2.07 -1.30 -2.04 116.25 114.22 1o8t h VAL 71 Ca -0.00 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1o8t h VAL 71 Cb 0.65 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 1o8t h VAL 71 CO 0.03 0.11 0.53 -0.07 0.02 0.00 0.00 177.57 178.18 1o8t h LEU 72 N -0.85 0.74 -1.06 2.57 4.07 -0.57 -0.38 115.31 119.84 1o8t h LEU 72 Ca -0.05 0.01 0.06 0.00 0.08 0.00 0.00 57.88 57.98 1o8t h LEU 72 Cb 0.53 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.06 1o8t h LEU 72 CO 0.08 0.47 0.63 0.77 -1.08 0.00 0.00 178.44 179.31 1o8t h SER 73 N 0.84 1.02 0.97 -0.43 4.64 -1.18 0.95 113.55 120.35 1o8t h SER 73 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1o8t h SER 73 Cb 0.30 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1o8t h SER 73 CO -0.13 0.67 0.00 0.58 -0.87 0.00 0.00 176.83 177.08 1o8t h VAL 74 N 1.16 0.00 -0.64 0.95 2.07 -0.33 -2.96 116.25 116.51 1o8t h VAL 74 Ca 0.41 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1o8t h VAL 74 Cb 0.12 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1o8t h VAL 74 CO -0.15 0.00 0.14 0.25 0.02 0.00 0.00 177.57 177.83 1o8t h LEU 75 N 0.00 0.97 -0.13 2.57 7.12 -0.45 0.49 115.31 125.87 1o8t h LEU 75 Ca 0.00 -0.20 -0.08 0.00 0.13 0.00 0.00 57.88 57.72 1o8t h LEU 75 Cb 0.48 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.36 1o8t h LEU 75 CO 0.00 0.94 -0.24 0.11 -0.13 0.00 0.00 178.44 179.13 1o8t h LYS 76 N 0.97 0.40 -0.13 1.25 1.57 -1.52 -0.18 116.57 118.93 1o8t h LYS 76 Ca 0.20 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1o8t h LYS 76 Cb 0.37 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1o8t h LYS 76 CO 0.00 0.84 0.00 0.78 -0.57 0.00 0.00 179.45 180.51 1o8t h GLY 77 N -0.00 0.25 0.49 3.86 0.00 -1.55 -3.33 103.07 102.78 1o8t h GLY 77 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1o8t h GLY 77 CO 0.05 0.17 -0.23 -2.09 0.00 0.00 0.00 176.54 174.44 1o8t h GLU 78 N -0.04 -0.62 -0.02 4.80 4.22 -0.99 -3.52 114.58 118.42 1o8t h GLU 78 Ca 0.04 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1o8t h GLU 78 Cb 0.36 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1o8t h GLU 78 CO 0.01 -0.40 0.00 -1.91 -2.18 0.00 0.00 179.01 174.53