#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 3.67 -0.03 -2.82 -0.44 -1.26 -4.87 119.66 113.92 1o8t s GLN 2 Ca 0.00 -1.85 -0.20 0.00 -2.50 0.00 0.00 55.36 50.81 1o8t s GLN 2 Cb 0.00 -4.97 -0.13 0.00 -1.64 0.00 0.00 33.01 26.27 1o8t s GLN 2 CO 0.00 -1.80 0.86 1.96 0.50 0.00 0.00 175.29 176.81 1o8t h GLN 3 N 8.62 -0.38 -2.15 1.67 7.50 -2.13 -3.32 115.11 124.92 1o8t h GLN 3 Ca 0.19 0.03 -0.38 0.00 0.50 0.00 0.00 58.65 58.98 1o8t h GLN 3 Cb 1.00 0.09 -0.10 0.00 0.05 0.00 0.00 27.48 28.52 1o8t h GLN 3 CO 1.15 -0.06 0.53 -0.35 -1.50 0.00 0.00 178.83 178.59 1o8t n PRO 4 N -5.05 2.51 -2.18 1.46 -0.04 -1.26 -4.91 135.00 125.52 1o8t n PRO 4 Ca -0.08 -1.74 -0.39 0.00 -0.04 0.00 0.00 63.50 61.26 1o8t n PRO 4 Cb 0.25 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 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 0.11 2.78 1.27 0.54 -0.44 -1.25 -4.99 119.66 117.68 1o8t s GLN 5 Ca 0.64 0.36 -0.20 0.00 -2.50 0.00 0.00 55.36 53.65 1o8t s GLN 5 Cb 0.31 -4.35 0.31 0.00 -1.64 0.00 0.00 33.01 27.64 1o8t s GLN 5 CO -0.08 -2.59 1.07 -1.14 0.50 0.00 0.00 175.29 173.04 1o8t s GLN 6 N 6.69 -1.72 -1.01 1.67 0.74 -1.26 -4.83 119.66 119.94 1o8t s GLN 6 Ca 0.59 -0.05 -0.22 0.00 0.05 0.00 0.00 55.36 55.73 1o8t s GLN 6 Cb -0.11 -1.54 -0.11 0.00 1.10 0.00 0.00 33.01 32.36 1o8t s GLN 6 CO 0.19 -4.04 1.93 -0.25 -0.55 0.00 0.00 175.29 172.56 1o8t n ASP 7 N -5.00 2.98 0.00 6.67 9.92 -1.26 -4.73 116.55 125.13 1o8t n ASP 7 Ca 0.13 -2.71 0.00 0.00 -0.53 0.00 0.00 54.79 51.68 1o8t n ASP 7 Cb 0.60 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1o8t n ASP 7 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1o8t n GLU 8 N 7.61 0.00 0.20 -1.24 4.71 -1.26 -4.44 120.64 126.22 1o8t n GLU 8 Ca 0.48 0.46 -0.12 0.00 -0.01 0.00 0.00 57.16 57.96 1o8t n GLU 8 Cb 0.43 -1.20 -0.06 0.00 -1.01 0.00 0.00 31.44 29.60 1o8t n GLU 8 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 177.13 177.74 1o8t h MET 9 N 0.00 -0.55 -7.17 3.49 2.86 -2.01 -3.45 114.93 108.10 1o8t h MET 9 Ca 0.00 0.04 -0.48 0.00 -2.06 0.00 0.00 59.70 57.20 1o8t h MET 9 Cb 0.00 0.12 0.04 0.00 0.06 0.00 0.00 31.60 31.83 1o8t h MET 9 CO 0.00 -0.26 0.38 -1.25 1.06 0.00 0.00 176.91 176.84 1o8t s PRO 10 N -4.08 3.60 0.01 -0.22 0.04 -1.26 -5.01 135.00 128.07 1o8t s PRO 10 Ca -0.12 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 1o8t s PRO 10 Cb 0.01 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1o8t s PRO 10 CO 0.41 -0.58 1.29 -1.12 0.04 0.00 0.00 177.00 177.04 1o8t s SER 11 N -2.67 6.97 0.15 6.66 0.01 -1.26 -4.65 113.70 118.90 1o8t s SER 11 Ca 0.63 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 59.59 1o8t s SER 11 Cb -0.14 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.42 1o8t s SER 11 CO 0.31 -0.61 1.61 -2.16 0.41 0.00 0.00 173.24 172.80 1o8t s PRO 12 N 1.93 4.20 -0.48 12.44 0.04 -1.26 -4.93 135.00 146.94 1o8t s PRO 12 Ca 0.60 2.39 -0.28 0.00 0.04 0.00 0.00 61.00 63.75 1o8t s PRO 12 Cb -0.29 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 1o8t s PRO 12 CO 0.26 -0.66 1.64 0.99 0.04 0.00 0.00 177.00 179.27 1o8t s THR 13 N 1.51 3.60 0.28 1.26 2.01 -1.26 -4.55 115.64 118.49 1o8t s THR 13 Ca 0.72 0.53 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1o8t s THR 13 Cb -0.44 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.04 1o8t s THR 13 CO 0.32 -0.81 0.00 0.33 -0.69 0.00 0.00 174.62 173.77 1o8t n PHE 14 N 10.49 -3.02 -0.00 4.92 -0.00 -1.26 -4.85 117.46 123.74 1o8t n PHE 14 Ca 0.18 0.77 -0.12 0.00 -0.00 0.00 0.00 57.45 58.28 1o8t n PHE 14 Cb 0.49 1.85 -0.07 0.00 -0.00 0.00 0.00 39.48 41.75 1o8t n PHE 14 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1o8t h LEU 15 N 0.00 0.09 -1.07 -2.13 6.46 -2.02 -2.20 115.31 114.44 1o8t h LEU 15 Ca 0.00 -0.13 0.06 0.00 -0.12 0.00 0.00 57.88 57.69 1o8t h LEU 15 Cb 0.00 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 1o8t h LEU 15 CO 0.00 0.19 0.62 0.74 -0.62 0.00 0.00 178.44 179.37 1o8t h THR 16 N -0.02 1.10 -0.12 1.05 2.02 -1.92 -2.59 112.91 112.42 1o8t h THR 16 Ca 0.02 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 1o8t h THR 16 Cb 0.12 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 1o8t h THR 16 CO -0.00 0.21 0.06 -0.61 0.37 0.00 0.00 175.52 175.55 1o8t h GLN 17 N 1.13 0.17 -0.48 6.66 -0.00 -1.83 -3.23 115.11 117.54 1o8t h GLN 17 Ca 0.41 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 59.11 1o8t h GLN 17 Cb 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 27.48 27.51 1o8t h GLN 17 CO -0.15 0.21 -0.18 0.28 0.00 0.00 0.00 178.83 179.00 1o8t n VAL 18 N -4.94 -0.24 0.03 2.39 0.31 -0.85 0.20 118.33 115.22 1o8t n VAL 18 Ca -0.05 1.13 -0.12 0.00 -0.01 0.00 0.00 64.34 65.29 1o8t n VAL 18 Cb 0.08 -1.50 -0.05 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 -0.46 0.00 5.55 1.79 -1.68 -0.68 116.57 121.08 1o8t h LYS 19 Ca 0.18 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1o8t h LYS 19 Cb 0.30 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1o8t h LYS 19 CO -0.48 -0.31 -0.18 0.93 -1.08 0.00 0.00 179.45 178.33 1o8t h GLU 20 N -0.47 0.00 -0.53 3.15 3.07 -0.42 -2.46 114.58 116.91 1o8t h GLU 20 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1o8t h GLU 20 Cb 0.59 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1o8t h GLU 20 CO -0.32 0.18 0.23 1.03 -1.40 0.00 0.00 179.01 178.73 1o8t h SER 21 N 0.00 0.72 -0.27 1.42 0.87 0.40 -1.64 113.55 115.05 1o8t h SER 21 Ca -0.00 -0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.23 1o8t h SER 21 Cb 0.35 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1o8t h SER 21 CO 0.02 0.67 -0.52 0.25 -0.53 0.00 0.00 176.83 176.72 1o8t h LEU 22 N 0.72 0.95 0.37 2.23 6.46 -0.89 -2.45 115.31 122.70 1o8t h LEU 22 Ca 0.18 -0.50 -0.01 0.00 -0.12 0.00 0.00 57.88 57.43 1o8t h LEU 22 Cb 0.17 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 1o8t h LEU 22 CO -0.02 1.29 -0.21 0.28 -0.62 0.00 0.00 178.44 179.16 1o8t h SER 23 N 0.66 -0.53 0.38 1.25 0.02 -1.29 -0.13 113.55 113.92 1o8t h SER 23 Ca 0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 23 Cb 1.12 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1o8t h SER 23 CO 0.12 -0.35 0.00 0.28 -1.14 0.00 0.00 176.83 175.74 1o8t h SER 24 N -0.55 0.00 0.21 3.07 0.02 -1.36 -2.42 113.55 112.52 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 0.45 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.02 1o8t h SER 24 CO 0.05 0.00 -1.26 0.22 -1.14 0.00 0.00 176.83 174.70 1o8t h TYR 25 N 0.00 0.86 -0.58 3.45 3.20 -0.80 -3.32 116.97 119.79 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 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1o8t h TYR 25 CO 0.00 1.48 0.15 2.35 -1.64 0.00 0.00 178.16 180.50 1o8t h TRP 26 N 0.01 0.91 -0.65 -3.82 -0.00 -0.57 -0.35 115.95 111.48 1o8t h TRP 26 Ca -0.22 -0.08 0.06 0.00 -0.00 0.00 0.00 58.89 58.65 1o8t h TRP 26 Cb 1.99 -0.27 -0.08 0.00 -0.00 0.00 0.00 29.16 30.80 1o8t h TRP 26 CO 0.15 0.75 -0.42 0.93 -0.00 0.00 0.00 178.44 179.85 1o8t h GLU 27 N 0.85 -0.05 -0.01 2.65 4.39 -1.58 0.46 114.58 121.29 1o8t h GLU 27 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1o8t h GLU 27 Cb 0.29 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1o8t h GLU 27 CO -0.00 -0.03 -0.15 0.43 -1.16 0.00 0.00 179.01 178.10 1o8t n SER 28 N -4.63 1.20 -0.01 1.42 7.64 -1.21 -4.11 113.62 113.91 1o8t n SER 28 Ca 0.01 -1.13 0.03 0.00 1.01 0.00 0.00 58.87 58.79 1o8t n SER 28 Cb 0.20 0.07 0.39 0.00 -1.01 0.00 0.00 64.21 63.86 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 3.95 1.64 -0.23 -0.43 0.00 0.92 -2.83 119.26 122.27 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 0.50 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1o8t h ALA 29 CO 0.00 0.31 -0.15 0.87 0.00 0.00 0.00 179.25 180.28 1o8t h LYS 30 N 0.58 -0.13 -1.01 0.00 1.57 -1.70 -0.10 116.57 115.78 1o8t h LYS 30 Ca 0.15 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.19 1o8t h LYS 30 Cb -0.00 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 32.21 1o8t h LYS 30 CO -0.03 -0.09 0.60 1.15 -0.57 0.00 0.00 179.45 180.52 1o8t h THR 31 N -0.14 0.53 -0.47 -0.16 2.02 -1.79 0.39 112.91 113.30 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 0.34 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1o8t h THR 31 CO -0.32 0.10 0.22 0.00 0.37 0.00 0.00 175.52 175.89 1o8t h ALA 32 N 1.72 0.60 -0.25 6.16 0.00 -1.09 -0.46 119.26 125.95 1o8t h ALA 32 Ca 0.64 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.49 1o8t h ALA 32 Cb 1.26 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1o8t h ALA 32 CO -0.46 0.17 -0.40 0.00 0.00 0.00 0.00 179.25 178.57 1o8t h ALA 33 N 1.06 -0.46 -0.44 0.00 0.00 0.58 0.43 119.26 120.43 1o8t h ALA 33 Ca 0.16 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1o8t h ALA 33 Cb 0.13 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1o8t h ALA 33 CO -0.02 -0.86 0.03 1.96 0.00 0.00 0.00 179.25 180.36 1o8t h GLN 34 N -0.40 0.71 -0.00 0.00 4.20 -1.40 -1.97 115.11 116.25 1o8t h GLN 34 Ca 0.11 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1o8t h GLN 34 Cb 0.59 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1o8t h GLN 34 CO -0.46 0.70 -0.09 -0.97 -0.67 0.00 0.00 178.83 177.34 1o8t h ASN 35 N 0.67 0.00 -0.41 1.46 -0.73 0.68 -1.35 115.58 115.91 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 0.00 177.43 177.55 1o8t h LEU 36 N 0.00 0.13 -1.01 0.34 6.46 0.58 0.11 115.31 121.93 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 0.11 0.19 0.22 -0.62 0.00 0.00 178.44 178.35 1o8t h TYR 37 N 0.29 0.93 0.22 1.25 5.03 -1.30 -3.07 116.97 120.31 1o8t h TYR 37 Ca 0.19 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1o8t h TYR 37 Cb 0.18 -0.28 -0.02 0.00 1.55 0.00 0.00 36.73 38.17 1o8t h TYR 37 CO -0.16 0.74 -0.21 0.93 -1.32 0.00 0.00 178.16 178.15 1o8t h GLU 38 N 0.88 -0.44 0.00 1.82 4.39 0.02 -2.11 114.58 119.14 1o8t h GLU 38 Ca 0.20 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1o8t h GLU 38 Cb 0.25 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1o8t h GLU 38 CO -0.01 -0.29 0.08 0.87 -1.16 0.00 0.00 179.01 178.50 1o8t h LYS 39 N -0.45 0.00 -0.11 2.33 1.79 -0.80 -1.24 116.57 118.07 1o8t h LYS 39 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1o8t h LYS 39 Cb 0.42 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.08 1o8t h LYS 39 CO -0.04 0.00 -0.82 1.15 -1.08 0.00 0.00 179.45 178.66 1o8t h THR 40 N 0.00 1.28 0.63 -0.16 2.02 -1.35 -3.35 112.91 111.98 1o8t h THR 40 Ca 0.00 -2.02 -0.03 0.00 0.77 0.00 0.00 66.41 65.13 1o8t h THR 40 Cb 0.16 2.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1o8t h THR 40 CO 0.00 0.64 -0.30 1.88 0.37 0.00 0.00 175.52 178.10 1o8t h TYR 41 N 0.47 -0.78 -3.93 3.16 0.05 -1.24 -3.45 116.97 111.26 1o8t h TYR 41 Ca -0.07 -0.02 -0.48 0.00 0.05 0.00 0.00 58.73 58.21 1o8t h TYR 41 Cb 1.45 0.26 0.01 0.00 1.01 0.00 0.00 36.73 39.46 1o8t h TYR 41 CO 0.09 -0.45 0.23 -0.51 -1.05 0.00 0.00 178.16 176.48 1o8t s LEU 42 N -9.57 3.74 -0.30 3.88 1.02 -1.19 -4.99 118.68 111.27 1o8t s LEU 42 Ca -0.14 1.33 0.02 0.00 0.02 0.00 0.00 54.13 55.36 1o8t s LEU 42 Cb 0.02 -4.24 0.38 0.00 0.02 0.00 0.00 46.19 42.37 1o8t s LEU 42 CO 0.46 -0.48 1.65 -0.81 0.02 0.00 0.00 176.35 177.18 1o8t n PRO 43 N -1.42 1.81 0.21 1.29 -0.04 -1.26 -4.50 135.00 131.08 1o8t n PRO 43 Ca 0.04 -1.86 0.15 0.00 -0.04 0.00 0.00 63.50 61.79 1o8t n PRO 43 Cb 0.54 -1.73 0.68 0.00 -0.04 0.00 0.00 33.50 32.95 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 1.43 1.00 -0.99 0.55 0.00 -1.94 -3.06 119.26 116.25 1o8t h ALA 44 Ca 0.39 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.42 1o8t h ALA 44 Cb 1.91 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.62 1o8t h ALA 44 CO 0.73 0.00 0.63 -0.24 0.00 0.00 0.00 179.25 180.37 1o8t h VAL 45 N 0.00 0.92 -0.27 0.00 3.04 -1.86 0.16 116.25 118.23 1o8t h VAL 45 Ca 0.00 -0.34 -0.14 0.00 -1.01 0.00 0.00 66.70 65.22 1o8t h VAL 45 Cb 0.24 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.37 1o8t h VAL 45 CO 0.00 0.18 -0.39 0.44 -1.01 0.00 0.00 177.57 176.79 1o8t h ASP 46 N 0.98 0.67 -0.29 3.17 3.32 -1.93 -3.12 116.42 119.22 1o8t h ASP 46 Ca 0.49 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1o8t h ASP 46 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1o8t h ASP 46 CO -0.26 0.98 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.08 1o8t h GLU 47 N 0.52 0.57 -0.27 3.56 4.57 -1.35 -2.92 114.58 119.26 1o8t h GLU 47 Ca 0.05 -0.22 0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1o8t h GLU 47 Cb 0.90 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1o8t h GLU 47 CO 0.08 0.77 0.27 0.87 -1.18 0.00 0.00 179.01 179.82 1o8t h LYS 48 N 0.32 0.00 0.26 1.92 1.79 -0.99 0.41 116.57 120.29 1o8t h LYS 48 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1o8t h LYS 48 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1o8t h LYS 48 CO 0.03 0.00 -0.12 1.25 -1.08 0.00 0.00 179.45 179.53 1o8t h LEU 49 N 0.00 -0.29 -1.38 2.94 7.12 -1.45 -0.47 115.31 121.77 1o8t h LEU 49 Ca 0.13 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 1o8t h LEU 49 Cb 0.66 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.85 1o8t h LEU 49 CO -0.00 -0.18 0.02 0.03 -0.13 0.00 0.00 178.44 178.18 1o8t h ARG 50 N -0.40 0.43 0.39 1.25 -0.00 -1.58 -1.45 114.38 113.03 1o8t h ARG 50 Ca -0.04 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.98 59.36 1o8t h ARG 50 Cb 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.14 1o8t h ARG 50 CO 0.06 0.44 -0.38 0.22 0.00 0.00 0.00 179.97 180.32 1o8t h ASP 51 N 0.42 -1.01 1.19 7.04 3.58 -0.16 -2.15 116.42 125.34 1o8t h ASP 51 Ca 0.10 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1o8t h ASP 51 Cb 0.24 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1o8t h ASP 51 CO 0.00 -0.53 0.00 -0.07 -2.88 0.00 0.00 179.24 175.77 1o8t h LEU 52 N -0.78 0.00 -0.06 2.28 3.38 -0.96 -3.19 115.31 115.98 1o8t h LEU 52 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1o8t h LEU 52 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1o8t h LEU 52 CO -0.05 0.00 -0.01 1.88 0.09 0.00 0.00 178.44 180.34 1o8t h TYR 53 N 0.00 0.13 -0.17 1.13 -1.99 -0.71 0.83 116.97 116.18 1o8t h TYR 53 Ca 0.00 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 1o8t h TYR 53 Cb 0.60 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.29 1o8t h TYR 53 CO 0.00 0.45 0.10 1.03 -0.00 0.00 0.00 178.16 179.74 1o8t h SER 54 N -0.23 0.21 -0.57 3.88 0.87 -1.41 -0.63 113.55 115.68 1o8t h SER 54 Ca 0.01 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1o8t h SER 54 Cb 0.41 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1o8t h SER 54 CO 0.01 0.20 0.30 0.11 -0.53 0.00 0.00 176.83 176.92 1o8t h LYS 55 N 0.20 0.80 -0.40 2.24 1.79 -1.57 -3.05 116.57 116.58 1o8t h LYS 55 Ca 0.06 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1o8t h LYS 55 Cb 0.03 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 1o8t h LYS 55 CO -0.01 0.62 0.17 0.77 -1.08 0.00 0.00 179.45 179.93 1o8t h SER 56 N 0.76 0.54 -0.18 0.86 0.02 -0.60 0.68 113.55 115.63 1o8t h SER 56 Ca 0.20 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1o8t h SER 56 Cb 0.07 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1o8t h SER 56 CO -0.03 0.54 0.13 0.71 -1.14 0.00 0.00 176.83 177.05 1o8t h THR 57 N 0.51 0.88 0.00 -2.27 1.35 -1.02 0.39 112.91 112.76 1o8t h THR 57 Ca 0.14 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.87 1o8t h THR 57 Cb 0.16 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 1o8t h THR 57 CO -0.01 0.00 -0.79 0.00 -0.25 0.00 0.00 175.52 174.47 1o8t h ALA 58 N 1.90 0.14 0.68 6.62 0.00 -1.39 -3.27 119.26 123.95 1o8t h ALA 58 Ca 0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1o8t h ALA 58 Cb 0.36 0.51 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1o8t h ALA 58 CO -0.00 0.49 -0.33 0.00 0.00 0.00 0.00 179.25 179.41 1o8t h ALA 59 N -0.57 -0.92 0.00 0.00 0.00 -0.75 -2.85 119.26 114.18 1o8t h ALA 59 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1o8t h ALA 59 Cb 0.97 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1o8t h ALA 59 CO -0.11 -0.95 0.00 -1.33 0.00 0.00 0.00 179.25 176.86 1o8t n MET 60 N -5.44 0.05 0.28 0.00 2.81 0.14 -2.03 117.12 112.92 1o8t n MET 60 Ca -0.13 0.50 0.18 0.00 -1.81 0.00 0.00 57.70 56.44 1o8t n MET 60 Cb 0.38 -1.63 0.81 0.00 -0.71 0.00 0.00 33.22 32.07 1o8t n MET 60 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1o8t h SER 61 N 0.00 0.00 0.00 7.83 0.87 -1.55 0.56 113.55 121.26 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 0.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.95 1o8t h SER 61 CO 0.00 0.00 -2.34 0.41 -0.53 0.00 0.00 176.83 174.37 1o8t n THR 62 N -2.97 1.32 0.29 2.23 -1.04 -0.86 -4.44 114.28 108.81 1o8t n THR 62 Ca -0.00 -0.35 0.14 0.00 -2.04 0.00 0.00 64.05 61.80 1o8t n THR 62 Cb 0.22 -1.78 0.67 0.00 -1.82 0.00 0.00 70.33 67.62 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 -0.79 0.00 0.41 -1.42 0.05 -1.56 -1.53 116.97 112.13 1o8t h TYR 63 Ca -0.60 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.16 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.30 1o8t h TYR 63 CO -0.07 0.00 -0.20 1.15 -1.05 0.00 0.00 178.16 177.99 1o8t h THR 64 N 0.00 0.00 -0.67 -2.88 2.02 -1.09 0.59 112.91 110.88 1o8t h THR 64 Ca 0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1o8t h THR 64 Cb 0.22 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1o8t h THR 64 CO 0.00 0.00 0.32 1.23 0.37 0.00 0.00 175.52 177.44 1o8t h GLY 65 N -0.91 1.02 0.84 2.16 0.00 -1.76 -1.17 103.07 103.24 1o8t h GLY 65 Ca -0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1o8t h GLY 65 CO 0.09 0.46 -0.38 -2.22 0.00 0.00 0.00 176.54 174.50 1o8t h ILE 66 N 0.95 0.08 -0.19 2.60 1.08 -1.32 0.58 117.51 121.29 1o8t h ILE 66 Ca 0.23 -0.20 0.05 0.00 -0.39 0.00 0.00 64.86 64.56 1o8t h ILE 66 Cb 0.09 0.10 -0.07 0.00 -3.07 0.00 0.00 36.82 33.87 1o8t h ILE 66 CO -0.03 0.01 -0.34 0.15 -0.69 0.00 0.00 178.15 177.24 1o8t h PHE 67 N -1.23 -0.96 0.00 1.37 3.57 0.30 0.56 116.94 120.55 1o8t h PHE 67 Ca -0.11 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o8t h PHE 67 Cb 0.82 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1o8t h PHE 67 CO -0.00 -0.41 -0.00 1.79 -2.23 0.00 0.00 178.31 177.45 1o8t h THR 68 N -0.39 0.02 0.65 4.41 1.35 -1.26 -2.86 112.91 114.83 1o8t h THR 68 Ca 0.11 -0.25 -0.02 0.00 -0.55 0.00 0.00 66.41 65.70 1o8t h THR 68 Cb 0.56 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1o8t h THR 68 CO -0.40 0.00 -0.46 -0.78 -0.25 0.00 0.00 175.52 173.64 1o8t h ASP 69 N 0.00 -1.18 0.71 5.36 1.82 0.15 0.35 116.42 123.63 1o8t h ASP 69 Ca -0.00 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.66 1o8t h ASP 69 Cb 0.24 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1o8t h ASP 69 CO 0.00 -0.67 -0.28 1.56 -1.61 0.00 0.00 179.24 178.23 1o8t h GLN 70 N -1.06 0.00 0.26 0.28 7.50 -1.49 -1.95 115.11 118.66 1o8t h GLN 70 Ca -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.06 1o8t h GLN 70 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.40 1o8t h GLN 70 CO 0.04 0.28 -0.13 0.28 -1.50 0.00 0.00 178.83 177.81 1o8t h VAL 71 N 0.00 0.75 -0.75 -0.54 2.07 -1.24 -2.15 116.25 114.39 1o8t h VAL 71 Ca -0.00 -0.69 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1o8t h VAL 71 Cb 0.71 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1o8t h VAL 71 CO 0.04 0.14 0.49 -0.07 0.02 0.00 0.00 177.57 178.19 1o8t h LEU 72 N -0.75 0.65 -1.01 2.57 3.38 -0.26 -0.04 115.31 119.86 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1o8t h LEU 72 Cb 0.50 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1o8t h LEU 72 CO 0.06 0.41 0.65 -1.28 0.09 0.00 0.00 178.44 178.37 1o8t h SER 73 N 0.74 1.07 0.96 -0.43 0.87 -1.16 0.78 113.55 116.38 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 0.34 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1o8t h SER 73 CO -0.12 0.70 0.00 0.58 -0.53 0.00 0.00 176.83 177.46 1o8t h VAL 74 N 1.22 0.00 -0.68 2.23 2.07 -0.34 -2.95 116.25 117.80 1o8t h VAL 74 Ca 0.42 -0.39 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 1o8t h VAL 74 Cb 0.10 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1o8t h VAL 74 CO -0.15 0.00 0.16 0.25 0.02 0.00 0.00 177.57 177.85 1o8t h LEU 75 N 0.00 1.03 -0.22 2.57 7.12 -0.46 -0.75 115.31 124.60 1o8t h LEU 75 Ca 0.00 -0.22 -0.14 0.00 0.13 0.00 0.00 57.88 57.65 1o8t h LEU 75 Cb 0.48 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1o8t h LEU 75 CO 0.00 1.00 -0.40 0.11 -0.13 0.00 0.00 178.44 179.01 1o8t h LYS 76 N 1.04 0.67 -0.39 1.25 1.57 -1.52 0.98 116.57 120.17 1o8t h LYS 76 Ca 0.22 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1o8t h LYS 76 Cb 0.37 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1o8t h LYS 76 CO 0.00 1.04 0.06 0.78 -0.57 0.00 0.00 179.45 180.76 1o8t h GLY 77 N 0.37 0.69 0.12 3.86 0.00 -1.53 -3.30 103.07 103.29 1o8t h GLY 77 Ca 0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1o8t h GLY 77 CO 0.09 0.43 -0.01 0.83 0.00 0.00 0.00 176.54 177.89 1o8t h GLU 78 N 0.49 -0.02 -0.03 4.80 4.39 -1.20 -3.52 114.58 119.49 1o8t h GLU 78 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1o8t h GLU 78 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1o8t h GLU 78 CO 0.01 0.75 0.00 0.39 -1.16 0.00 0.00 179.01 179.00