#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 0.00 -0.07 -2.82 3.00 -1.26 -3.23 117.38 113.00 1o8t n GLN 2 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1o8t n GLN 2 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 30.24 29.94 1o8t n GLN 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.06 179.02 1o8t h GLN 3 N 0.00 0.00 -1.59 -1.09 7.50 -2.01 -3.38 115.11 114.54 1o8t h GLN 3 Ca 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 58.86 1o8t h GLN 3 Cb 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 27.48 27.41 1o8t h GLN 3 CO 0.00 0.37 0.36 -0.35 -1.50 0.00 0.00 178.83 177.72 1o8t n PRO 4 N -4.65 1.72 -1.40 1.46 -0.04 -1.26 -4.96 135.00 125.87 1o8t n PRO 4 Ca -0.09 -1.39 -0.30 0.00 -0.04 0.00 0.00 63.50 61.68 1o8t n PRO 4 Cb 0.27 -1.55 0.10 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.59 1.96 0.00 0.54 -0.44 -1.26 -3.99 119.66 114.88 1o8t s GLN 5 Ca 0.28 0.82 0.00 0.00 -2.50 0.00 0.00 55.36 53.96 1o8t s GLN 5 Cb 0.22 -1.89 0.00 0.00 -1.64 0.00 0.00 33.01 29.70 1o8t s GLN 5 CO -0.01 -1.75 0.00 0.94 0.50 0.00 0.00 175.29 174.97 1o8t n GLN 6 N -3.55 1.38 0.14 1.67 7.27 -1.26 -4.90 117.38 118.12 1o8t n GLN 6 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.13 1o8t n GLN 6 Cb 0.55 0.00 0.20 0.00 2.41 0.00 0.00 30.24 33.40 1o8t n GLN 6 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1o8t h ASP 7 N 0.00 0.06 -4.03 1.69 5.19 -2.03 -3.45 116.42 113.85 1o8t h ASP 7 Ca 0.00 -0.03 -0.47 0.00 -0.62 0.00 0.00 57.03 55.91 1o8t h ASP 7 Cb 0.00 -0.02 0.15 0.00 0.18 0.00 0.00 39.33 39.64 1o8t h ASP 7 CO 0.00 0.60 0.24 -1.83 -3.12 0.00 0.00 179.24 175.13 1o8t s GLU 8 N -3.78 1.03 0.20 3.56 1.03 -1.26 -4.98 118.70 114.50 1o8t s GLU 8 Ca -0.02 0.69 -0.30 0.00 0.03 0.00 0.00 54.97 55.37 1o8t s GLU 8 Cb 0.13 -1.79 -0.09 0.00 -0.80 0.00 0.00 34.13 31.58 1o8t s GLU 8 CO 0.76 -2.37 1.33 -1.64 -1.33 0.00 0.00 175.26 172.01 1o8t s MET 9 N -4.97 4.37 0.51 -4.83 -1.94 -1.26 -4.98 119.30 106.20 1o8t s MET 9 Ca 0.64 2.09 -0.21 0.00 -1.71 0.00 0.00 55.69 56.49 1o8t s MET 9 Cb -0.18 -3.19 -0.06 0.00 2.01 0.00 0.00 34.83 33.42 1o8t s MET 9 CO 0.57 -0.28 1.20 -1.25 -0.01 0.00 0.00 175.02 175.25 1o8t s PRO 10 N -0.10 3.44 0.29 2.03 0.04 -1.26 -5.00 135.00 134.44 1o8t s PRO 10 Ca 0.57 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1o8t s PRO 10 Cb -0.37 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 31.85 1o8t s PRO 10 CO 0.39 -0.84 1.14 0.45 0.04 0.00 0.00 177.00 178.18 1o8t s SER 11 N -1.40 7.17 -0.38 6.66 0.15 -1.20 -4.94 113.70 119.77 1o8t s SER 11 Ca 0.69 2.35 -0.27 0.00 0.70 0.00 0.00 55.95 59.42 1o8t s SER 11 Cb -0.30 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.33 1o8t s SER 11 CO 0.35 -0.22 2.12 -2.84 1.20 0.00 0.00 173.24 173.86 1o8t s PRO 12 N -1.50 2.80 0.16 5.44 0.02 -1.26 -4.79 135.00 135.87 1o8t s PRO 12 Ca 0.45 1.50 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 1o8t s PRO 12 Cb -0.33 -4.40 0.02 0.00 0.02 0.00 0.00 34.50 29.81 1o8t s PRO 12 CO 0.43 -2.48 1.44 0.00 -0.33 0.00 0.00 177.00 176.06 1o8t h THR 13 N 7.19 1.31 -0.38 0.99 1.03 -1.94 -2.72 112.91 118.40 1o8t h THR 13 Ca -0.32 -1.86 -0.03 0.00 -0.01 0.00 0.00 66.41 64.20 1o8t h THR 13 Cb 1.22 1.81 -0.02 0.00 -1.07 0.00 0.00 68.15 70.10 1o8t h THR 13 CO 1.07 0.58 0.13 -0.26 -0.01 0.00 0.00 175.52 177.04 1o8t h PHE 14 N 0.48 0.59 0.49 0.00 0.04 -1.99 -0.60 116.94 115.96 1o8t h PHE 14 Ca -0.00 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1o8t h PHE 14 Cb 1.19 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.17 1o8t h PHE 14 CO 0.06 0.55 -0.24 -0.07 -0.60 0.00 0.00 178.31 178.01 1o8t h LEU 15 N 0.46 -0.56 -1.64 1.54 4.07 -1.97 -2.93 115.31 114.28 1o8t h LEU 15 Ca 0.12 -0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.11 1o8t h LEU 15 Cb 0.23 0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 1o8t h LEU 15 CO -0.01 -0.31 0.34 0.71 -1.08 0.00 0.00 178.44 178.09 1o8t h THR 16 N -0.78 0.97 -0.06 0.22 1.35 -1.49 -1.75 112.91 111.37 1o8t h THR 16 Ca -0.07 -0.15 -0.02 0.00 -0.55 0.00 0.00 66.41 65.62 1o8t h THR 16 Cb 0.56 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1o8t h THR 16 CO 0.11 0.08 -0.07 -0.61 -0.25 0.00 0.00 175.52 174.78 1o8t h GLN 17 N 0.44 0.09 -0.47 4.72 -0.00 -0.92 -3.27 115.11 115.70 1o8t h GLN 17 Ca 0.22 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.95 1o8t h GLN 17 Cb 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 27.48 27.68 1o8t h GLN 17 CO -0.06 0.17 -0.12 1.55 0.00 0.00 0.00 178.83 180.38 1o8t n VAL 18 N -4.40 -0.20 0.10 2.39 3.14 -0.66 0.22 118.33 118.92 1o8t n VAL 18 Ca -0.02 1.07 -0.15 0.00 -2.96 0.00 0.00 64.34 62.29 1o8t n VAL 18 Cb 0.18 -1.48 -0.08 0.00 -1.06 0.00 0.00 33.84 31.40 1o8t n VAL 18 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 1o8t h LYS 19 N 0.00 -0.63 0.00 1.45 1.57 -1.80 -0.79 116.57 116.37 1o8t h LYS 19 Ca 0.22 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1o8t h LYS 19 Cb 0.34 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1o8t h LYS 19 CO -0.48 -0.42 -0.12 0.93 -0.57 0.00 0.00 179.45 178.78 1o8t h GLU 20 N -0.66 0.00 -0.81 3.15 3.07 -0.48 -2.55 114.58 116.31 1o8t h GLU 20 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1o8t h GLU 20 Cb 0.70 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.57 1o8t h GLU 20 CO -0.28 0.12 0.36 1.03 -1.40 0.00 0.00 179.01 178.83 1o8t h SER 21 N 0.00 1.08 -0.21 1.42 0.87 0.33 -0.63 113.55 116.42 1o8t h SER 21 Ca -0.00 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.28 1o8t h SER 21 Cb 0.30 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1o8t h SER 21 CO 0.02 0.94 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.84 1o8t h LEU 22 N 1.16 0.65 0.31 2.23 4.07 -0.95 -2.02 115.31 120.77 1o8t h LEU 22 Ca 0.27 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 1o8t h LEU 22 Cb 0.17 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 1o8t h LEU 22 CO -0.03 1.06 -0.19 0.28 -1.08 0.00 0.00 178.44 178.48 1o8t h SER 23 N 0.27 -0.47 0.39 -0.43 0.02 -1.36 -0.60 113.55 111.37 1o8t h SER 23 Ca 0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1o8t h SER 23 Cb 0.93 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1o8t h SER 23 CO 0.08 -0.30 0.00 0.77 -1.14 0.00 0.00 176.83 176.23 1o8t h SER 24 N -0.48 0.00 0.11 3.07 4.64 -1.18 -2.48 113.55 117.22 1o8t h SER 24 Ca -0.03 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.11 1o8t h SER 24 Cb 0.40 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1o8t h SER 24 CO 0.04 0.00 -0.77 0.22 -0.87 0.00 0.00 176.83 175.45 1o8t h TYR 25 N 0.00 0.57 -0.43 4.77 3.20 -0.53 -3.31 116.97 121.24 1o8t h TYR 25 Ca 0.00 -0.38 -0.05 0.00 3.14 0.00 0.00 58.73 61.44 1o8t h TYR 25 Cb 0.20 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1o8t h TYR 25 CO 0.00 1.27 0.06 -1.49 -1.64 0.00 0.00 178.16 176.36 1o8t h TRP 26 N -0.29 0.68 -0.90 -3.82 4.06 -0.72 0.29 115.95 115.24 1o8t h TRP 26 Ca -0.13 -0.06 0.10 0.00 2.06 0.00 0.00 58.89 60.86 1o8t h TRP 26 Cb 1.56 -0.20 -0.12 0.00 -1.00 0.00 0.00 29.16 29.40 1o8t h TRP 26 CO 0.18 0.61 -0.54 0.93 -3.56 0.00 0.00 178.44 176.06 1o8t h GLU 27 N 0.63 -0.06 -0.01 0.49 5.08 -1.56 0.31 114.58 119.47 1o8t h GLU 27 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1o8t h GLU 27 Cb 0.31 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1o8t h GLU 27 CO 0.00 -0.04 -0.34 0.43 -1.00 0.00 0.00 179.01 178.06 1o8t n SER 28 N -5.31 1.62 -0.18 1.42 7.64 -1.19 -4.28 113.62 113.34 1o8t n SER 28 Ca 0.03 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1o8t n SER 28 Cb 0.30 0.29 0.25 0.00 -1.01 0.00 0.00 64.21 64.04 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 3.86 1.44 -0.28 -0.43 0.00 0.13 -2.84 119.26 121.14 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 0.65 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1o8t h ALA 29 CO 0.00 0.49 -0.12 -0.22 0.00 0.00 0.00 179.25 179.39 1o8t h LYS 30 N 0.94 -0.08 -1.01 0.00 3.64 -1.71 0.25 116.57 118.61 1o8t h LYS 30 Ca 0.25 0.01 0.25 0.00 -1.27 0.00 0.00 60.65 59.88 1o8t h LYS 30 Cb -0.04 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 31.67 1o8t h LYS 30 CO -0.05 -0.05 0.60 1.15 -2.27 0.00 0.00 179.45 178.83 1o8t h THR 31 N -0.08 0.53 -0.33 1.00 2.02 -1.79 0.39 112.91 114.64 1o8t h THR 31 Ca 0.14 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1o8t h THR 31 Cb 0.30 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1o8t h THR 31 CO -0.33 0.10 0.16 0.00 0.37 0.00 0.00 175.52 175.82 1o8t h ALA 32 N 1.73 0.42 -0.44 6.16 0.00 -0.99 -0.42 119.26 125.72 1o8t h ALA 32 Ca 0.65 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.55 1o8t h ALA 32 Cb 1.25 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1o8t h ALA 32 CO -0.48 -0.02 -0.23 0.00 0.00 0.00 0.00 179.25 178.53 1o8t h ALA 33 N 1.01 0.07 -0.62 0.00 0.00 0.65 0.43 119.26 120.80 1o8t h ALA 33 Ca 0.11 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1o8t h ALA 33 Cb 0.12 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1o8t h ALA 33 CO -0.01 -0.58 0.13 1.96 0.00 0.00 0.00 179.25 180.74 1o8t h GLN 34 N -0.14 1.00 0.00 0.00 7.50 -1.27 -1.93 115.11 120.26 1o8t h GLN 34 Ca 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1o8t h GLN 34 Cb 0.46 -0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.86 1o8t h GLN 34 CO -0.52 0.90 -0.07 -0.97 -1.50 0.00 0.00 178.83 176.67 1o8t h ASN 35 N 0.95 0.00 -0.41 1.46 -0.73 0.86 -1.51 115.58 116.20 1o8t h ASN 35 Ca 0.20 0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.42 1o8t h ASN 35 Cb 0.37 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 38.92 1o8t h ASN 35 CO 0.01 0.07 0.14 0.25 -0.37 0.00 0.00 177.43 177.52 1o8t h LEU 36 N 0.00 0.13 -0.90 0.34 5.85 0.56 0.26 115.31 121.55 1o8t h LEU 36 Ca -0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1o8t h LEU 36 Cb 0.14 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1o8t h LEU 36 CO 0.01 0.11 0.25 1.88 -0.34 0.00 0.00 178.44 180.35 1o8t h TYR 37 N 0.29 1.08 0.06 1.25 0.05 -1.33 -3.04 116.97 115.33 1o8t h TYR 37 Ca 0.19 -0.08 0.01 0.00 0.05 0.00 0.00 58.73 58.90 1o8t h TYR 37 Cb 0.19 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1o8t h TYR 37 CO -0.16 0.84 -0.12 0.93 -1.05 0.00 0.00 178.16 178.59 1o8t h GLU 38 N 1.03 -0.23 0.00 4.88 3.07 -0.29 -1.97 114.58 121.06 1o8t h GLU 38 Ca 0.23 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1o8t h GLU 38 Cb 0.24 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1o8t h GLU 38 CO -0.01 -0.15 0.16 0.87 -1.40 0.00 0.00 179.01 178.48 1o8t h LYS 39 N -0.24 0.00 -0.03 2.33 1.79 -0.49 -1.08 116.57 118.86 1o8t h LYS 39 Ca 0.03 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.37 1o8t h LYS 39 Cb 0.26 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1o8t h LYS 39 CO -0.08 0.00 -0.48 1.15 -1.08 0.00 0.00 179.45 178.96 1o8t h THR 40 N 0.00 1.44 0.34 -0.16 2.02 -1.35 -3.35 112.91 111.84 1o8t h THR 40 Ca 0.00 -1.96 -0.02 0.00 0.77 0.00 0.00 66.41 65.20 1o8t h THR 40 Cb 0.33 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1o8t h THR 40 CO 0.00 0.57 -0.16 1.88 0.37 0.00 0.00 175.52 178.17 1o8t h TYR 41 N -0.15 -0.42 -3.72 3.16 0.05 -1.20 -3.45 116.97 111.24 1o8t h TYR 41 Ca -0.05 -0.01 -0.49 0.00 0.05 0.00 0.00 58.73 58.22 1o8t h TYR 41 Cb 1.18 0.14 -0.03 0.00 1.01 0.00 0.00 36.73 39.03 1o8t h TYR 41 CO 0.14 -0.11 0.16 -0.51 -1.05 0.00 0.00 178.16 176.80 1o8t s LEU 42 N -9.58 4.20 -0.50 3.88 1.43 -1.04 -4.99 118.68 112.08 1o8t s LEU 42 Ca -0.14 1.46 -0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1o8t s LEU 42 Cb 0.02 -3.92 0.14 0.00 0.03 0.00 0.00 46.19 42.47 1o8t s LEU 42 CO 0.55 -0.10 2.54 -0.81 0.23 0.00 0.00 176.35 178.76 1o8t n PRO 43 N 0.19 2.39 0.20 1.29 -0.04 -1.26 -4.64 135.00 133.12 1o8t n PRO 43 Ca 0.01 -2.46 0.14 0.00 -0.04 0.00 0.00 63.50 61.15 1o8t n PRO 43 Cb 0.52 -2.10 0.66 0.00 -0.04 0.00 0.00 33.50 32.53 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 2.77 1.00 -0.96 0.55 0.00 -1.94 -3.32 119.26 117.36 1o8t h ALA 44 Ca 0.42 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.44 1o8t h ALA 44 Cb 0.64 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 1o8t h ALA 44 CO 0.98 0.00 -0.50 0.28 0.00 0.00 0.00 179.25 180.01 1o8t n VAL 45 N -2.52 -0.60 0.15 0.00 0.31 -1.26 -0.05 118.33 114.36 1o8t n VAL 45 Ca 0.00 2.31 -0.00 0.00 -0.01 0.00 0.00 64.34 66.64 1o8t n VAL 45 Cb 0.17 -2.92 0.21 0.00 -0.91 0.00 0.00 33.84 30.38 1o8t n VAL 45 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1o8t h ASP 46 N 0.00 0.00 0.25 4.52 5.19 -2.00 -2.89 116.42 121.49 1o8t h ASP 46 Ca 0.22 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1o8t h ASP 46 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1o8t h ASP 46 CO -0.93 0.56 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.31 1o8t h GLU 47 N 0.00 -0.33 0.00 3.56 3.07 -0.77 -2.96 114.58 117.16 1o8t h GLU 47 Ca -0.01 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1o8t h GLU 47 Cb 1.03 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1o8t h GLU 47 CO 0.07 0.01 -0.03 1.57 -1.40 0.00 0.00 179.01 179.24 1o8t h LYS 48 N -0.72 0.00 0.51 2.33 5.09 -0.53 0.11 116.57 123.35 1o8t h LYS 48 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.68 1o8t h LYS 48 Cb 0.49 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.82 1o8t h LYS 48 CO 0.06 0.03 -0.24 1.25 -2.09 0.00 0.00 179.45 178.45 1o8t h LEU 49 N 0.00 -0.58 -1.30 7.07 6.46 -1.36 0.31 115.31 125.91 1o8t h LEU 49 Ca -0.00 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1o8t h LEU 49 Cb 0.10 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1o8t h LEU 49 CO 0.00 -0.36 0.07 0.03 -0.62 0.00 0.00 178.44 177.56 1o8t h ARG 50 N -0.78 0.54 0.53 1.25 3.08 -1.36 -2.01 114.38 115.62 1o8t h ARG 50 Ca -0.07 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1o8t h ARG 50 Cb 0.52 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1o8t h ARG 50 CO 0.11 0.52 -0.43 0.22 -1.07 0.00 0.00 179.97 179.32 1o8t h ASP 51 N 0.53 -1.15 0.22 7.04 3.58 -0.70 -1.33 116.42 124.60 1o8t h ASP 51 Ca 0.12 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1o8t h ASP 51 Cb 0.24 0.36 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1o8t h ASP 51 CO -0.00 -0.60 -0.07 -0.07 -2.88 0.00 0.00 179.24 175.62 1o8t h LEU 52 N -0.93 0.00 -0.12 2.28 4.07 -0.87 -2.62 115.31 117.12 1o8t h LEU 52 Ca -0.07 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.86 1o8t h LEU 52 Cb 0.78 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 1o8t h LEU 52 CO -0.00 0.07 -0.03 0.22 -1.08 0.00 0.00 178.44 177.61 1o8t h TYR 53 N 0.00 0.26 -0.45 1.13 3.20 -0.85 -0.10 116.97 120.16 1o8t h TYR 53 Ca -0.00 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 1o8t h TYR 53 Cb 0.19 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1o8t h TYR 53 CO 0.00 0.53 0.27 1.03 -1.64 0.00 0.00 178.16 178.35 1o8t h SER 54 N -0.09 0.54 -0.47 -2.11 0.87 -0.90 -1.99 113.55 109.40 1o8t h SER 54 Ca 0.03 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1o8t h SER 54 Cb 0.45 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1o8t h SER 54 CO 0.01 0.45 0.25 0.11 -0.53 0.00 0.00 176.83 177.12 1o8t h LYS 55 N 0.60 0.67 0.00 2.24 1.79 -1.46 -2.41 116.57 117.99 1o8t h LYS 55 Ca 0.16 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1o8t h LYS 55 Cb 0.00 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.52 1o8t h LYS 55 CO -0.03 0.53 -0.04 1.03 -1.08 0.00 0.00 179.45 179.86 1o8t h SER 56 N 0.62 0.00 -0.63 0.86 0.87 -0.70 -2.04 113.55 112.53 1o8t h SER 56 Ca 0.17 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1o8t h SER 56 Cb 0.07 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1o8t h SER 56 CO -0.03 0.04 0.38 0.74 -0.53 0.00 0.00 176.83 177.44 1o8t h THR 57 N 0.00 1.05 0.08 2.23 2.02 -0.83 0.17 112.91 117.63 1o8t h THR 57 Ca -0.00 -0.25 -0.28 0.00 0.77 0.00 0.00 66.41 66.65 1o8t h THR 57 Cb 0.18 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1o8t h THR 57 CO 0.01 0.13 -1.49 0.00 0.37 0.00 0.00 175.52 174.54 1o8t h ALA 58 N 1.29 0.27 0.68 6.16 0.00 -1.62 -3.25 119.26 122.78 1o8t h ALA 58 Ca 0.26 -1.19 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 1o8t h ALA 58 Cb 0.06 0.61 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1o8t h ALA 58 CO -0.12 0.90 -0.32 0.00 0.00 0.00 0.00 179.25 179.71 1o8t h ALA 59 N -0.14 -0.91 0.00 0.00 0.00 -1.38 -2.92 119.26 113.91 1o8t h ALA 59 Ca -0.34 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1o8t h ALA 59 Cb 1.68 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1o8t h ALA 59 CO -0.01 -0.94 -0.01 1.98 0.00 0.00 0.00 179.25 180.26 1o8t h MET 60 N -1.04 0.00 0.00 0.00 4.05 -0.88 -1.16 114.93 115.89 1o8t h MET 60 Ca -0.09 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1o8t h MET 60 Cb 0.73 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1o8t h MET 60 CO 0.15 0.01 -0.16 0.77 0.23 0.00 0.00 176.91 177.92 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.54 -0.98 113.55 112.43 1o8t h SER 61 Ca -0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1o8t h SER 61 Cb 0.11 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1o8t h SER 61 CO 0.00 0.16 -2.08 1.07 -1.14 0.00 0.00 176.83 174.84 1o8t n THR 62 N -3.54 1.08 0.30 -2.27 5.66 -0.75 -4.47 114.28 110.29 1o8t n THR 62 Ca -0.01 -0.35 0.18 0.00 -3.05 0.00 0.00 64.05 60.81 1o8t n THR 62 Cb 0.30 -1.41 0.85 0.00 -1.55 0.00 0.00 70.33 68.52 1o8t n THR 62 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 1o8t h TYR 63 N -0.29 0.00 0.44 1.09 0.05 -1.31 -0.55 116.97 116.39 1o8t h TYR 63 Ca -0.45 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.31 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.31 1o8t h TYR 63 CO -0.01 0.00 -0.21 1.15 -1.05 0.00 0.00 178.16 178.04 1o8t h THR 64 N 0.00 0.26 -0.55 -2.88 2.02 -1.39 0.60 112.91 110.97 1o8t h THR 64 Ca 0.00 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.52 1o8t h THR 64 Cb 0.25 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1o8t h THR 64 CO 0.00 0.06 0.07 1.23 0.37 0.00 0.00 175.52 177.25 1o8t h GLY 65 N -1.06 0.96 0.78 2.16 0.00 -1.75 -1.47 103.07 102.69 1o8t h GLY 65 Ca -0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.62 1o8t h GLY 65 CO 0.10 0.57 -0.37 -2.22 0.00 0.00 0.00 176.54 174.61 1o8t h ILE 66 N 0.84 0.00 -0.27 2.60 1.08 -1.12 0.51 117.51 121.15 1o8t h ILE 66 Ca 0.17 -0.17 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1o8t h ILE 66 Cb 0.40 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.07 1o8t h ILE 66 CO 0.01 0.00 -0.28 -0.26 -0.69 0.00 0.00 178.15 176.93 1o8t h PHE 67 N -1.22 -0.77 0.00 1.37 -1.00 0.23 0.98 116.94 116.54 1o8t h PHE 67 Ca -0.11 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 1o8t h PHE 67 Cb 0.80 0.38 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 1o8t h PHE 67 CO 0.01 -0.35 -0.02 1.15 -1.61 0.00 0.00 178.31 177.49 1o8t h THR 68 N -0.28 0.10 0.50 -1.55 2.02 -1.32 -2.98 112.91 109.40 1o8t h THR 68 Ca 0.14 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1o8t h THR 68 Cb 0.50 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1o8t h THR 68 CO -0.43 0.02 -0.38 -0.78 0.37 0.00 0.00 175.52 174.32 1o8t h ASP 69 N 0.00 -0.99 0.81 4.18 1.82 0.16 0.74 116.42 123.13 1o8t h ASP 69 Ca -0.00 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.67 1o8t h ASP 69 Cb 0.25 0.31 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1o8t h ASP 69 CO 0.00 -0.56 -0.19 1.56 -1.61 0.00 0.00 179.24 178.45 1o8t h GLN 70 N -0.86 0.00 0.33 0.28 1.08 -1.49 -1.91 115.11 112.54 1o8t h GLN 70 Ca -0.05 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1o8t h GLN 70 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1o8t h GLN 70 CO 0.01 0.19 -0.16 0.28 -0.95 0.00 0.00 178.83 178.20 1o8t h VAL 71 N 0.00 0.62 -0.79 -0.54 2.07 -1.30 -1.86 116.25 114.45 1o8t h VAL 71 Ca -0.00 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1o8t h VAL 71 Cb 0.64 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1o8t h VAL 71 CO 0.02 0.11 0.52 -0.07 0.02 0.00 0.00 177.57 178.17 1o8t h LEU 72 N -0.83 0.72 -1.12 2.57 4.07 -0.82 -0.17 115.31 119.74 1o8t h LEU 72 Ca -0.05 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1o8t h LEU 72 Cb 0.52 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.06 1o8t h LEU 72 CO 0.07 0.45 0.60 -1.28 -1.08 0.00 0.00 178.44 177.21 1o8t h SER 73 N 0.81 0.96 1.08 -0.43 0.87 -1.16 0.99 113.55 116.67 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 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1o8t h SER 73 CO -0.13 0.63 0.00 0.58 -0.53 0.00 0.00 176.83 177.38 1o8t h VAL 74 N 1.09 0.00 -0.35 2.23 2.07 -0.18 -2.83 116.25 118.29 1o8t h VAL 74 Ca 0.39 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1o8t h VAL 74 Cb 0.13 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1o8t h VAL 74 CO -0.14 0.00 -0.03 0.25 0.02 0.00 0.00 177.57 177.68 1o8t h LEU 75 N 0.00 0.53 -0.03 2.57 7.12 -0.42 0.13 115.31 125.21 1o8t h LEU 75 Ca 0.00 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 1o8t h LEU 75 Cb 0.54 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1o8t h LEU 75 CO 0.00 0.62 -0.05 0.11 -0.13 0.00 0.00 178.44 178.99 1o8t h LYS 76 N 0.53 0.08 0.00 1.25 1.79 -1.47 -2.87 116.57 115.88 1o8t h LYS 76 Ca 0.11 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1o8t h LYS 76 Cb 0.38 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1o8t h LYS 76 CO 0.02 0.62 0.00 0.41 -1.08 0.00 0.00 179.45 179.42 1o8t n GLY 77 N 0.42 0.20 0.26 3.86 0.00 -1.15 -4.60 105.19 104.19 1o8t n GLY 77 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1o8t n GLY 77 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1o8t h GLU 78 N 0.00 -0.58 0.00 1.61 4.22 -1.11 -3.51 114.58 115.20 1o8t h GLU 78 Ca 0.00 0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1o8t h GLU 78 Cb 0.00 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1o8t h GLU 78 CO 0.00 -0.28 0.00 -1.91 -2.18 0.00 0.00 179.01 174.64