#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 3.84 -0.24 -0.78 -0.44 -1.26 -5.03 119.66 115.75 1o8t s GLN 2 Ca 0.00 0.46 -0.02 0.00 -2.50 0.00 0.00 55.36 53.30 1o8t s GLN 2 Cb 0.00 -3.78 0.02 0.00 -1.64 0.00 0.00 33.01 27.61 1o8t s GLN 2 CO 0.00 -0.82 -0.07 -0.65 0.50 0.00 0.00 175.29 174.26 1o8t s GLN 3 N 3.13 2.97 -1.18 1.67 -1.52 -1.26 -5.04 119.66 118.43 1o8t s GLN 3 Ca 0.33 -0.88 -0.22 0.00 -1.95 0.00 0.00 55.36 52.64 1o8t s GLN 3 Cb -0.13 -2.96 -0.05 0.00 -0.22 0.00 0.00 33.01 29.65 1o8t s GLN 3 CO 0.16 -0.34 1.88 -1.25 -0.25 0.00 0.00 175.29 175.49 1o8t s PRO 4 N 1.36 2.82 0.77 2.91 0.04 -1.26 -4.95 135.00 136.68 1o8t s PRO 4 Ca 0.02 -1.26 -0.13 0.00 0.04 0.00 0.00 61.00 59.67 1o8t s PRO 4 Cb -0.16 -5.29 0.19 0.00 0.04 0.00 0.00 34.50 29.28 1o8t s PRO 4 CO -0.05 -3.55 0.76 0.00 0.04 0.00 0.00 177.00 174.20 1o8t n GLN 5 N 8.37 -2.01 -0.49 4.56 10.64 -1.26 -5.05 117.38 132.14 1o8t n GLN 5 Ca 0.45 -1.21 -0.17 0.00 -1.83 0.00 0.00 57.00 54.25 1o8t n GLN 5 Cb 0.47 -1.03 0.14 0.00 -0.86 0.00 0.00 30.24 28.96 1o8t n GLN 5 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1o8t n GLN 6 N -3.48 -2.49 -2.18 2.61 10.64 -1.26 -4.90 117.38 116.32 1o8t n GLN 6 Ca 0.10 -0.94 -0.43 0.00 -1.83 0.00 0.00 57.00 53.91 1o8t n GLN 6 Cb 0.39 -0.94 -0.02 0.00 -0.86 0.00 0.00 30.24 28.80 1o8t n GLN 6 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1o8t s ASP 7 N -3.03 6.31 1.06 2.61 2.15 -1.26 -5.00 116.67 119.50 1o8t s ASP 7 Ca 0.39 1.35 -0.14 0.00 0.43 0.00 0.00 52.55 54.57 1o8t s ASP 7 Cb -0.04 -2.53 0.22 0.00 -0.30 0.00 0.00 42.92 40.26 1o8t s ASP 7 CO 0.30 -1.36 1.10 -1.61 -0.17 0.00 0.00 175.17 173.44 1o8t s GLU 8 N 4.86 -0.04 0.18 4.34 0.41 -1.26 -4.97 118.70 122.22 1o8t s GLU 8 Ca 0.69 0.31 -0.30 0.00 -0.41 0.00 0.00 54.97 55.26 1o8t s GLU 8 Cb -0.21 -1.70 -0.09 0.00 -1.78 0.00 0.00 34.13 30.35 1o8t s GLU 8 CO 0.30 -3.00 1.34 -1.64 -0.49 0.00 0.00 175.26 171.77 1o8t s MET 9 N -5.12 4.36 0.60 1.61 -1.94 -1.26 -5.03 119.30 112.53 1o8t s MET 9 Ca 0.67 2.08 -0.10 0.00 -1.71 0.00 0.00 55.69 56.63 1o8t s MET 9 Cb -0.16 -3.20 0.15 0.00 2.01 0.00 0.00 34.83 33.63 1o8t s MET 9 CO 0.57 -0.32 0.62 -0.35 -0.01 0.00 0.00 175.02 175.53 1o8t n PRO 10 N 2.95 -1.64 0.10 2.03 -0.04 -1.26 -5.02 135.00 132.13 1o8t n PRO 10 Ca 0.08 -0.98 -0.09 0.00 -0.04 0.00 0.00 63.50 62.46 1o8t n PRO 10 Cb 0.42 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.01 1o8t n PRO 10 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1o8t h SER 11 N -1.57 -0.29 -3.88 3.54 0.02 -2.07 -3.46 113.55 105.83 1o8t h SER 11 Ca -0.22 -0.18 -0.44 0.00 -0.84 0.00 0.00 61.79 60.10 1o8t h SER 11 Cb 0.65 0.08 0.16 0.00 0.14 0.00 0.00 62.40 63.43 1o8t h SER 11 CO 0.15 0.21 0.22 -2.16 -1.14 0.00 0.00 176.83 174.11 1o8t s PRO 12 N -3.28 0.17 0.38 3.45 0.04 -1.26 -5.01 135.00 129.49 1o8t s PRO 12 Ca -0.10 0.24 -0.26 0.00 0.04 0.00 0.00 61.00 60.92 1o8t s PRO 12 Cb 0.01 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.73 1o8t s PRO 12 CO 0.35 -2.84 1.14 0.99 0.04 0.00 0.00 177.00 176.68 1o8t s THR 13 N -3.12 3.30 0.47 1.26 2.01 -1.26 -4.93 115.64 113.36 1o8t s THR 13 Ca 0.67 1.10 0.15 0.00 0.31 0.00 0.00 61.69 63.91 1o8t s THR 13 Cb -0.14 -3.62 0.21 0.00 0.01 0.00 0.00 72.50 68.96 1o8t s THR 13 CO 0.56 0.11 2.04 -0.26 -0.69 0.00 0.00 174.62 176.37 1o8t h PHE 14 N 2.77 0.02 -0.42 4.92 0.04 -1.95 -2.10 116.94 120.22 1o8t h PHE 14 Ca -0.48 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.26 1o8t h PHE 14 Cb 1.23 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.35 1o8t h PHE 14 CO 0.56 0.14 0.14 1.25 -0.60 0.00 0.00 178.31 179.79 1o8t h LEU 15 N 0.02 0.56 -0.86 1.54 6.46 -2.02 -2.47 115.31 118.54 1o8t h LEU 15 Ca 0.00 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.74 1o8t h LEU 15 Cb 0.22 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.95 1o8t h LEU 15 CO 0.02 0.54 0.54 0.74 -0.62 0.00 0.00 178.44 179.65 1o8t h THR 16 N 0.61 1.08 -0.30 1.05 2.02 -1.76 -2.45 112.91 113.16 1o8t h THR 16 Ca 0.14 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1o8t h THR 16 Cb 0.18 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.55 1o8t h THR 16 CO -0.01 0.19 0.15 -0.61 0.37 0.00 0.00 175.52 175.61 1o8t h GLN 17 N 1.01 0.43 -0.49 6.66 -0.00 -1.52 -3.20 115.11 118.00 1o8t h GLN 17 Ca 0.36 -0.06 0.10 0.00 -0.00 0.00 0.00 58.65 59.05 1o8t h GLN 17 Cb 0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 27.48 27.41 1o8t h GLN 17 CO -0.15 0.39 -0.11 0.28 0.00 0.00 0.00 178.83 179.24 1o8t n VAL 18 N -4.79 -0.20 0.04 2.39 0.31 -0.92 0.25 118.33 115.41 1o8t n VAL 18 Ca -0.02 1.11 -0.12 0.00 -0.01 0.00 0.00 64.34 65.30 1o8t n VAL 18 Cb 0.10 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 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 -0.49 0.00 5.55 1.57 -1.67 -0.05 116.57 121.48 1o8t h LYS 19 Ca 0.24 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1o8t h LYS 19 Cb 0.38 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1o8t h LYS 19 CO -0.50 -0.33 -0.20 1.49 -0.57 0.00 0.00 179.45 179.34 1o8t h GLU 20 N -0.51 0.00 -0.69 3.15 4.22 -0.39 -2.29 114.58 118.07 1o8t h GLU 20 Ca 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.47 1o8t h GLU 20 Cb 0.61 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1o8t h GLU 20 CO -0.32 0.20 0.28 1.03 -2.18 0.00 0.00 179.01 178.02 1o8t h SER 21 N 0.00 0.93 -0.31 1.04 0.87 0.28 -1.90 113.55 114.47 1o8t h SER 21 Ca -0.00 -0.13 -0.18 0.00 -1.23 0.00 0.00 61.79 60.25 1o8t h SER 21 Cb 0.36 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1o8t h SER 21 CO 0.03 0.83 -0.52 0.25 -0.53 0.00 0.00 176.83 176.89 1o8t h LEU 22 N 1.00 0.98 -0.10 2.23 6.46 -0.51 -2.65 115.31 122.72 1o8t h LEU 22 Ca 0.23 -0.52 0.01 0.00 -0.12 0.00 0.00 57.88 57.48 1o8t h LEU 22 Cb 0.18 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 1o8t h LEU 22 CO -0.02 1.32 0.03 -1.28 -0.62 0.00 0.00 178.44 177.87 1o8t h SER 23 N 0.68 0.03 0.40 1.25 0.87 -1.19 0.13 113.55 115.72 1o8t h SER 23 Ca 0.02 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1o8t h SER 23 Cb 1.12 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1o8t h SER 23 CO 0.12 0.04 -0.01 0.28 -0.53 0.00 0.00 176.83 176.72 1o8t h SER 24 N 0.08 0.00 0.20 6.23 0.02 -1.37 -2.28 113.55 116.43 1o8t h SER 24 Ca 0.04 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.71 1o8t h SER 24 Cb 0.03 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.59 1o8t h SER 24 CO -0.05 0.01 -1.29 0.22 -1.14 0.00 0.00 176.83 174.57 1o8t h TYR 25 N 0.00 0.75 -0.55 3.45 3.20 -0.83 -3.33 116.97 119.67 1o8t h TYR 25 Ca -0.00 -0.55 -0.05 0.00 3.14 0.00 0.00 58.73 61.27 1o8t h TYR 25 Cb 0.21 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1o8t h TYR 25 CO 0.00 1.50 0.13 2.35 -1.64 0.00 0.00 178.16 180.50 1o8t h TRP 26 N -0.08 0.87 -0.92 -3.82 -0.00 -0.54 0.11 115.95 111.57 1o8t h TRP 26 Ca -0.24 -0.08 0.09 0.00 -0.00 0.00 0.00 58.89 58.66 1o8t h TRP 26 Cb 1.95 -0.25 -0.12 0.00 -0.00 0.00 0.00 29.16 30.74 1o8t h TRP 26 CO 0.15 0.73 -0.57 0.93 -0.00 0.00 0.00 178.44 179.68 1o8t h GLU 27 N 0.81 -0.05 0.00 2.65 5.08 -1.53 0.12 114.58 121.65 1o8t h GLU 27 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1o8t h GLU 27 Cb 0.30 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1o8t h GLU 27 CO -0.00 -0.03 -0.54 0.45 -1.00 0.00 0.00 179.01 177.89 1o8t n SER 28 N -5.29 0.56 0.26 1.42 2.88 -1.19 -4.00 113.62 108.26 1o8t n SER 28 Ca 0.02 -0.04 0.10 0.00 -1.33 0.00 0.00 58.87 57.61 1o8t n SER 28 Cb 0.28 0.18 0.69 0.00 -0.75 0.00 0.00 64.21 64.61 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 2.78 1.81 -0.41 -1.46 0.00 0.13 -2.78 119.26 119.33 1o8t h ALA 29 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1o8t h ALA 29 Cb 0.61 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1o8t h ALA 29 CO 0.00 0.04 0.00 -0.22 0.00 0.00 0.00 179.25 179.07 1o8t h LYS 30 N 0.00 0.11 -1.04 0.00 3.11 -1.60 0.34 116.57 117.49 1o8t h LYS 30 Ca -0.00 -0.01 0.27 0.00 -2.81 0.00 0.00 60.65 58.10 1o8t h LYS 30 Cb 0.06 -0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 31.16 1o8t h LYS 30 CO 0.00 0.07 0.65 1.15 -2.81 0.00 0.00 179.45 178.51 1o8t h THR 31 N 0.11 0.51 -0.62 1.00 2.02 -1.78 0.45 112.91 114.60 1o8t h THR 31 Ca 0.20 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1o8t h THR 31 Cb 0.29 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1o8t h THR 31 CO -0.34 0.08 0.29 0.00 0.37 0.00 0.00 175.52 175.93 1o8t h ALA 32 N 1.67 0.80 -0.29 6.16 0.00 -1.06 -0.53 119.26 126.01 1o8t h ALA 32 Ca 0.63 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.46 1o8t h ALA 32 Cb 1.44 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1o8t h ALA 32 CO -0.38 0.36 -0.36 0.00 0.00 0.00 0.00 179.25 178.88 1o8t h ALA 33 N 1.13 -0.34 -0.52 0.00 0.00 0.22 0.54 119.26 120.29 1o8t h ALA 33 Ca 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1o8t h ALA 33 Cb 0.12 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1o8t h ALA 33 CO -0.03 -0.80 0.07 1.96 0.00 0.00 0.00 179.25 180.46 1o8t h GLN 34 N -0.34 0.82 0.00 0.00 4.20 -1.39 -1.84 115.11 116.56 1o8t h GLN 34 Ca 0.13 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1o8t h GLN 34 Cb 0.56 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1o8t h GLN 34 CO -0.48 0.78 -0.07 -0.97 -0.67 0.00 0.00 178.83 177.42 1o8t h ASN 35 N 0.78 0.00 -0.35 1.46 -1.24 0.72 -1.56 115.58 115.39 1o8t h ASN 35 Ca 0.16 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.22 1o8t h ASN 35 Cb 0.37 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 1o8t h ASN 35 CO 0.01 0.07 0.08 0.25 -1.29 0.00 0.00 177.43 176.55 1o8t h LEU 36 N 0.00 0.03 -0.94 0.34 6.46 0.87 0.17 115.31 122.24 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 0.14 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1o8t h LEU 36 CO 0.01 0.05 0.23 1.88 -0.62 0.00 0.00 178.44 180.00 1o8t h TYR 37 N 0.20 1.03 0.71 1.25 0.05 -1.35 -3.00 116.97 115.85 1o8t h TYR 37 Ca 0.16 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 1o8t h TYR 37 Cb 0.18 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1o8t h TYR 37 CO -0.18 0.80 -0.47 1.49 -1.05 0.00 0.00 178.16 178.76 1o8t h GLU 38 N 0.98 -1.07 0.00 4.88 4.22 -0.27 -2.43 114.58 120.89 1o8t h GLU 38 Ca 0.22 0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1o8t h GLU 38 Cb 0.24 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1o8t h GLU 38 CO -0.01 -0.71 0.00 0.36 -2.18 0.00 0.00 179.01 176.46 1o8t n LYS 39 N -5.38 0.00 0.01 1.92 -0.00 0.38 -1.93 118.16 113.16 1o8t n LYS 39 Ca -0.14 0.44 -0.18 0.00 -0.00 0.00 0.00 58.31 58.44 1o8t n LYS 39 Cb 0.47 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.90 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1o8t h THR 40 N 0.00 1.35 0.01 0.58 2.02 -1.29 -3.33 112.91 112.26 1o8t h THR 40 Ca 0.00 -2.09 -0.00 0.00 0.77 0.00 0.00 66.41 65.09 1o8t h THR 40 Cb 0.01 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1o8t h THR 40 CO 0.00 0.63 -0.01 1.88 0.37 0.00 0.00 175.52 178.39 1o8t h TYR 41 N 0.16 -0.02 -3.83 3.16 0.05 -1.41 -3.44 116.97 111.63 1o8t h TYR 41 Ca -0.09 -0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.21 1o8t h TYR 41 Cb 1.43 0.01 -0.02 0.00 1.01 0.00 0.00 36.73 39.16 1o8t h TYR 41 CO 0.12 0.28 0.18 -0.51 -1.05 0.00 0.00 178.16 177.17 1o8t s LEU 42 N -9.61 3.97 -0.30 3.88 1.02 -1.22 -4.98 118.68 111.43 1o8t s LEU 42 Ca -0.15 1.37 0.01 0.00 0.02 0.00 0.00 54.13 55.38 1o8t s LEU 42 Cb 0.03 -4.21 0.30 0.00 0.02 0.00 0.00 46.19 42.33 1o8t s LEU 42 CO 0.66 -0.29 1.76 -0.81 0.02 0.00 0.00 176.35 177.69 1o8t n PRO 43 N -0.64 1.79 0.20 1.29 -0.04 -1.26 -4.50 135.00 131.83 1o8t n PRO 43 Ca 0.04 -1.68 0.15 0.00 -0.04 0.00 0.00 63.50 61.97 1o8t n PRO 43 Cb 0.54 -1.66 0.67 0.00 -0.04 0.00 0.00 33.50 33.01 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 1.50 1.00 -0.70 0.55 0.00 -1.94 -3.22 119.26 116.45 1o8t h ALA 44 Ca 0.33 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.40 1o8t h ALA 44 Cb 1.45 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.13 1o8t h ALA 44 CO 0.72 0.00 0.07 -0.39 0.00 0.00 0.00 179.25 179.65 1o8t h VAL 45 N 0.00 0.46 -0.10 0.00 -1.51 -1.86 0.22 116.25 113.47 1o8t h VAL 45 Ca 0.00 -0.06 -0.13 0.00 -1.23 0.00 0.00 66.70 65.28 1o8t h VAL 45 Cb 0.24 0.27 -0.01 0.00 -2.13 0.00 0.00 31.29 29.66 1o8t h VAL 45 CO 0.00 0.03 -0.53 -0.78 -1.23 0.00 0.00 177.57 175.06 1o8t h ASP 46 N 0.17 0.29 0.11 4.19 3.58 -1.96 -2.95 116.42 119.85 1o8t h ASP 46 Ca 0.38 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1o8t h ASP 46 Cb 0.65 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1o8t h ASP 46 CO -0.56 0.77 -0.05 -0.08 -2.88 0.00 0.00 179.24 176.44 1o8t h GLU 47 N 0.21 -0.14 -0.22 0.28 4.57 -1.10 -2.98 114.58 115.20 1o8t h GLU 47 Ca 0.00 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 1o8t h GLU 47 Cb 1.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1o8t h GLU 47 CO 0.08 0.22 0.21 0.87 -1.18 0.00 0.00 179.01 179.22 1o8t h LYS 48 N -0.52 0.00 0.46 1.92 6.56 -0.70 0.31 116.57 124.60 1o8t h LYS 48 Ca -0.01 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 1o8t h LYS 48 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1o8t h LYS 48 CO 0.02 0.00 -0.22 1.25 -2.06 0.00 0.00 179.45 178.44 1o8t h LEU 49 N 0.00 -0.52 -1.51 2.94 6.46 -1.36 -0.82 115.31 120.49 1o8t h LEU 49 Ca 0.11 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1o8t h LEU 49 Cb 0.53 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 1o8t h LEU 49 CO -0.00 -0.33 -0.06 -0.09 -0.62 0.00 0.00 178.44 177.34 1o8t h ARG 50 N -0.71 0.24 0.45 1.25 9.65 -1.45 -1.58 114.38 122.23 1o8t h ARG 50 Ca -0.06 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1o8t h ARG 50 Cb 0.47 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 1o8t h ARG 50 CO 0.10 0.32 -0.40 0.22 2.80 0.00 0.00 179.97 183.01 1o8t h ASP 51 N 0.23 -1.08 0.74 -3.80 1.82 -0.31 -0.77 116.42 113.25 1o8t h ASP 51 Ca 0.05 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1o8t h ASP 51 Cb 0.26 0.36 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1o8t h ASP 51 CO 0.01 -0.57 -0.13 0.25 -1.61 0.00 0.00 179.24 177.19 1o8t h LEU 52 N -0.86 0.00 -0.29 2.28 5.85 -1.01 -2.98 115.31 118.30 1o8t h LEU 52 Ca -0.04 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1o8t h LEU 52 Cb 0.75 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1o8t h LEU 52 CO -0.04 0.13 -0.07 1.88 -0.34 0.00 0.00 178.44 180.01 1o8t h TYR 53 N 0.00 0.63 -0.10 1.25 0.05 -0.62 -0.07 116.97 118.11 1o8t h TYR 53 Ca -0.00 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 1o8t h TYR 53 Cb 0.54 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1o8t h TYR 53 CO 0.00 0.75 0.06 0.77 -1.05 0.00 0.00 178.16 178.69 1o8t h SER 54 N 0.33 0.12 -0.58 3.88 0.02 -1.01 -2.21 113.55 114.09 1o8t h SER 54 Ca 0.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1o8t h SER 54 Cb 0.55 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1o8t h SER 54 CO 0.03 0.14 0.31 0.50 -1.14 0.00 0.00 176.83 176.66 1o8t h LYS 55 N 0.09 0.82 0.00 3.45 3.64 -1.53 -2.31 116.57 120.73 1o8t h LYS 55 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1o8t h LYS 55 Cb 0.04 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1o8t h LYS 55 CO -0.01 0.64 0.00 0.77 -2.27 0.00 0.00 179.45 178.58 1o8t h SER 56 N 0.79 0.00 -0.06 4.20 0.02 -0.76 -1.97 113.55 115.76 1o8t h SER 56 Ca 0.20 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1o8t h SER 56 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1o8t h SER 56 CO -0.03 0.00 -0.04 0.74 -1.14 0.00 0.00 176.83 176.36 1o8t h THR 57 N 0.00 0.89 0.11 -2.27 2.02 -0.80 0.50 112.91 113.35 1o8t h THR 57 Ca 0.00 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.87 1o8t h THR 57 Cb 0.14 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1o8t h THR 57 CO 0.00 0.00 -1.64 0.00 0.37 0.00 0.00 175.52 174.25 1o8t h ALA 58 N 1.03 0.28 0.84 6.16 0.00 -1.68 -3.25 119.26 122.64 1o8t h ALA 58 Ca 0.04 -1.23 -0.04 0.00 0.00 0.00 0.00 54.91 53.68 1o8t h ALA 58 Cb 0.09 0.60 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1o8t h ALA 58 CO -0.08 1.00 -0.40 0.00 0.00 0.00 0.00 179.25 179.77 1o8t h ALA 59 N -0.06 -1.18 0.00 0.00 0.00 -1.41 -3.00 119.26 113.61 1o8t h ALA 59 Ca -0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1o8t h ALA 59 Cb 1.82 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 20.05 1o8t h ALA 59 CO 0.04 -1.09 -0.00 1.98 0.00 0.00 0.00 179.25 180.17 1o8t h MET 60 N -1.25 0.00 0.00 0.00 4.05 -1.10 -1.95 114.93 114.69 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 0.86 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1o8t h MET 60 CO 0.19 0.00 0.00 0.77 0.23 0.00 0.00 176.91 178.10 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.55 -0.10 113.55 113.31 1o8t h SER 61 Ca -0.00 0.00 -0.44 0.00 -0.84 0.00 0.00 61.79 60.51 1o8t h SER 61 Cb 0.09 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 1o8t h SER 61 CO 0.00 0.00 -2.42 0.35 -1.14 0.00 0.00 176.83 173.62 1o8t n THR 62 N -2.87 1.53 0.30 -2.27 -2.24 -0.74 -4.29 114.28 103.70 1o8t n THR 62 Ca -0.00 -0.36 0.17 0.00 -2.27 0.00 0.00 64.05 61.59 1o8t n THR 62 Cb 0.22 -1.87 0.80 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.95 0.00 0.41 4.78 0.05 -1.54 -0.43 116.97 119.30 1o8t h TYR 63 Ca -0.66 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.10 1o8t h TYR 63 Cb 1.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.35 1o8t h TYR 63 CO -0.06 0.00 -0.20 1.15 -1.05 0.00 0.00 178.16 178.00 1o8t h THR 64 N 0.00 0.33 -0.42 -2.88 2.02 -1.20 0.55 112.91 111.30 1o8t h THR 64 Ca 0.00 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1o8t h THR 64 Cb 0.24 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1o8t h THR 64 CO 0.00 0.07 -0.09 1.23 0.37 0.00 0.00 175.52 177.10 1o8t h GLY 65 N -1.02 0.80 0.83 2.16 0.00 -1.71 -2.14 103.07 101.99 1o8t h GLY 65 Ca -0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1o8t h GLY 65 CO 0.09 0.54 -0.35 -2.22 0.00 0.00 0.00 176.54 174.60 1o8t h ILE 66 N 0.68 0.14 -0.09 2.60 1.08 -1.10 0.79 117.51 121.61 1o8t h ILE 66 Ca 0.12 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.41 1o8t h ILE 66 Cb 0.55 0.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.40 1o8t h ILE 66 CO 0.03 0.01 -0.42 -0.26 -0.69 0.00 0.00 178.15 176.82 1o8t h PHE 67 N -1.17 -1.21 0.00 1.37 0.04 0.11 0.18 116.94 116.26 1o8t h PHE 67 Ca -0.10 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1o8t h PHE 67 Cb 0.78 0.54 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1o8t h PHE 67 CO -0.00 -0.48 0.00 0.00 -0.60 0.00 0.00 178.31 177.23 1o8t h THR 68 N -0.52 0.00 0.34 -1.55 1.03 -1.45 -3.06 112.91 107.70 1o8t h THR 68 Ca 0.07 -0.23 -0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1o8t h THR 68 Cb 0.64 1.20 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1o8t h THR 68 CO -0.37 0.00 -0.29 -0.78 -0.01 0.00 0.00 175.52 174.07 1o8t h ASP 69 N 0.00 -0.76 0.70 0.00 1.82 0.13 0.19 116.42 118.50 1o8t h ASP 69 Ca 0.00 0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 1o8t h ASP 69 Cb 0.23 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1o8t h ASP 69 CO 0.00 -0.42 -0.29 -0.61 -1.61 0.00 0.00 179.24 176.31 1o8t h GLN 70 N -0.64 0.00 0.27 0.28 4.15 -1.48 -1.86 115.11 115.84 1o8t h GLN 70 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1o8t h GLN 70 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1o8t h GLN 70 CO -0.03 0.29 -0.13 0.28 -1.93 0.00 0.00 178.83 177.31 1o8t h VAL 71 N 0.00 0.75 -0.68 2.39 2.07 -1.37 -2.48 116.25 116.94 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 0.72 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1o8t h VAL 71 CO 0.04 0.14 0.45 0.25 0.02 0.00 0.00 177.57 178.46 1o8t h LEU 72 N -0.75 0.56 -1.15 2.57 6.46 -0.59 -0.04 115.31 122.36 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1o8t h LEU 72 Cb 0.50 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1o8t h LEU 72 CO 0.06 0.35 0.58 0.77 -0.62 0.00 0.00 178.44 179.58 1o8t h SER 73 N 0.63 0.92 1.03 1.25 4.64 -1.13 0.14 113.55 121.03 1o8t h SER 73 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1o8t h SER 73 Cb 0.37 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1o8t h SER 73 CO -0.10 0.60 0.00 0.58 -0.87 0.00 0.00 176.83 177.04 1o8t h VAL 74 N 1.05 0.00 -0.42 0.95 2.07 -0.54 -2.86 116.25 116.50 1o8t h VAL 74 Ca 0.37 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1o8t h VAL 74 Cb 0.14 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1o8t h VAL 74 CO -0.13 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.72 1o8t h LEU 75 N 0.00 0.63 -0.18 2.57 6.46 -0.45 0.30 115.31 124.63 1o8t h LEU 75 Ca 0.00 -0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.51 1o8t h LEU 75 Cb 0.51 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1o8t h LEU 75 CO 0.00 0.69 -0.33 0.50 -0.62 0.00 0.00 178.44 178.68 1o8t h LYS 76 N 0.63 0.55 -0.03 1.25 1.63 -1.49 -3.31 116.57 115.79 1o8t h LYS 76 Ca 0.13 -0.34 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1o8t h LYS 76 Cb 0.38 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 1o8t h LYS 76 CO 0.01 0.95 -0.01 0.78 -3.45 0.00 0.00 179.45 177.73 1o8t h GLY 77 N 0.20 0.07 0.00 5.01 0.00 -1.53 -3.46 103.07 103.37 1o8t h GLY 77 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1o8t h GLY 77 CO 0.07 0.05 0.00 -1.84 0.00 0.00 0.00 176.54 174.83 1o8t n GLU 78 N -4.86 0.00 0.00 4.80 0.28 0.49 -5.12 120.64 116.22 1o8t n GLU 78 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1o8t n GLU 78 Cb 0.21 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.08 1o8t n GLU 78 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06