#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 -2.98 -3.34 -0.78 0.00 -1.26 -4.35 117.38 104.67 1o8t n GLN 2 Ca 0.00 2.48 -0.18 0.00 -0.00 0.00 0.00 57.00 59.30 1o8t n GLN 2 Cb 0.00 -5.33 0.07 0.00 0.00 0.00 0.00 30.24 24.97 1o8t n GLN 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1o8t n GLN 3 N 0.32 -2.23 -0.05 3.69 6.02 -1.26 -4.74 117.38 119.12 1o8t n GLN 3 Ca 0.04 0.79 0.01 0.00 -0.01 0.00 0.00 57.00 57.84 1o8t n GLN 3 Cb 0.16 -5.53 0.33 0.00 1.02 0.00 0.00 30.24 26.22 1o8t n GLN 3 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1o8t h PRO 4 N -1.26 0.65 -0.14 -1.09 0.13 -1.86 0.48 132.00 128.91 1o8t h PRO 4 Ca -0.62 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.30 1o8t h PRO 4 Cb 1.32 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1o8t h PRO 4 CO 0.45 0.51 -0.43 -0.56 -0.23 0.00 0.00 178.00 177.74 1o8t h GLN 5 N 0.65 0.53 0.60 0.86 -0.00 -1.96 -3.31 115.11 112.49 1o8t h GLN 5 Ca 0.16 -0.39 -0.03 0.00 -0.00 0.00 0.00 58.65 58.39 1o8t h GLN 5 Cb 0.08 0.07 0.01 0.00 -0.00 0.00 0.00 27.48 27.63 1o8t h GLN 5 CO -0.02 1.01 -0.29 0.37 -0.00 0.00 0.00 178.83 179.90 1o8t h GLN 6 N 0.15 -0.78 -7.36 0.06 -0.00 -1.87 -3.46 115.11 101.86 1o8t h GLN 6 Ca -0.02 0.05 -0.48 0.00 -0.00 0.00 0.00 58.65 58.20 1o8t h GLN 6 Cb 1.05 0.18 0.14 0.00 0.00 0.00 0.00 27.48 28.85 1o8t h GLN 6 CO 0.09 -0.52 0.27 -0.51 0.00 0.00 0.00 178.83 178.17 1o8t s ASP 7 N -4.55 3.72 -0.84 -0.69 1.01 0.14 -4.90 116.67 110.55 1o8t s ASP 7 Ca -0.12 1.43 -0.25 0.00 0.71 0.00 0.00 52.55 54.32 1o8t s ASP 7 Cb 0.01 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 1o8t s ASP 7 CO 0.35 -2.47 1.90 -0.70 0.21 0.00 0.00 175.17 174.46 1o8t s GLU 8 N -5.00 2.62 -0.01 8.23 2.56 -1.26 -4.77 118.70 121.07 1o8t s GLU 8 Ca 0.63 -0.12 -0.21 0.00 0.00 0.00 0.00 54.97 55.27 1o8t s GLU 8 Cb -0.17 -4.91 -0.12 0.00 2.00 0.00 0.00 34.13 30.93 1o8t s GLU 8 CO 0.56 -3.17 0.87 1.98 -0.56 0.00 0.00 175.26 174.94 1o8t h MET 9 N 12.06 -0.69 0.00 4.30 4.05 -1.90 -3.46 114.93 129.28 1o8t h MET 9 Ca 0.01 0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1o8t h MET 9 Cb 1.04 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1o8t h MET 9 CO 1.22 -0.44 0.00 -0.35 0.23 0.00 0.00 176.91 177.57 1o8t n PRO 10 N -5.25 -0.07 -1.43 0.39 -0.04 -1.26 -5.05 135.00 122.29 1o8t n PRO 10 Ca -0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 1o8t n PRO 10 Cb 0.29 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.84 1o8t n PRO 10 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1o8t s SER 11 N -1.16 4.58 0.39 3.54 0.01 -1.26 -5.07 113.70 114.73 1o8t s SER 11 Ca 0.00 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.81 1o8t s SER 11 Cb 0.00 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1o8t s SER 11 CO 0.00 -1.94 0.00 -0.81 0.41 0.00 0.00 173.24 170.90 1o8t n PRO 12 N -3.44 0.22 0.00 12.44 -0.04 -1.26 -5.03 135.00 137.89 1o8t n PRO 12 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1o8t n PRO 12 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1o8t n PRO 12 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1o8t n THR 13 N -1.28 0.00 0.00 0.52 -2.24 -1.26 -4.84 114.28 105.18 1o8t n THR 13 Ca 0.00 0.50 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1o8t n THR 13 Cb 0.00 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 1o8t n THR 13 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1o8t n PHE 14 N -0.79 0.00 0.24 4.78 -0.00 -1.26 -4.10 117.46 116.33 1o8t n PHE 14 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 1o8t n PHE 14 Cb 0.00 0.00 0.55 0.00 -0.00 0.00 0.00 39.48 40.03 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 0.00 -0.66 -2.13 5.85 -2.01 -2.61 115.31 113.75 1o8t h LEU 15 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1o8t h LEU 15 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1o8t h LEU 15 CO 0.00 0.13 0.39 0.74 -0.34 0.00 0.00 178.44 179.35 1o8t h THR 16 N 0.00 1.02 0.23 1.05 2.02 -1.96 -2.72 112.91 112.55 1o8t h THR 16 Ca -0.00 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1o8t h THR 16 Cb 0.22 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1o8t h THR 16 CO 0.02 0.13 -0.11 1.56 0.37 0.00 0.00 175.52 177.49 1o8t h GLN 17 N 0.74 -0.30 -0.52 6.66 7.50 -1.82 -3.16 115.11 124.21 1o8t h GLN 17 Ca 0.28 0.02 0.16 0.00 0.50 0.00 0.00 58.65 59.61 1o8t h GLN 17 Cb 0.11 0.07 -0.10 0.00 0.05 0.00 0.00 27.48 27.61 1o8t h GLN 17 CO -0.14 -0.13 0.06 0.28 -1.50 0.00 0.00 178.83 177.40 1o8t n VAL 18 N -5.18 -0.22 -0.00 -0.54 0.31 -1.03 -0.08 118.33 111.59 1o8t n VAL 18 Ca -0.09 1.12 -0.10 0.00 -0.01 0.00 0.00 64.34 65.25 1o8t n VAL 18 Cb 0.18 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.37 0.00 5.55 6.56 -1.59 -0.23 116.57 126.50 1o8t h LYS 19 Ca 0.34 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.91 1o8t h LYS 19 Cb 0.74 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1o8t h LYS 19 CO -0.47 -0.24 -0.20 1.49 -2.06 0.00 0.00 179.45 177.96 1o8t h GLU 20 N -0.38 0.00 -0.81 3.15 4.22 -0.68 -2.27 114.58 117.81 1o8t h GLU 20 Ca 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.50 1o8t h GLU 20 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1o8t h GLU 20 CO -0.35 0.20 0.36 1.03 -2.18 0.00 0.00 179.01 178.07 1o8t h SER 21 N 0.00 1.08 -0.03 1.04 0.87 -0.75 -2.30 113.55 113.47 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 0.37 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1o8t h SER 21 CO 0.03 0.94 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.67 1o8t h LEU 22 N 1.16 0.66 0.55 2.23 3.38 -0.60 -2.60 115.31 120.09 1o8t h LEU 22 Ca 0.27 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1o8t h LEU 22 Cb 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1o8t h LEU 22 CO -0.03 1.06 -0.30 0.28 0.09 0.00 0.00 178.44 179.54 1o8t h SER 23 N 0.47 -0.75 0.36 -0.43 0.02 -1.10 0.71 113.55 112.83 1o8t h SER 23 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1o8t h SER 23 Cb 1.07 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1o8t h SER 23 CO 0.10 -0.49 0.00 0.28 -1.14 0.00 0.00 176.83 175.58 1o8t h SER 24 N -0.79 0.00 0.11 3.07 0.02 -1.48 -2.41 113.55 112.07 1o8t h SER 24 Ca -0.07 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.71 1o8t h SER 24 Cb 0.63 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.19 1o8t h SER 24 CO 0.09 0.00 -0.79 0.22 -1.14 0.00 0.00 176.83 175.21 1o8t h TYR 25 N 0.00 0.43 -0.32 3.45 3.20 -0.93 -3.33 116.97 119.47 1o8t h TYR 25 Ca 0.00 -0.31 -0.05 0.00 3.14 0.00 0.00 58.73 61.51 1o8t h TYR 25 Cb 0.18 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1o8t h TYR 25 CO 0.00 1.31 -0.01 2.35 -1.64 0.00 0.00 178.16 180.16 1o8t h TRP 26 N -0.48 0.51 -0.92 -3.82 2.91 -0.50 -0.39 115.95 113.25 1o8t h TRP 26 Ca -0.15 -0.05 0.11 0.00 1.13 0.00 0.00 58.89 59.93 1o8t h TRP 26 Cb 1.55 -0.15 -0.13 0.00 -0.51 0.00 0.00 29.16 29.92 1o8t h TRP 26 CO 0.20 0.51 -0.49 0.93 -1.03 0.00 0.00 178.44 178.56 1o8t h GLU 27 N 0.47 -0.04 0.00 2.65 5.08 -1.55 0.53 114.58 121.72 1o8t h GLU 27 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1o8t h GLU 27 Cb 0.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1o8t h GLU 27 CO 0.01 -0.03 -0.71 0.43 -1.00 0.00 0.00 179.01 177.71 1o8t n SER 28 N -5.36 0.70 0.26 1.42 7.64 -1.18 -4.20 113.62 112.90 1o8t n SER 28 Ca 0.05 -0.55 0.09 0.00 1.01 0.00 0.00 58.87 59.47 1o8t n SER 28 Cb 0.33 0.56 0.68 0.00 -1.01 0.00 0.00 64.21 64.76 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 2.99 1.85 -0.31 -0.43 0.00 0.89 -2.93 119.26 121.33 1o8t h ALA 29 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1o8t h ALA 29 Cb 0.50 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1o8t h ALA 29 CO 0.00 0.04 -0.10 1.57 0.00 0.00 0.00 179.25 180.76 1o8t h LYS 30 N 0.00 -0.03 -1.06 0.00 5.09 -1.67 -0.47 116.57 118.44 1o8t h LYS 30 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 60.65 61.02 1o8t h LYS 30 Cb 0.05 0.01 -0.09 0.00 0.10 0.00 0.00 32.23 32.30 1o8t h LYS 30 CO 0.00 -0.02 0.68 1.79 -2.09 0.00 0.00 179.45 179.82 1o8t h THR 31 N -0.03 0.50 -0.77 0.07 1.35 -1.82 0.49 112.91 112.70 1o8t h THR 31 Ca 0.15 -0.12 -0.03 0.00 -0.55 0.00 0.00 66.41 65.86 1o8t h THR 31 Cb 0.26 0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 66.75 1o8t h THR 31 CO -0.34 0.07 0.35 0.00 -0.25 0.00 0.00 175.52 175.35 1o8t h ALA 32 N 1.62 1.17 -0.06 6.62 0.00 -1.21 -1.11 119.26 126.28 1o8t h ALA 32 Ca 0.61 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.37 1o8t h ALA 32 Cb 1.59 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1o8t h ALA 32 CO -0.30 0.62 -0.37 0.00 0.00 0.00 0.00 179.25 179.20 1o8t h ALA 33 N 1.28 -0.77 -0.22 0.00 0.00 0.15 0.56 119.26 120.26 1o8t h ALA 33 Ca 0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1o8t h ALA 33 Cb 0.14 0.86 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1o8t h ALA 33 CO -0.03 -0.90 -0.10 -0.56 0.00 0.00 0.00 179.25 177.66 1o8t h GLN 34 N -0.42 0.35 -0.13 0.00 -0.00 -1.56 -1.87 115.11 111.47 1o8t h GLN 34 Ca 0.02 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 1o8t h GLN 34 Cb 0.48 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.90 1o8t h GLN 34 CO -0.28 0.47 -0.01 -0.97 -0.00 0.00 0.00 178.83 178.03 1o8t h ASN 35 N 0.34 0.17 -0.43 0.06 -1.24 -0.10 -1.17 115.58 113.21 1o8t h ASN 35 Ca 0.07 -0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.11 1o8t h ASN 35 Cb 0.39 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.35 1o8t h ASN 35 CO 0.02 0.22 0.15 0.25 -1.29 0.00 0.00 177.43 176.78 1o8t h LEU 36 N 0.19 0.16 -0.87 0.34 5.85 0.95 0.34 115.31 122.27 1o8t h LEU 36 Ca 0.05 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1o8t h LEU 36 Cb 0.15 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1o8t h LEU 36 CO 0.00 0.12 0.25 1.88 -0.34 0.00 0.00 178.44 180.36 1o8t h TYR 37 N 0.32 1.11 0.60 1.25 -1.99 -1.32 -2.82 116.97 114.12 1o8t h TYR 37 Ca 0.20 -0.09 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 1o8t h TYR 37 Cb 0.19 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1o8t h TYR 37 CO -0.15 0.86 -0.42 1.49 -0.00 0.00 0.00 178.16 179.94 1o8t h GLU 38 N 1.05 -0.94 0.00 4.88 4.22 0.27 -2.27 114.58 121.79 1o8t h GLU 38 Ca 0.24 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1o8t h GLU 38 Cb 0.25 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1o8t h GLU 38 CO -0.01 -0.63 0.00 1.63 -2.18 0.00 0.00 179.01 177.82 1o8t n LYS 39 N -5.54 0.08 -0.03 1.92 5.02 0.96 -2.08 118.16 118.50 1o8t n LYS 39 Ca -0.13 0.58 -0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1o8t n LYS 39 Cb 0.43 -1.78 -0.08 0.00 -0.02 0.00 0.00 35.03 33.58 1o8t n LYS 39 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1o8t h THR 40 N 0.00 1.32 -0.57 -0.18 2.02 -1.14 -3.20 112.91 111.16 1o8t h THR 40 Ca 0.00 -1.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 1o8t h THR 40 Cb 0.00 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1o8t h THR 40 CO 0.00 0.30 0.04 1.88 0.37 0.00 0.00 175.52 178.10 1o8t h TYR 41 N -0.20 1.05 -4.01 3.16 0.05 -1.47 -3.44 116.97 112.12 1o8t h TYR 41 Ca 0.02 -0.17 -0.49 0.00 0.05 0.00 0.00 58.73 58.14 1o8t h TYR 41 Cb 0.49 -0.28 0.03 0.00 1.01 0.00 0.00 36.73 37.99 1o8t h TYR 41 CO 0.07 0.94 0.42 -0.51 -1.05 0.00 0.00 178.16 178.03 1o8t s LEU 42 N -9.41 4.01 -0.23 3.88 1.02 -1.18 -4.96 118.68 111.81 1o8t s LEU 42 Ca -0.12 2.08 0.03 0.00 0.02 0.00 0.00 54.13 56.14 1o8t s LEU 42 Cb 0.13 -4.32 0.40 0.00 0.02 0.00 0.00 46.19 42.41 1o8t s LEU 42 CO 0.84 -0.71 1.47 -0.81 0.02 0.00 0.00 176.35 177.16 1o8t n PRO 43 N -0.47 1.98 0.20 1.29 -0.04 -1.26 -4.45 135.00 132.25 1o8t n PRO 43 Ca 0.07 -1.73 0.15 0.00 -0.04 0.00 0.00 63.50 61.95 1o8t n PRO 43 Cb 0.50 -1.72 0.67 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.73 1.00 -0.52 0.55 0.00 -1.93 -3.27 119.26 116.83 1o8t h ALA 44 Ca 0.30 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1o8t h ALA 44 Cb 1.94 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.63 1o8t h ALA 44 CO 0.57 0.00 -0.37 0.28 0.00 0.00 0.00 179.25 179.73 1o8t h VAL 45 N 0.00 0.16 -0.14 0.00 2.07 -1.87 0.75 116.25 117.21 1o8t h VAL 45 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1o8t h VAL 45 Cb 0.24 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1o8t h VAL 45 CO 0.00 0.00 -0.16 0.44 0.02 0.00 0.00 177.57 177.87 1o8t h ASP 46 N -0.22 0.21 -0.34 0.57 3.32 -1.96 -2.87 116.42 115.12 1o8t h ASP 46 Ca 0.19 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1o8t h ASP 46 Cb 0.56 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1o8t h ASP 46 CO -0.64 0.39 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.10 1o8t h GLU 47 N 0.21 0.67 0.00 3.56 4.22 -1.17 -2.85 114.58 119.21 1o8t h GLU 47 Ca 0.04 -0.26 -0.00 0.00 0.08 0.00 0.00 59.36 59.21 1o8t h GLU 47 Cb 0.42 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1o8t h GLU 47 CO 0.03 0.84 -0.01 0.87 -2.18 0.00 0.00 179.01 178.56 1o8t h LYS 48 N 0.46 0.00 0.38 1.92 1.57 -0.73 0.25 116.57 120.42 1o8t h LYS 48 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1o8t h LYS 48 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1o8t h LYS 48 CO 0.04 0.01 -0.18 1.25 -0.57 0.00 0.00 179.45 180.00 1o8t h LEU 49 N 0.00 -0.43 -1.53 2.94 6.46 -1.40 -0.53 115.31 120.83 1o8t h LEU 49 Ca -0.00 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1o8t h LEU 49 Cb 0.03 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1o8t h LEU 49 CO 0.00 -0.27 -0.06 0.03 -0.62 0.00 0.00 178.44 177.52 1o8t h ARG 50 N -0.59 0.23 0.59 1.25 2.47 -1.55 -2.37 114.38 114.41 1o8t h ARG 50 Ca -0.05 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1o8t h ARG 50 Cb 0.39 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1o8t h ARG 50 CO 0.09 0.31 -0.48 0.22 0.56 0.00 0.00 179.97 180.66 1o8t h ASP 51 N 0.22 -1.28 0.04 7.04 3.58 -0.44 -0.02 116.42 125.56 1o8t h ASP 51 Ca 0.05 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1o8t h ASP 51 Cb 0.26 0.41 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 1o8t h ASP 51 CO 0.01 -0.67 -0.03 -0.07 -2.88 0.00 0.00 179.24 175.60 1o8t h LEU 52 N -1.04 0.00 0.05 2.28 3.38 -0.97 -2.05 115.31 116.95 1o8t h LEU 52 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1o8t h LEU 52 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1o8t h LEU 52 CO -0.00 0.03 -0.02 1.88 0.09 0.00 0.00 178.44 180.41 1o8t h TYR 53 N 0.00 -0.06 -0.34 1.13 -1.99 -0.86 -0.43 116.97 114.42 1o8t h TYR 53 Ca -0.00 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1o8t h TYR 53 Cb 0.05 0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.78 1o8t h TYR 53 CO 0.00 0.31 0.20 1.03 -0.00 0.00 0.00 178.16 179.70 1o8t h SER 54 N -0.44 0.41 -0.12 3.88 0.87 -0.64 -2.21 113.55 115.31 1o8t h SER 54 Ca -0.01 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1o8t h SER 54 Cb 0.40 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1o8t h SER 54 CO 0.01 0.36 0.06 0.11 -0.53 0.00 0.00 176.83 176.84 1o8t h LYS 55 N 0.44 0.16 0.00 2.24 1.57 -1.41 -2.55 116.57 117.02 1o8t h LYS 55 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1o8t h LYS 55 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1o8t h LYS 55 CO -0.02 0.20 0.00 0.77 -0.57 0.00 0.00 179.45 179.83 1o8t h SER 56 N 0.09 0.00 0.68 0.86 0.02 -0.94 -1.67 113.55 112.58 1o8t h SER 56 Ca 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1o8t h SER 56 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1o8t h SER 56 CO -0.01 0.00 -0.41 0.74 -1.14 0.00 0.00 176.83 176.01 1o8t h THR 57 N 0.00 0.16 0.11 -2.27 2.02 -0.95 -1.56 112.91 110.43 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 0.13 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1o8t h THR 57 CO 0.00 0.00 -1.65 0.00 0.37 0.00 0.00 175.52 174.24 1o8t h ALA 58 N -0.79 0.28 0.59 6.16 0.00 -1.69 -3.26 119.26 120.55 1o8t h ALA 58 Ca -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 54.91 53.57 1o8t h ALA 58 Cb 0.83 0.60 0.01 0.00 0.00 0.00 0.00 17.79 19.22 1o8t h ALA 58 CO 0.09 1.01 -0.28 0.00 0.00 0.00 0.00 179.25 180.07 1o8t h ALA 59 N -0.05 -1.09 0.00 0.00 0.00 -1.42 -3.05 119.26 113.65 1o8t h ALA 59 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1o8t h ALA 59 Cb 1.84 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1o8t h ALA 59 CO 0.05 -1.03 0.00 1.98 0.00 0.00 0.00 179.25 180.25 1o8t h MET 60 N -0.87 0.00 0.00 0.00 4.05 -1.44 -2.27 114.93 114.40 1o8t h MET 60 Ca -0.08 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1o8t h MET 60 Cb 0.61 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1o8t h MET 60 CO 0.13 0.00 0.00 0.77 0.23 0.00 0.00 176.91 178.04 1o8t h SER 61 N 0.00 0.00 0.00 1.39 0.02 -1.48 -0.35 113.55 113.14 1o8t h SER 61 Ca 0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1o8t h SER 61 Cb 0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1o8t h SER 61 CO 0.00 0.00 -2.41 0.35 -1.14 0.00 0.00 176.83 173.63 1o8t n THR 62 N -2.55 1.43 0.31 -2.27 -2.24 -0.86 -4.32 114.28 103.78 1o8t n THR 62 Ca 0.00 -0.35 0.20 0.00 -2.27 0.00 0.00 64.05 61.64 1o8t n THR 62 Cb 0.19 -1.87 0.94 0.00 -2.10 0.00 0.00 70.33 67.50 1o8t n THR 62 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1o8t h TYR 63 N -0.93 0.00 0.51 4.78 3.20 -1.57 -0.69 116.97 122.26 1o8t h TYR 63 Ca -0.64 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.20 1o8t h TYR 63 Cb 1.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1o8t h TYR 63 CO -0.09 0.00 -0.24 1.15 -1.64 0.00 0.00 178.16 177.33 1o8t h THR 64 N 0.00 0.00 -0.73 1.81 2.02 -1.27 0.56 112.91 115.30 1o8t h THR 64 Ca 0.00 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.70 1o8t h THR 64 Cb 0.27 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1o8t h THR 64 CO 0.00 0.00 0.31 1.23 0.37 0.00 0.00 175.52 177.43 1o8t h GLY 65 N -1.13 1.14 0.83 2.16 0.00 -1.73 -1.09 103.07 103.25 1o8t h GLY 65 Ca -0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 1o8t h GLY 65 CO 0.11 0.55 -0.38 -2.22 0.00 0.00 0.00 176.54 174.60 1o8t h ILE 66 N 1.04 0.05 -0.24 2.60 5.03 -1.17 0.64 117.51 125.47 1o8t h ILE 66 Ca 0.25 -0.20 0.06 0.00 -0.12 0.00 0.00 64.86 64.85 1o8t h ILE 66 Cb 0.16 0.07 -0.07 0.00 -3.03 0.00 0.00 36.82 33.95 1o8t h ILE 66 CO -0.03 0.01 -0.30 0.15 -0.68 0.00 0.00 178.15 177.30 1o8t h PHE 67 N -1.25 -0.83 0.00 1.37 3.57 0.19 0.64 116.94 120.63 1o8t h PHE 67 Ca -0.11 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1o8t h PHE 67 Cb 0.82 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1o8t h PHE 67 CO -0.00 -0.37 -0.04 1.15 -2.23 0.00 0.00 178.31 176.81 1o8t h THR 68 N -0.32 0.20 0.39 4.41 2.02 -1.24 -2.92 112.91 115.45 1o8t h THR 68 Ca 0.13 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1o8t h THR 68 Cb 0.52 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1o8t h THR 68 CO -0.42 0.04 -0.31 -0.78 0.37 0.00 0.00 175.52 174.42 1o8t h ASP 69 N 0.00 -0.83 0.71 4.18 1.82 0.16 0.17 116.42 122.62 1o8t h ASP 69 Ca -0.00 0.06 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1o8t h ASP 69 Cb 0.26 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1o8t h ASP 69 CO 0.01 -0.46 -0.28 1.56 -1.61 0.00 0.00 179.24 178.45 1o8t h GLN 70 N -0.71 0.00 0.28 0.28 7.50 -1.45 -1.91 115.11 119.10 1o8t h GLN 70 Ca -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 1o8t h GLN 70 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.15 1o8t h GLN 70 CO -0.02 0.28 -0.13 0.28 -1.50 0.00 0.00 178.83 177.74 1o8t h VAL 71 N 0.00 0.72 -0.70 -0.54 2.07 -1.26 -2.24 116.25 114.30 1o8t h VAL 71 Ca -0.00 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 66.92 1o8t h VAL 71 Cb 0.70 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1o8t h VAL 71 CO 0.04 0.13 0.46 -0.07 0.02 0.00 0.00 177.57 178.15 1o8t h LEU 72 N -0.76 0.59 -1.07 2.57 4.07 -0.64 -0.07 115.31 120.01 1o8t h LEU 72 Ca -0.04 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.98 1o8t h LEU 72 Cb 0.50 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.06 1o8t h LEU 72 CO 0.06 0.37 0.63 -1.28 -1.08 0.00 0.00 178.44 177.14 1o8t h SER 73 N 0.67 1.01 1.01 -0.43 0.87 -1.13 0.10 113.55 115.64 1o8t h SER 73 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1o8t h SER 73 Cb 0.35 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1o8t h SER 73 CO -0.10 0.66 0.00 0.58 -0.53 0.00 0.00 176.83 177.44 1o8t h VAL 74 N 1.15 0.00 -0.50 2.23 2.07 -0.40 -2.89 116.25 117.92 1o8t h VAL 74 Ca 0.40 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1o8t h VAL 74 Cb 0.11 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1o8t h VAL 74 CO -0.14 0.00 0.06 0.25 0.02 0.00 0.00 177.57 177.75 1o8t h LEU 75 N 0.00 0.75 -0.19 2.57 5.85 -0.47 -1.06 115.31 122.75 1o8t h LEU 75 Ca 0.00 -0.16 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1o8t h LEU 75 Cb 0.50 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1o8t h LEU 75 CO 0.00 0.78 -0.34 0.50 -0.34 0.00 0.00 178.44 179.03 1o8t h LYS 76 N 0.75 0.58 -0.77 1.25 3.64 -1.50 -1.40 116.57 119.11 1o8t h LYS 76 Ca 0.16 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1o8t h LYS 76 Cb 0.37 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1o8t h LYS 76 CO 0.01 0.97 0.40 0.78 -2.27 0.00 0.00 179.45 179.34 1o8t h GLY 77 N 0.24 1.17 0.53 5.01 0.00 -1.52 -3.09 103.07 105.41 1o8t h GLY 77 Ca 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1o8t h GLY 77 CO 0.08 0.53 -0.01 0.83 0.00 0.00 0.00 176.54 177.97 1o8t h GLU 78 N 1.08 -0.01 0.00 4.80 5.08 -1.21 -3.52 114.58 120.80 1o8t h GLU 78 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1o8t h GLU 78 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1o8t h GLU 78 CO -0.04 0.45 0.00 -1.91 -1.00 0.00 0.00 179.01 176.51