#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6s n GLU 2 N 0.00 0.00 -0.21 1.61 2.13 -1.26 -4.32 120.64 118.59 1a6s n GLU 2 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1a6s n GLU 2 Cb 0.00 -0.18 0.03 0.00 0.27 0.00 0.00 31.44 31.56 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a6s h ALA 3 N 0.00 0.75 -0.89 4.31 0.00 -1.99 2.90 119.26 124.34 1a6s h ALA 3 Ca 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1a6s h ALA 3 Cb 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 17.79 17.39 1a6s h ALA 3 CO 0.00 0.27 -0.22 -0.39 0.00 0.00 0.00 179.25 178.91 1a6s h VAL 4 N 0.79 0.11 0.12 0.00 -1.51 -1.84 2.35 116.25 116.28 1a6s h VAL 4 Ca 0.21 0.00 -0.34 0.00 -1.23 0.00 0.00 66.70 65.33 1a6s h VAL 4 Cb 0.04 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.30 1a6s h VAL 4 CO -0.03 0.00 -1.86 0.40 -1.23 0.00 0.00 177.57 174.85 1a6s h ILE 5 N -0.00 0.71 -1.00 7.19 5.03 -1.60 -3.22 117.51 124.62 1a6s h ILE 5 Ca 0.43 -2.34 0.20 0.00 -0.12 0.00 0.00 64.86 63.02 1a6s h ILE 5 Cb 0.65 2.51 -0.10 0.00 -3.03 0.00 0.00 36.82 36.84 1a6s h ILE 5 CO -0.92 0.82 0.61 0.11 -0.68 0.00 0.00 178.15 178.10 1a6s h LYS 6 N -0.07 0.70 0.52 2.37 1.57 0.64 1.41 116.57 123.70 1a6s h LYS 6 Ca -0.40 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1a6s h LYS 6 Cb 1.94 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 34.10 1a6s h LYS 6 CO 0.06 0.46 -0.25 -0.24 -0.57 0.00 0.00 179.45 178.91 1a6s h VAL 7 N 0.72 0.00 -0.79 0.50 3.04 0.38 1.68 116.25 121.78 1a6s h VAL 7 Ca 0.58 -0.27 0.16 0.00 -1.01 0.00 0.00 66.70 66.15 1a6s h VAL 7 Cb 0.96 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 30.13 1a6s h VAL 7 CO -0.37 0.00 0.31 0.40 -1.01 0.00 0.00 177.57 176.90 1a6s h ILE 8 N -0.97 0.61 0.22 3.17 1.08 -1.37 6.15 117.51 126.40 1a6s h ILE 8 Ca -0.07 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1a6s h ILE 8 Cb 0.53 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 1a6s h ILE 8 CO 0.12 0.08 -0.11 -1.28 -0.69 0.00 0.00 178.15 176.27 1a6s h SER 9 N 0.43 -0.25 -0.29 1.72 0.87 0.19 0.88 113.55 117.10 1a6s h SER 9 Ca 0.45 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 61.05 1a6s h SER 9 Cb 0.72 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 1a6s h SER 9 CO -0.44 -0.09 0.09 -1.28 -0.53 0.00 0.00 176.83 174.58 1a6s h SER 10 N -0.48 0.08 0.35 6.23 0.87 0.28 -2.62 113.55 118.26 1a6s h SER 10 Ca -0.03 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1a6s h SER 10 Cb 0.23 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1a6s h SER 10 CO 0.05 0.08 -0.39 0.00 -0.53 0.00 0.00 176.83 176.04 1a6s h ALA 11 N 1.19 -1.04 -0.68 6.23 0.00 1.26 17.93 119.26 144.16 1a6s h ALA 11 Ca 0.13 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.07 1a6s h ALA 11 Cb 0.11 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 18.42 1a6s h ALA 11 CO -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 179.25 177.99 1a6s n LYS 13 N -4.97 0.07 -0.32 0.00 4.81 -0.59 0.63 118.16 117.79 1a6s n LYS 13 Ca 0.14 0.10 0.35 0.00 -0.87 0.00 0.00 58.31 58.04 1a6s n LYS 13 Cb 0.46 -0.71 0.66 0.00 0.02 0.00 0.00 35.03 35.46 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1a6s h THR 14 N -0.15 0.15 0.00 3.15 2.02 4.16 14.47 112.91 136.71 1a6s h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1a6s h THR 14 Cb 0.13 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1a6s h THR 14 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1a6s n TYR 15 N -3.70 0.00 -0.05 3.16 4.19 1.54 -4.61 117.16 117.69 1a6s n TYR 15 Ca 0.27 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.42 1a6s n TYR 15 Cb 1.46 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 41.23 1a6s n TYR 15 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1a6s n GLY 17 N 2.66 -0.53 0.26 0.00 0.00 0.21 -3.64 105.19 104.15 1a6s n GLY 17 Ca -0.16 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1a6s n GLY 17 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a6s n LYS 18 N -1.20 0.02 -0.03 1.61 2.85 4.49 -1.09 118.16 124.81 1a6s n LYS 18 Ca 0.06 0.64 0.00 0.00 -1.05 0.00 0.00 58.31 57.95 1a6s n LYS 18 Cb 0.07 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1a6s n THR 19 N -2.07 0.21 -0.05 0.58 -1.04 -1.24 -4.45 114.28 106.22 1a6s n THR 19 Ca 0.05 -0.03 0.01 0.00 -2.04 0.00 0.00 64.05 62.05 1a6s n THR 19 Cb 0.78 -0.77 0.02 0.00 -1.82 0.00 0.00 70.33 68.54 1a6s n THR 19 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1a6s n SER 20 N 1.30 -0.04 -0.95 8.00 3.41 -0.25 0.63 113.62 125.73 1a6s n SER 20 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1a6s n SER 20 Cb 0.08 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1a6s n SER 20 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6s n PRO 21 N -4.13 0.75 -0.02 4.33 -0.04 -1.26 -2.39 135.00 132.24 1a6s n PRO 21 Ca 0.02 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1a6s n PRO 21 Cb 0.07 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1a6s n PRO 21 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6s n SER 22 N 0.58 3.74 0.00 3.54 2.88 2.79 -5.13 113.62 122.02 1a6s n SER 22 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1a6s n SER 22 Cb 0.36 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 1a6s n SER 22 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1a6s n LYS 23 N -2.03 0.00 -0.97 -1.46 0.00 -1.00 -4.91 118.16 107.78 1a6s n LYS 23 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.25 1a6s n LYS 23 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1a6s n LYS 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1a6s n LYS 24 N -1.23 0.00 0.00 1.64 5.02 -1.26 -4.97 118.16 117.36 1a6s n LYS 24 Ca 0.00 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1a6s n LYS 24 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.69 1a6s n LYS 24 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1a6s n GLU 25 N -2.97 0.00 -0.21 1.97 4.71 -1.26 -2.60 120.64 120.28 1a6s n GLU 25 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1a6s n GLU 25 Cb 0.00 -0.43 0.12 0.00 -1.01 0.00 0.00 31.44 30.12 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1a6s h ILE 26 N 0.00 0.70 -0.68 -3.67 1.08 -1.93 -0.51 117.51 112.50 1a6s h ILE 26 Ca 0.00 -0.13 0.15 0.00 -0.39 0.00 0.00 64.86 64.49 1a6s h ILE 26 Cb 0.00 0.30 -0.11 0.00 -3.07 0.00 0.00 36.82 33.95 1a6s h ILE 26 CO 0.00 0.07 0.08 1.23 -0.69 0.00 0.00 178.15 178.84 1a6s h GLY 27 N 0.36 0.83 0.48 5.37 0.00 -1.98 -0.75 103.07 107.39 1a6s h GLY 27 Ca 0.33 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.72 1a6s h GLY 27 CO -0.36 -0.21 -0.27 0.00 0.00 0.00 0.00 176.54 175.71 1a6s h ALA 28 N 1.59 -0.43 -0.81 3.60 0.00 -0.84 1.01 119.26 123.39 1a6s h ALA 28 Ca 0.37 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.54 1a6s h ALA 28 Cb 0.62 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.71 1a6s h ALA 28 CO -0.53 -0.79 0.25 -0.12 0.00 0.00 0.00 179.25 178.05 1a6s n MET 29 N -5.38 -0.06 0.00 0.00 0.00 -0.30 0.60 117.12 111.98 1a6s n MET 29 Ca -0.06 1.16 0.00 0.00 0.00 0.00 0.00 57.70 58.81 1a6s n MET 29 Cb 0.29 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.54 1a6s n MET 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1a6s n LEU 30 N -4.98 0.14 -0.29 -0.89 4.77 -0.59 -2.86 117.00 112.29 1a6s n LEU 30 Ca 0.26 0.18 0.24 0.00 -0.03 0.00 0.00 56.01 56.66 1a6s n LEU 30 Cb 0.86 -0.44 0.57 0.00 -2.33 0.00 0.00 43.42 42.07 1a6s n LEU 30 CO -0.02 -0.44 1.24 -1.28 -1.33 0.00 0.00 177.39 175.56 1a6s h SER 31 N 0.00 0.32 0.12 -1.43 0.87 0.13 9.97 113.55 123.53 1a6s h SER 31 Ca 0.00 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1a6s h SER 31 Cb 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1a6s h SER 31 CO 0.00 0.08 -0.06 0.25 -0.53 0.00 0.00 176.83 176.58 1a6s h LEU 32 N 0.30 -0.13 -0.01 2.23 7.12 1.67 -1.36 115.31 125.13 1a6s h LEU 32 Ca 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.55 1a6s h LEU 32 Cb 1.57 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1a6s h LEU 32 CO -0.20 -0.04 -0.02 -0.07 -0.13 0.00 0.00 178.44 177.98 1a6s h LEU 33 N -0.26 0.04 0.00 2.25 -0.00 -0.96 -0.38 115.31 116.01 1a6s h LEU 33 Ca -0.02 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.31 1a6s h LEU 33 Cb 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1a6s h LEU 33 CO 0.03 0.59 0.00 1.67 -0.00 0.00 0.00 178.44 180.73 1a6s n GLN 34 N -4.79 0.28 -1.06 1.13 -0.06 3.15 0.59 117.38 116.62 1a6s n GLN 34 Ca -0.08 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 54.95 1a6s n GLN 34 Cb 0.30 -1.45 0.04 0.00 -4.06 0.00 0.00 30.24 25.06 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1a6s n LYS 35 N -0.95 0.19 0.00 3.69 3.00 -0.51 -4.41 118.16 119.17 1a6s n LYS 35 Ca 0.06 -1.84 0.00 0.00 -0.00 0.00 0.00 58.31 56.53 1a6s n LYS 35 Cb 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 35.03 34.70 1a6s n LYS 35 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1a6s n GLU 36 N 0.12 0.00 0.00 1.64 -0.58 -0.02 -4.51 120.64 117.30 1a6s n GLU 36 Ca 0.06 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 1a6s n GLU 36 Cb 0.95 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a6s n GLY 37 N 0.00 1.66 2.06 0.62 0.00 -1.06 -4.44 105.19 104.03 1a6s n GLY 37 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1a6s n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a6s n LEU 38 N 0.00 4.29 -0.69 0.99 7.99 0.20 -4.62 117.00 125.15 1a6s n LEU 38 Ca 0.00 -4.43 0.07 0.00 -0.01 0.00 0.00 56.01 51.64 1a6s n LEU 38 Cb 0.00 -0.23 0.13 0.00 -0.11 0.00 0.00 43.42 43.21 1a6s n LEU 38 CO 0.00 1.90 0.57 -0.11 -1.51 0.00 0.00 177.39 178.24 1a6s n LEU 39 N -0.70 2.68 -1.19 2.23 0.00 -1.26 -3.77 117.00 114.99 1a6s n LEU 39 Ca 0.37 -1.50 0.10 0.00 0.00 0.00 0.00 56.01 54.98 1a6s n LEU 39 Cb 0.93 -0.15 0.28 0.00 0.00 0.00 0.00 43.42 44.49 1a6s n LEU 39 CO 0.32 0.60 0.74 0.80 0.00 0.00 0.00 177.39 179.85 1a6s n MET 40 N 0.80 2.96 0.00 1.96 1.56 -1.26 -4.96 117.12 118.18 1a6s n MET 40 Ca 0.12 -2.55 0.00 0.00 -0.27 0.00 0.00 57.70 54.99 1a6s n MET 40 Cb 0.42 -1.56 0.00 0.00 2.15 0.00 0.00 33.22 34.23 1a6s n MET 40 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1a6s n SER 41 N 1.18 0.00 0.00 6.12 2.88 -1.26 -4.96 113.62 117.58 1a6s n SER 41 Ca 0.21 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.87 1a6s n SER 41 Cb 0.63 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.74 1a6s n SER 41 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6s n PRO 42 N 0.00 0.58 0.13 -1.46 -0.04 -1.26 -2.88 135.00 130.06 1a6s n PRO 42 Ca 0.00 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1a6s n PRO 42 Cb 0.00 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.46 1a6s n PRO 42 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6s n SER 43 N -1.11 0.60 -0.52 3.54 2.88 -1.26 -3.06 113.62 114.68 1a6s n SER 43 Ca 0.15 0.68 0.42 0.00 -1.33 0.00 0.00 58.87 58.79 1a6s n SER 43 Cb 0.12 -0.80 0.64 0.00 -0.75 0.00 0.00 64.21 63.42 1a6s n SER 43 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1a6s n ASP 44 N -2.20 0.00 0.07 -3.46 4.64 -1.14 0.51 116.55 114.97 1a6s n ASP 44 Ca 0.01 0.82 0.04 0.00 -1.38 0.00 0.00 54.79 54.28 1a6s n ASP 44 Cb 0.17 -0.38 0.46 0.00 -1.04 0.00 0.00 41.12 40.32 1a6s n ASP 44 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1a6s h LEU 45 N 0.00 0.34 -0.43 -2.67 6.46 -1.78 -0.29 115.31 116.94 1a6s h LEU 45 Ca 0.73 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.47 1a6s h LEU 45 Cb 3.13 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 42.97 1a6s h LEU 45 CO -0.01 0.29 0.13 -1.22 -0.62 0.00 0.00 178.44 177.02 1a6s n TYR 46 N -4.45 0.22 -4.50 1.25 4.01 1.92 -4.45 117.16 111.16 1a6s n TYR 46 Ca 0.01 0.11 -0.29 0.00 -0.16 0.00 0.00 57.90 57.57 1a6s n TYR 46 Cb 0.11 -0.57 -0.13 0.00 -0.31 0.00 0.00 39.34 38.44 1a6s n TYR 46 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1a6s s SER 47 N -3.12 3.38 -0.33 7.72 0.15 -0.12 -5.09 113.70 116.29 1a6s s SER 47 Ca -0.01 -0.68 -0.29 0.00 0.70 0.00 0.00 55.95 55.68 1a6s s SER 47 Cb 0.02 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1a6s s SER 47 CO 0.06 0.20 1.37 -2.16 1.20 0.00 0.00 173.24 173.90 1a6s s PRO 48 N -1.87 3.79 0.00 5.44 0.04 -1.26 -4.13 135.00 137.02 1a6s s PRO 48 Ca 0.14 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1a6s s PRO 48 Cb -0.10 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1a6s s PRO 48 CO 0.06 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1a6s n GLY 49 N 4.60 0.62 0.00 0.56 0.00 -1.26 -5.05 105.19 104.66 1a6s n GLY 49 Ca 0.16 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.46 1a6s n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a6s n SER 50 N 0.00 1.58 0.02 1.61 7.64 -1.26 -4.20 113.62 119.01 1a6s n SER 50 Ca 0.00 -0.32 0.11 0.00 1.01 0.00 0.00 58.87 59.67 1a6s n SER 50 Cb 0.00 1.32 -0.08 0.00 -1.01 0.00 0.00 64.21 64.44 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a6s n TRP 51 N -1.64 0.21 0.08 1.43 7.02 -1.26 -3.80 117.44 119.48 1a6s n TRP 51 Ca -0.00 0.06 -0.04 0.00 -1.02 0.00 0.00 57.50 56.50 1a6s n TRP 51 Cb 0.25 -0.46 -0.07 0.00 -2.42 0.00 0.00 31.31 28.62 1a6s n TRP 51 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 1a6s h ASP 52 N 0.00 0.00 0.35 -0.99 -0.00 -1.99 -2.94 116.42 110.85 1a6s h ASP 52 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.83 1a6s h ASP 52 Cb 0.83 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.16 1a6s h ASP 52 CO 0.00 0.82 -0.85 1.55 -0.00 0.00 0.00 179.24 180.77 1a6s h PRO 53 N 0.00 0.37 0.00 0.28 0.13 -1.73 -2.99 132.00 128.05 1a6s h PRO 53 Ca -0.02 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1a6s h PRO 53 Cb 1.64 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.86 1a6s h PRO 53 CO 0.11 1.03 -0.19 0.97 -0.23 0.00 0.00 178.00 179.68 1a6s h ILE 54 N 0.23 0.42 0.71 -3.56 2.10 -1.65 -1.06 117.51 114.69 1a6s h ILE 54 Ca -0.05 -1.14 -0.03 0.00 1.08 0.00 0.00 64.86 64.71 1a6s h ILE 54 Cb 1.46 1.84 0.01 0.00 -1.09 0.00 0.00 36.82 39.04 1a6s h ILE 54 CO 0.14 0.19 -0.34 0.74 -1.08 0.00 0.00 178.15 177.80 1a6s h THR 55 N 0.00 0.00 0.00 2.19 2.02 -1.37 -2.89 112.91 112.86 1a6s h THR 55 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1a6s h THR 55 Cb 0.83 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1a6s h THR 55 CO 0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.91 1a6s n ALA 56 N -2.66 1.90 -0.92 6.16 0.00 -1.19 -2.78 120.51 121.03 1a6s n ALA 56 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1a6s n ALA 56 Cb 0.38 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1a6s n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6s n ALA 57 N -1.60 -0.04 -0.31 0.00 0.00 -0.40 -0.29 120.51 117.87 1a6s n ALA 57 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1a6s n ALA 57 Cb 0.26 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.93 1a6s n ALA 57 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1a6s h LEU 58 N 0.00 0.61 -1.35 0.00 -0.00 -1.63 0.32 115.31 113.26 1a6s h LEU 58 Ca 0.00 0.08 0.17 0.00 -0.00 0.00 0.00 57.88 58.13 1a6s h LEU 58 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 40.56 1a6s h LEU 58 CO 0.00 0.28 0.58 -1.28 -0.00 0.00 0.00 178.44 178.02 1a6s h SER 59 N 0.70 0.56 1.24 0.17 0.87 -1.55 5.05 113.55 120.59 1a6s h SER 59 Ca 0.47 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 1a6s h SER 59 Cb 0.61 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1a6s h SER 59 CO -0.33 0.26 -0.11 -0.61 -0.53 0.00 0.00 176.83 175.50 1a6s h GLN 60 N 0.58 0.00 -0.03 2.24 5.75 0.27 -3.38 115.11 120.54 1a6s h GLN 60 Ca 0.46 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.81 1a6s h GLN 60 Cb 0.91 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.32 1a6s h GLN 60 CO -0.21 0.11 -0.32 2.89 -2.65 0.00 0.00 178.83 178.65 1a6s n ARG 61 N -3.20 0.52 0.05 1.69 1.85 0.28 -4.97 116.66 112.88 1a6s n ARG 61 Ca 0.01 -1.33 0.06 0.00 -1.00 0.00 0.00 57.85 55.59 1a6s n ARG 61 Cb 0.42 -0.98 0.27 0.00 -1.05 0.00 0.00 32.46 31.13 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1a6s n ALA 62 N 1.66 1.28 0.64 2.89 0.00 1.58 -1.11 120.51 127.45 1a6s n ALA 62 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1a6s n ALA 62 Cb 0.66 -1.18 0.38 0.00 0.00 0.00 0.00 19.45 19.30 1a6s n ALA 62 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a6s n MET 63 N -1.76 0.07 -2.96 0.00 2.81 -1.26 -3.14 117.12 110.87 1a6s n MET 63 Ca 0.01 0.19 -0.20 0.00 -1.81 0.00 0.00 57.70 55.89 1a6s n MET 63 Cb 0.09 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.08 1a6s n MET 63 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1a6s n ILE 64 N -1.44 1.18 0.00 2.02 -0.00 -0.26 -5.04 119.36 115.82 1a6s n ILE 64 Ca 0.05 -4.65 0.00 0.00 -0.00 0.00 0.00 62.75 58.16 1a6s n ILE 64 Cb 0.18 -0.52 0.00 0.00 -0.00 0.00 0.00 39.64 39.30 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1a6s n LEU 65 N -0.00 0.00 0.00 1.39 7.94 -1.19 -4.69 117.00 120.45 1a6s n LEU 65 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 1a6s n LEU 65 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 1a6s n LEU 65 CO 0.27 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 1a6s n GLY 66 N 5.00 -0.33 0.34 -3.96 0.00 -1.26 -4.80 105.19 100.18 1a6s n GLY 66 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1a6s n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a6s n LYS 67 N -1.96 1.62 0.05 1.61 4.81 -1.26 -5.01 118.16 118.02 1a6s n LYS 67 Ca 0.00 -0.33 0.12 0.00 -0.87 0.00 0.00 58.31 57.24 1a6s n LYS 67 Cb 0.00 0.06 0.49 0.00 0.02 0.00 0.00 35.03 35.60 1a6s n LYS 67 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a6s n SER 68 N -1.58 0.34 0.00 3.14 2.88 -1.26 -4.43 113.62 112.71 1a6s n SER 68 Ca -0.01 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1a6s n SER 68 Cb 0.06 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6s n GLY 69 N 1.05 0.00 0.22 0.46 0.00 -1.26 -4.97 105.19 100.69 1a6s n GLY 69 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1a6s n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1a6s n GLU 70 N 0.00 0.00 -0.62 1.61 2.13 -1.26 -4.99 120.64 117.51 1a6s n GLU 70 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1a6s n GLU 70 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1a6s n GLU 70 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1a6s n LEU 71 N -1.09 -0.21 -0.12 4.31 4.77 -1.26 -4.82 117.00 118.58 1a6s n LEU 71 Ca 0.00 -1.23 -0.10 0.00 -0.03 0.00 0.00 56.01 54.64 1a6s n LEU 71 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1a6s n LEU 71 CO 0.00 1.07 0.81 0.50 -1.33 0.00 0.00 177.39 178.44 1a6s h LYS 72 N 0.01 0.61 -0.36 3.23 1.63 -1.99 -0.75 116.57 118.96 1a6s h LYS 72 Ca -0.13 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1a6s h LYS 72 Cb 1.12 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 1a6s h LYS 72 CO -0.06 0.69 0.21 1.15 -3.45 0.00 0.00 179.45 177.99 1a6s h THR 73 N 0.43 1.12 -0.80 1.00 2.02 -1.94 -1.73 112.91 113.02 1a6s h THR 73 Ca 0.11 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.03 1a6s h THR 73 Cb 0.40 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1a6s h THR 73 CO 0.01 0.12 0.53 -0.25 0.37 0.00 0.00 175.52 176.30 1a6s h TRP 74 N 0.46 0.98 -0.62 3.16 7.01 -1.90 -1.67 115.95 123.38 1a6s h TRP 74 Ca 0.13 0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.28 1a6s h TRP 74 Cb 0.01 -0.33 -0.10 0.00 -2.10 0.00 0.00 29.16 26.64 1a6s h TRP 74 CO -0.04 0.58 0.06 0.78 -2.79 0.00 0.00 178.44 177.03 1a6s h GLY 75 N 1.03 0.72 0.77 2.65 0.00 -0.20 1.51 103.07 109.55 1a6s h GLY 75 Ca 0.31 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1a6s h GLY 75 CO -0.08 -0.17 -0.28 1.41 0.00 0.00 0.00 176.54 177.41 1a6s h LEU 76 N 0.17 -0.66 -0.04 3.11 4.07 -1.11 4.45 115.31 125.31 1a6s h LEU 76 Ca 0.33 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.28 1a6s h LEU 76 Cb 0.52 0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.37 1a6s h LEU 76 CO -0.48 -0.32 -0.41 -0.37 -1.08 0.00 0.00 178.44 175.78 1a6s h VAL 77 N -1.02 0.16 0.56 1.22 -1.51 -0.79 0.12 116.25 114.99 1a6s h VAL 77 Ca -0.08 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 1a6s h VAL 77 Cb 0.66 0.16 0.01 0.00 -2.13 0.00 0.00 31.29 29.99 1a6s h VAL 77 CO 0.13 0.00 -0.27 0.25 -1.23 0.00 0.00 177.57 176.45 1a6s h LEU 78 N -0.54 -0.63 -1.52 4.19 7.12 0.21 -2.94 115.31 121.19 1a6s h LEU 78 Ca 0.06 0.02 0.44 0.00 0.13 0.00 0.00 57.88 58.53 1a6s h LEU 78 Cb 0.64 0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.87 1a6s h LEU 78 CO -0.34 -0.27 1.17 0.61 -0.13 0.00 0.00 178.44 179.49 1a6s n GLY 79 N -0.24 -0.80 0.07 3.75 0.00 1.46 0.29 105.19 109.72 1a6s n GLY 79 Ca -0.09 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 1a6s n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 80 N 0.76 0.01 -0.73 4.61 0.00 -0.60 -0.81 119.26 122.50 1a6s h ALA 80 Ca 0.72 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 55.39 1a6s h ALA 80 Cb 3.06 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 20.77 1a6s h ALA 80 CO -0.01 -0.14 0.35 1.25 0.00 0.00 0.00 179.25 180.70 1a6s h LEU 81 N -0.64 0.43 -1.19 0.00 5.85 0.44 0.55 115.31 120.75 1a6s h LEU 81 Ca -0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1a6s h LEU 81 Cb 0.70 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1a6s h LEU 81 CO 0.00 0.23 -0.22 0.11 -0.34 0.00 0.00 178.44 178.22 1a6s h LYS 82 N 0.57 0.00 -0.18 1.25 6.56 -1.26 -2.48 116.57 121.02 1a6s h LYS 82 Ca 0.37 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.83 1a6s h LYS 82 Cb 0.44 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1a6s h LYS 82 CO -0.30 0.22 -0.45 0.00 -2.06 0.00 0.00 179.45 176.86 1a6s h ALA 83 N 1.78 0.88 0.05 3.86 0.00 0.15 -1.64 119.26 124.35 1a6s h ALA 83 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1a6s h ALA 83 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1a6s h ALA 83 CO 0.03 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 1a6s h ALA 84 N 1.15 -0.07 0.00 0.00 0.00 -0.54 0.81 119.26 120.61 1a6s h ALA 84 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1a6s h ALA 84 Cb 0.93 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1a6s h ALA 84 CO 0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 179.25 178.89 1a6s h ARG 85 N -0.32 0.00 -0.58 0.00 3.08 -1.45 0.10 114.38 115.21 1a6s h ARG 85 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1a6s h ARG 85 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1a6s h ARG 85 CO 0.01 0.03 0.00 -0.85 -1.07 0.00 0.00 179.97 178.09 1a6s n GLU 86 N -4.21 3.11 0.00 0.04 -0.00 -0.63 -5.12 120.64 113.83 1a6s n GLU 86 Ca -0.03 -2.60 0.00 0.00 -0.00 0.00 0.00 57.16 54.53 1a6s n GLU 86 Cb 0.11 -1.62 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 1a6s n GLU 86 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22