#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 -0.10 1.61 -0.58 -1.26 -1.31 120.64 119.00 1a6s n GLU 2 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1a6s n GLU 2 Cb 0.00 -1.22 -0.09 0.00 -0.57 0.00 0.00 31.44 29.56 1a6s n GLU 2 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6s n ALA 3 N -0.71 0.78 -0.52 0.62 0.00 -1.26 -1.94 120.51 117.48 1a6s n ALA 3 Ca 0.00 -0.56 0.44 0.00 0.00 0.00 0.00 53.44 53.33 1a6s n ALA 3 Cb 0.00 -0.36 0.78 0.00 0.00 0.00 0.00 19.45 19.87 1a6s n ALA 3 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1a6s h VAL 4 N -1.00 0.20 0.00 0.00 -1.51 -1.38 2.18 116.25 114.75 1a6s h VAL 4 Ca -0.32 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1a6s h VAL 4 Cb 1.19 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1a6s h VAL 4 CO -0.19 0.00 -0.11 -0.38 -1.23 0.00 0.00 177.57 175.66 1a6s n ILE 5 N -4.09 0.27 -0.02 7.19 -0.00 -1.25 -3.68 119.36 117.79 1a6s n ILE 5 Ca 0.35 0.44 0.22 0.00 -0.00 0.00 0.00 62.75 63.76 1a6s n ILE 5 Cb 1.63 -1.67 0.50 0.00 -0.00 0.00 0.00 39.64 40.10 1a6s n ILE 5 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1a6s h LYS 6 N -0.19 0.00 0.00 0.38 3.64 -0.74 -0.13 116.57 119.53 1a6s h LYS 6 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a6s h LYS 6 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1a6s h LYS 6 CO 0.00 0.00 0.00 1.55 -2.27 0.00 0.00 179.45 178.73 1a6s n VAL 7 N -3.25 0.00 -0.32 2.00 3.14 0.73 0.14 118.33 120.77 1a6s n VAL 7 Ca 0.14 1.00 0.21 0.00 -2.96 0.00 0.00 64.34 62.73 1a6s n VAL 7 Cb 1.12 -1.90 0.43 0.00 -1.06 0.00 0.00 33.84 32.43 1a6s n VAL 7 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1a6s h ILE 8 N 0.00 0.27 0.31 1.55 -0.00 -1.17 9.39 117.51 127.87 1a6s h ILE 8 Ca 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 64.86 64.76 1a6s h ILE 8 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 36.82 36.81 1a6s h ILE 8 CO 0.00 0.05 -0.15 0.28 -0.00 0.00 0.00 178.15 178.33 1a6s h SER 9 N 0.26 -0.36 -0.27 2.19 0.02 -1.13 -2.16 113.55 112.10 1a6s h SER 9 Ca 0.69 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.63 1a6s h SER 9 Cb 1.56 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.18 1a6s h SER 9 CO -0.64 -0.17 0.06 -1.28 -1.14 0.00 0.00 176.83 173.65 1a6s h SER 10 N -0.59 0.41 -0.10 3.07 0.87 0.26 -1.68 113.55 115.80 1a6s h SER 10 Ca -0.04 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1a6s h SER 10 Cb 0.32 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1a6s h SER 10 CO 0.07 0.55 0.40 0.00 -0.53 0.00 0.00 176.83 177.32 1a6s h ALA 11 N 0.88 1.55 0.20 6.23 0.00 2.03 10.05 119.26 140.21 1a6s h ALA 11 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1a6s h ALA 11 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a6s h ALA 11 CO 0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 179.25 178.70 1a6s n LYS 13 N -3.95 0.64 0.29 0.00 4.76 -0.32 -3.60 118.16 115.97 1a6s n LYS 13 Ca -0.03 0.38 0.13 0.00 -2.87 0.00 0.00 58.31 55.92 1a6s n LYS 13 Cb 0.11 -1.67 0.83 0.00 -1.84 0.00 0.00 35.03 32.45 1a6s n LYS 13 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1a6s h THR 14 N -0.55 0.68 0.00 -0.18 2.02 2.15 2.80 112.91 119.83 1a6s h THR 14 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1a6s h THR 14 Cb 1.65 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1a6s h THR 14 CO -0.14 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.76 1a6s n TYR 15 N -4.06 0.00 -1.47 3.16 4.19 0.95 -2.18 117.16 117.75 1a6s n TYR 15 Ca -0.03 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 60.85 1a6s n TYR 15 Cb 0.09 -0.29 0.07 0.00 0.49 0.00 0.00 39.34 39.69 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 -0.87 0.76 2.29 0.00 0.00 0.88 -4.75 105.19 103.49 1a6s n GLY 17 Ca 0.59 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 0.00 -0.94 1.61 -0.00 0.21 -0.81 118.16 118.22 1a6s n LYS 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a6s n LYS 18 Cb 0.25 -0.73 0.00 0.00 -0.00 0.00 0.00 35.03 34.55 1a6s n LYS 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1a6s n THR 19 N -1.47 0.00 -2.88 0.58 -1.04 -1.26 -4.96 114.28 103.25 1a6s n THR 19 Ca 0.02 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.69 1a6s n THR 19 Cb 0.38 -0.49 -0.07 0.00 -1.82 0.00 0.00 70.33 68.33 1a6s n THR 19 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1a6s s SER 20 N -2.09 7.06 -0.07 8.00 0.01 0.01 -5.01 113.70 121.61 1a6s s SER 20 Ca 0.00 1.66 -0.19 0.00 1.31 0.00 0.00 55.95 58.73 1a6s s SER 20 Cb 0.00 -2.52 -0.14 0.00 0.21 0.00 0.00 66.02 63.57 1a6s s SER 20 CO 0.00 -0.21 0.71 1.55 0.41 0.00 0.00 173.24 175.70 1a6s h PRO 21 N 2.50 -0.16 0.00 12.44 0.13 -1.93 -3.49 132.00 141.49 1a6s h PRO 21 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1a6s h PRO 21 Cb 1.18 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a6s h PRO 21 CO 0.63 0.28 0.00 0.45 -0.23 0.00 0.00 178.00 179.13 1a6s n SER 22 N -4.86 0.00 0.00 1.44 2.88 -1.26 -5.14 113.62 106.68 1a6s n SER 22 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1a6s n SER 22 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1a6s n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1a6s n LYS 23 N 0.00 0.00 -0.54 -1.46 5.02 -1.26 -4.95 118.16 114.97 1a6s n LYS 23 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1a6s n LYS 23 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.20 1a6s n LYS 23 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a6s n LYS 24 N 0.00 2.73 0.00 1.97 5.02 -1.26 -4.66 118.16 121.96 1a6s n LYS 24 Ca 0.00 -1.70 0.00 0.00 -2.02 0.00 0.00 58.31 54.59 1a6s n LYS 24 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1a6s n LYS 24 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1a6s n GLU 25 N 0.14 0.00 -0.15 1.97 2.13 -1.26 0.14 120.64 123.60 1a6s n GLU 25 Ca 0.20 0.07 0.20 0.00 0.66 0.00 0.00 57.16 58.28 1a6s n GLU 25 Cb 0.87 -0.59 0.59 0.00 0.27 0.00 0.00 31.44 32.58 1a6s n GLU 25 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1a6s h ILE 26 N 0.00 0.71 0.00 6.31 2.04 -1.83 -1.73 117.51 123.01 1a6s h ILE 26 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1a6s h ILE 26 Cb 0.00 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1a6s h ILE 26 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 178.15 178.80 1a6s n GLY 27 N -1.58 -3.18 0.22 5.37 0.00 -0.95 -0.87 105.19 104.20 1a6s n GLY 27 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1a6s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a6s h ALA 28 N -1.85 0.58 -0.99 4.61 0.00 -0.12 2.62 119.26 124.12 1a6s h ALA 28 Ca 0.00 0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.30 1a6s h ALA 28 Cb 0.00 0.30 -0.19 0.00 0.00 0.00 0.00 17.79 17.90 1a6s h ALA 28 CO 0.00 -0.38 -0.19 -0.12 0.00 0.00 0.00 179.25 178.55 1a6s n MET 29 N -5.25 -0.09 -0.09 0.00 0.00 -0.67 0.50 117.12 111.52 1a6s n MET 29 Ca 0.08 1.53 -0.11 0.00 0.00 0.00 0.00 57.70 59.20 1a6s n MET 29 Cb 0.33 -2.31 -0.05 0.00 0.00 0.00 0.00 33.22 31.19 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 -5.59 1.86 -0.29 -0.89 4.32 -0.05 -3.19 117.00 113.18 1a6s n LEU 30 Ca 0.17 0.50 0.16 0.00 -0.02 0.00 0.00 56.01 56.82 1a6s n LEU 30 Cb 0.55 -0.86 0.42 0.00 -1.62 0.00 0.00 43.42 41.91 1a6s n LEU 30 CO -0.11 -0.19 1.21 -1.28 -1.22 0.00 0.00 177.39 175.81 1a6s h SER 31 N -1.00 0.59 0.16 -1.43 0.87 0.47 10.42 113.55 123.64 1a6s h SER 31 Ca -0.13 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1a6s h SER 31 Cb 0.87 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1a6s h SER 31 CO -0.08 0.23 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.31 1a6s h LEU 32 N 0.59 -0.18 -0.15 2.23 -0.00 1.15 0.11 115.31 119.06 1a6s h LEU 32 Ca 0.51 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 58.36 1a6s h LEU 32 Cb 1.01 0.05 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1a6s h LEU 32 CO -0.26 -0.09 -0.06 -0.07 -0.00 0.00 0.00 178.44 177.96 1a6s h LEU 33 N -0.31 0.31 0.00 1.67 -0.00 -1.37 0.10 115.31 115.72 1a6s h LEU 33 Ca -0.02 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1a6s h LEU 33 Cb 0.17 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 1a6s h LEU 33 CO 0.04 0.64 0.00 1.67 -0.00 0.00 0.00 178.44 180.79 1a6s n GLN 34 N -4.66 0.46 -0.98 1.13 0.00 3.29 -0.93 117.38 115.69 1a6s n GLN 34 Ca -0.06 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 56.97 1a6s n GLN 34 Cb 0.29 -1.45 0.04 0.00 0.00 0.00 0.00 30.24 29.12 1a6s n GLN 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a6s n LYS 35 N -0.95 0.23 0.00 3.69 0.00 0.37 -4.74 118.16 116.76 1a6s n LYS 35 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 58.31 56.59 1a6s n LYS 35 Cb 0.05 -0.42 0.00 0.00 0.00 0.00 0.00 35.03 34.66 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 0.05 0.00 -2.57 1.64 1.02 0.30 -4.84 120.64 116.24 1a6s n GLU 36 Ca 0.06 -0.44 -0.07 0.00 -0.02 0.00 0.00 57.16 56.69 1a6s n GLU 36 Cb 0.92 -0.45 0.01 0.00 -0.02 0.00 0.00 31.44 31.90 1a6s n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a6s n GLY 37 N 0.00 0.39 1.29 0.62 0.00 -1.09 -4.65 105.19 101.75 1a6s n GLY 37 Ca 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.48 3.03 -4.30 0.99 4.32 -0.10 -4.97 117.00 114.48 1a6s n LEU 38 Ca -0.02 -3.83 -0.46 0.00 -0.02 0.00 0.00 56.01 51.68 1a6s n LEU 38 Cb 0.53 -0.33 -0.05 0.00 -1.62 0.00 0.00 43.42 41.95 1a6s n LEU 38 CO 0.15 1.46 0.21 -1.48 -1.22 0.00 0.00 177.39 176.50 1a6s s LEU 39 N -2.95 6.29 0.00 2.23 0.05 -1.24 -4.62 118.68 118.45 1a6s s LEU 39 Ca 0.40 -2.07 0.00 0.00 0.05 0.00 0.00 54.13 52.52 1a6s s LEU 39 Cb 0.38 -2.19 0.00 0.00 -2.05 0.00 0.00 46.19 42.33 1a6s s LEU 39 CO -0.05 -0.76 0.00 0.80 -0.55 0.00 0.00 176.35 175.79 1a6s n MET 40 N 4.84 1.66 0.00 1.48 1.56 -1.26 -5.09 117.12 120.31 1a6s n MET 40 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.38 1a6s n MET 40 Cb 0.42 -0.39 0.00 0.00 2.15 0.00 0.00 33.22 35.40 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 -0.32 0.00 0.00 6.12 2.88 -1.26 -4.94 113.62 116.09 1a6s n SER 41 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1a6s n SER 41 Cb 0.00 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.13 0.75 0.22 -1.46 -0.04 -1.26 -3.17 135.00 128.92 1a6s n PRO 42 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1a6s n PRO 42 Cb 0.00 -1.46 0.79 0.00 -0.04 0.00 0.00 33.50 32.79 1a6s n PRO 42 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1a6s h SER 43 N 0.00 0.00 -0.41 3.54 0.02 -1.93 -2.36 113.55 112.41 1a6s h SER 43 Ca 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1a6s h SER 43 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1a6s h SER 43 CO 0.00 0.00 0.79 -0.78 -1.14 0.00 0.00 176.83 175.70 1a6s h ASP 44 N 0.00 0.00 0.69 3.07 3.58 -1.82 3.36 116.42 125.29 1a6s h ASP 44 Ca 0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 1a6s h ASP 44 Cb 0.08 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1a6s h ASP 44 CO 0.00 0.00 -1.31 0.25 -2.88 0.00 0.00 179.24 175.30 1a6s h LEU 45 N 0.00 0.20 -0.31 2.28 6.46 -1.63 -3.22 115.31 119.08 1a6s h LEU 45 Ca 0.20 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1a6s h LEU 45 Cb 1.78 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.64 1a6s h LEU 45 CO -0.00 1.21 0.12 -1.22 -0.62 0.00 0.00 178.44 177.92 1a6s n TYR 46 N -3.37 0.16 -3.87 1.25 4.01 1.11 -4.31 117.16 112.14 1a6s n TYR 46 Ca -0.09 0.08 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 1a6s n TYR 46 Cb 1.00 -0.53 -0.16 0.00 -0.31 0.00 0.00 39.34 39.35 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 -3.04 0.26 0.64 7.72 0.15 -1.18 -5.15 113.70 113.10 1a6s s SER 47 Ca -0.01 -0.00 -0.13 0.00 0.70 0.00 0.00 55.95 56.51 1a6s s SER 47 Cb 0.01 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 1a6s s SER 47 CO 0.04 -0.10 1.05 -2.16 1.20 0.00 0.00 173.24 173.28 1a6s s PRO 48 N 0.92 3.15 -0.91 5.44 0.04 -1.26 -3.98 135.00 138.39 1a6s s PRO 48 Ca -0.09 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.97 1a6s s PRO 48 Cb -0.12 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1a6s s PRO 48 CO -0.02 -0.94 0.79 0.41 0.04 0.00 0.00 177.00 177.28 1a6s n GLY 49 N -1.55 -0.11 0.79 0.56 0.00 -1.26 -4.92 105.19 98.70 1a6s n GLY 49 Ca 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1a6s n GLY 49 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a6s n SER 50 N -1.98 2.97 -0.59 1.61 2.88 -1.26 -4.17 113.62 113.09 1a6s n SER 50 Ca -0.07 -1.90 0.12 0.00 -1.33 0.00 0.00 58.87 55.69 1a6s n SER 50 Cb 0.57 -0.23 0.21 0.00 -0.75 0.00 0.00 64.21 64.01 1a6s n SER 50 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1a6s n TRP 51 N 0.85 0.00 0.19 0.66 7.02 -1.26 -3.84 117.44 121.06 1a6s n TRP 51 Ca 0.14 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.69 1a6s n TRP 51 Cb 0.45 -0.02 0.28 0.00 -2.42 0.00 0.00 31.31 29.60 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 2.87 0.00 0.32 -0.99 -0.00 -1.99 -2.25 116.42 114.39 1a6s h ASP 52 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 56.82 1a6s h ASP 52 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.06 1a6s h ASP 52 CO 0.00 0.31 -0.85 1.55 -0.00 0.00 0.00 179.24 180.25 1a6s h PRO 53 N 0.00 0.39 0.00 0.28 0.13 -1.86 -2.78 132.00 128.16 1a6s h PRO 53 Ca -0.00 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1a6s h PRO 53 Cb 0.99 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1a6s h PRO 53 CO 0.04 1.04 -0.06 0.97 -0.23 0.00 0.00 178.00 179.76 1a6s h ILE 54 N 0.24 0.11 0.09 -3.56 2.10 -1.74 -2.00 117.51 112.74 1a6s h ILE 54 Ca -0.06 -1.13 -0.00 0.00 1.08 0.00 0.00 64.86 64.75 1a6s h ILE 54 Cb 1.47 2.03 0.00 0.00 -1.09 0.00 0.00 36.82 39.23 1a6s h ILE 54 CO 0.15 0.06 -0.04 0.74 -1.08 0.00 0.00 178.15 177.97 1a6s h THR 55 N 0.00 1.16 0.00 2.19 2.02 -1.29 -2.35 112.91 114.64 1a6s h THR 55 Ca -0.00 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.07 1a6s h THR 55 Cb 1.03 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1a6s h THR 55 CO 0.01 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.16 1a6s h ALA 56 N 0.16 1.00 0.12 6.16 0.00 -1.56 -2.80 119.26 122.34 1a6s h ALA 56 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1a6s h ALA 56 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a6s h ALA 56 CO 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.21 1a6s h ALA 57 N 2.38 -0.57 -0.99 0.00 0.00 -1.26 0.64 119.26 119.46 1a6s h ALA 57 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1a6s h ALA 57 Cb 0.63 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1a6s h ALA 57 CO 0.00 -0.56 0.60 1.37 0.00 0.00 0.00 179.25 180.66 1a6s h LEU 58 N -0.26 0.81 -0.72 0.00 -0.00 -1.51 0.49 115.31 114.13 1a6s h LEU 58 Ca -0.02 0.08 -0.11 0.00 -0.00 0.00 0.00 57.88 57.83 1a6s h LEU 58 Cb 0.12 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.69 1a6s h LEU 58 CO 0.03 0.35 -0.19 -1.28 -0.00 0.00 0.00 178.44 177.34 1a6s h SER 59 N 0.83 0.79 0.33 0.17 0.87 -1.54 4.46 113.55 119.45 1a6s h SER 59 Ca 0.54 -0.27 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 1a6s h SER 59 Cb 0.74 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1a6s h SER 59 CO -0.34 0.97 -0.45 1.56 -0.53 0.00 0.00 176.83 178.03 1a6s h GLN 60 N 0.69 0.15 -1.28 2.24 1.08 0.40 -3.33 115.11 115.06 1a6s h GLN 60 Ca 0.10 -0.08 -0.39 0.00 -1.45 0.00 0.00 58.65 56.83 1a6s h GLN 60 Cb 0.70 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 27.76 1a6s h GLN 60 CO 0.05 0.58 -1.09 0.54 -0.95 0.00 0.00 178.83 177.96 1a6s n ARG 61 N -3.99 1.06 0.00 1.46 1.74 0.13 -4.88 116.66 112.19 1a6s n ARG 61 Ca -0.02 -3.12 0.12 0.00 -0.77 0.00 0.00 57.85 54.06 1a6s n ARG 61 Cb 0.50 -1.34 0.69 0.00 -1.02 0.00 0.00 32.46 31.28 1a6s n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1a6s n ALA 62 N 0.07 2.46 1.01 7.54 0.00 1.46 -2.86 120.51 130.20 1a6s n ALA 62 Ca 0.15 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1a6s n ALA 62 Cb 0.75 -1.38 0.55 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.94 0.27 0.00 0.00 2.81 -1.26 -2.05 117.12 115.95 1a6s n MET 63 Ca 0.17 0.08 0.11 0.00 -1.81 0.00 0.00 57.70 56.25 1a6s n MET 63 Cb 0.08 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 30.98 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 -1.32 0.03 -4.46 2.02 5.41 -1.13 -4.13 119.36 115.78 1a6s n ILE 64 Ca 0.10 -0.21 -0.21 0.00 1.00 0.00 0.00 62.75 63.43 1a6s n ILE 64 Cb 0.19 0.52 -0.14 0.00 -0.71 0.00 0.00 39.64 39.50 1a6s n ILE 64 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1a6s s LEU 65 N -3.67 2.14 0.00 1.39 1.43 -0.87 -2.35 118.68 116.74 1a6s s LEU 65 Ca 0.02 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1a6s s LEU 65 Cb 0.15 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.70 1a6s s LEU 65 CO 0.87 0.08 0.00 0.61 0.23 0.00 0.00 176.35 178.14 1a6s n GLY 66 N 2.10 2.96 0.90 -3.19 0.00 -1.26 -3.89 105.19 102.81 1a6s n GLY 66 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1a6s n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a6s n LYS 67 N -0.61 0.04 -0.02 1.61 5.02 -1.26 -4.75 118.16 118.19 1a6s n LYS 67 Ca 0.00 0.01 0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1a6s n LYS 67 Cb 0.00 -0.37 0.35 0.00 -0.02 0.00 0.00 35.03 34.99 1a6s n LYS 67 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1a6s n SER 68 N -3.12 2.14 0.00 4.39 7.64 -1.26 -4.87 113.62 118.53 1a6s n SER 68 Ca -0.01 -1.72 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1a6s n SER 68 Cb 0.04 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1a6s n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6s n GLY 69 N 1.25 2.28 0.00 0.23 0.00 -0.99 -4.88 105.19 103.08 1a6s n GLY 69 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.25 1.61 4.07 -1.26 -4.13 120.64 121.18 1a6s n GLU 70 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 1a6s n GLU 70 Cb 0.00 0.00 0.66 0.00 -0.06 0.00 0.00 31.44 32.04 1a6s n GLU 70 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1a6s h LEU 71 N 0.00 0.00 -0.96 4.31 6.46 -1.87 0.61 115.31 123.86 1a6s h LEU 71 Ca 0.00 0.00 0.29 0.00 -0.12 0.00 0.00 57.88 58.05 1a6s h LEU 71 Cb 0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 39.78 1a6s h LEU 71 CO 0.00 0.00 0.44 0.50 -0.62 0.00 0.00 178.44 178.76 1a6s h LYS 72 N 0.00 0.28 -0.69 1.25 3.11 -1.94 1.00 116.57 119.57 1a6s h LYS 72 Ca 0.07 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1a6s h LYS 72 Cb 1.08 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.21 1a6s h LYS 72 CO -0.00 0.18 0.44 1.15 -2.81 0.00 0.00 179.45 178.41 1a6s h THR 73 N 0.29 1.11 -0.18 1.00 2.02 -1.30 -2.17 112.91 113.68 1a6s h THR 73 Ca 0.67 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.60 1a6s h THR 73 Cb 1.45 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.98 1a6s h THR 73 CO -0.63 0.16 -0.13 -0.25 0.37 0.00 0.00 175.52 175.05 1a6s h TRP 74 N 0.87 -0.31 -0.89 3.16 7.01 0.84 -1.57 115.95 125.06 1a6s h TRP 74 Ca 0.27 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.46 1a6s h TRP 74 Cb -0.01 0.17 -0.16 0.00 -2.10 0.00 0.00 29.16 27.06 1a6s h TRP 74 CO -0.04 -0.19 -0.27 0.41 -2.79 0.00 0.00 178.44 175.56 1a6s n GLY 75 N -1.28 -1.62 0.31 2.65 0.00 -0.76 0.35 105.19 104.84 1a6s n GLY 75 Ca -0.02 0.97 -0.07 0.00 0.00 0.00 0.00 46.02 46.90 1a6s n GLY 75 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a6s h LEU 76 N 0.00 1.00 0.44 0.99 4.07 -1.27 4.34 115.31 124.89 1a6s h LEU 76 Ca 0.38 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1a6s h LEU 76 Cb 0.61 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1a6s h LEU 76 CO -0.91 0.95 -0.21 1.62 -1.08 0.00 0.00 178.44 178.81 1a6s h VAL 77 N 1.00 0.30 0.49 1.22 3.04 0.37 -2.81 116.25 119.86 1a6s h VAL 77 Ca 0.22 -0.57 -0.02 0.00 -1.01 0.00 0.00 66.70 65.31 1a6s h VAL 77 Cb 0.31 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1a6s h VAL 77 CO -0.01 0.06 -0.23 0.25 -1.01 0.00 0.00 177.57 176.63 1a6s h LEU 78 N -1.04 -0.55 -1.38 3.16 7.12 0.61 -3.00 115.31 120.23 1a6s h LEU 78 Ca -0.06 -0.03 0.40 0.00 0.13 0.00 0.00 57.88 58.32 1a6s h LEU 78 Cb 0.55 0.14 -0.06 0.00 -0.53 0.00 0.00 40.66 40.77 1a6s h LEU 78 CO 0.10 -0.14 1.22 0.61 -0.13 0.00 0.00 178.44 180.10 1a6s n GLY 79 N -0.06 -0.80 0.12 3.75 0.00 1.43 0.22 105.19 109.84 1a6s n GLY 79 Ca -0.09 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 0.69 -0.18 -0.78 4.61 0.00 -1.34 0.99 119.26 123.25 1a6s h ALA 80 Ca 0.66 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.52 1a6s h ALA 80 Cb 3.08 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 20.84 1a6s h ALA 80 CO -0.01 -0.39 0.32 1.25 0.00 0.00 0.00 179.25 180.42 1a6s h LEU 81 N -0.60 0.29 -1.09 0.00 5.85 0.26 0.99 115.31 121.01 1a6s h LEU 81 Ca -0.02 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 1a6s h LEU 81 Cb 0.46 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1a6s h LEU 81 CO 0.03 0.10 -0.26 0.11 -0.34 0.00 0.00 178.44 178.08 1a6s h LYS 82 N 0.45 0.00 -0.20 1.25 6.56 -1.35 -2.57 116.57 120.70 1a6s h LYS 82 Ca 0.44 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.89 1a6s h LYS 82 Cb 0.68 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.33 1a6s h LYS 82 CO -0.42 0.26 -0.44 0.00 -2.06 0.00 0.00 179.45 176.79 1a6s h ALA 83 N 1.74 0.87 0.07 3.86 0.00 0.35 -0.97 119.26 125.18 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 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1a6s h ALA 83 CO 0.03 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.90 1a6s h ALA 84 N 1.12 -0.09 0.00 0.00 0.00 -0.43 0.73 119.26 120.60 1a6s h ALA 84 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1a6s h ALA 84 Cb 0.93 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1a6s h ALA 84 CO 0.08 -0.44 -0.04 -0.09 0.00 0.00 0.00 179.25 178.76 1a6s h ARG 85 N -0.31 0.00 0.13 0.00 2.43 -1.45 -2.24 114.38 112.96 1a6s h ARG 85 Ca -0.01 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.84 1a6s h ARG 85 Cb 0.27 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1a6s h ARG 85 CO 0.02 0.04 -1.63 1.49 -1.51 0.00 0.00 179.97 178.37 1a6s h GLU 86 N 0.00 0.28 0.00 0.20 4.57 -0.57 -3.51 114.58 115.55 1a6s h GLU 86 Ca -0.00 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1a6s h GLU 86 Cb 0.29 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1a6s h GLU 86 CO 0.01 1.15 0.00 -1.91 -1.18 0.00 0.00 179.01 177.08