#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cff n ASP 2 N 0.00 -7.28 -4.50 0.00 8.00 -1.26 -4.92 116.55 106.59 1cff n ASP 2 Ca 0.00 1.22 -0.43 0.00 0.71 0.00 0.00 54.79 56.29 1cff n ASP 2 Cb 0.00 -3.98 -0.08 0.00 -0.02 0.00 0.00 41.12 37.04 1cff n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cff s GLN 3 N -1.11 3.20 0.34 -1.24 -0.21 -1.26 -5.04 119.66 114.34 1cff s GLN 3 Ca 0.00 -0.57 -0.29 0.00 0.02 0.00 0.00 55.36 54.53 1cff s GLN 3 Cb 0.00 -3.95 -0.12 0.00 1.00 0.00 0.00 33.01 29.94 1cff s GLN 3 CO 0.00 -0.91 1.45 1.47 -2.12 0.00 0.00 175.29 175.19 1cff n LEU 4 N 5.88 4.19 -4.77 2.90 -0.00 -1.26 -4.94 117.00 119.00 1cff n LEU 4 Ca -0.05 1.20 -0.39 0.00 -0.00 0.00 0.00 56.01 56.77 1cff n LEU 4 Cb 0.48 -1.56 -0.03 0.00 -0.00 0.00 0.00 43.42 42.31 1cff n LEU 4 CO 0.49 -0.08 0.82 0.42 -0.00 0.00 0.00 177.39 179.04 1cff s THR 5 N -0.76 3.32 -0.63 1.47 -4.23 -1.26 -4.94 115.64 108.62 1cff s THR 5 Ca 0.58 1.17 0.24 0.00 -1.18 0.00 0.00 61.69 62.49 1cff s THR 5 Cb -0.52 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 69.62 1cff s THR 5 CO 0.59 0.16 1.19 1.21 -0.54 0.00 0.00 174.62 177.23 1cff n GLU 6 N 0.42 0.29 0.08 3.99 2.13 -1.26 -3.58 120.64 122.71 1cff n GLU 6 Ca 0.03 0.05 -0.03 0.00 0.66 0.00 0.00 57.16 57.86 1cff n GLU 6 Cb 0.46 -1.64 -0.02 0.00 0.27 0.00 0.00 31.44 30.51 1cff n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1cff h GLU 7 N 0.00 -0.22 0.42 5.31 4.39 -1.99 -2.44 114.58 120.05 1cff h GLU 7 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1cff h GLU 7 Cb 0.74 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1cff h GLU 7 CO 0.00 -0.15 -0.20 1.96 -1.16 0.00 0.00 179.01 179.47 1cff h GLN 8 N -0.49 -0.54 -0.68 2.33 4.20 -2.00 -3.05 115.11 114.88 1cff h GLN 8 Ca -0.02 0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.87 1cff h GLN 8 Cb 0.17 0.12 -0.12 0.00 0.30 0.00 0.00 27.48 27.96 1cff h GLN 8 CO 0.04 -0.26 -0.01 0.97 -0.67 0.00 0.00 178.83 178.89 1cff h ILE 9 N -0.75 0.42 -1.00 2.54 2.10 -1.75 0.49 117.51 119.56 1cff h ILE 9 Ca -0.06 -0.04 0.31 0.00 1.08 0.00 0.00 64.86 66.15 1cff h ILE 9 Cb 0.52 0.31 -0.14 0.00 -1.09 0.00 0.00 36.82 36.41 1cff h ILE 9 CO 0.09 0.02 0.57 0.00 -1.08 0.00 0.00 178.15 177.75 1cff h ALA 10 N 1.63 1.91 -0.46 0.18 0.00 -1.33 1.46 119.26 122.65 1cff h ALA 10 Ca 0.36 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.49 1cff h ALA 10 Cb 0.60 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1cff h ALA 10 CO -0.60 -0.52 0.23 0.93 0.00 0.00 0.00 179.25 179.29 1cff h GLU 11 N 0.37 0.44 -0.32 0.00 4.39 0.05 0.95 114.58 120.46 1cff h GLU 11 Ca 0.72 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 60.41 1cff h GLU 11 Cb 1.58 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1cff h GLU 11 CO -0.58 0.29 0.21 0.35 -1.16 0.00 0.00 179.01 178.12 1cff h PHE 12 N 0.45 0.33 -0.54 4.33 3.57 0.21 0.16 116.94 125.45 1cff h PHE 12 Ca 0.20 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.61 1cff h PHE 12 Cb 0.12 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1cff h PHE 12 CO -0.11 0.20 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.88 1cff h LYS 13 N 0.35 0.99 -0.59 1.11 3.11 0.32 0.38 116.57 122.24 1cff h LYS 13 Ca 0.13 -0.34 0.12 0.00 -2.81 0.00 0.00 60.65 57.75 1cff h LYS 13 Cb 0.08 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 1cff h LYS 13 CO -0.03 1.01 0.40 0.93 -2.81 0.00 0.00 179.45 178.96 1cff h GLU 14 N 0.89 0.27 0.10 1.90 5.08 0.36 1.00 114.58 124.17 1cff h GLU 14 Ca 0.15 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1cff h GLU 14 Cb 0.62 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1cff h GLU 14 CO 0.04 0.18 -0.63 0.00 -1.00 0.00 0.00 179.01 177.60 1cff h ALA 15 N 1.71 -0.04 0.00 3.43 0.00 -1.11 -2.75 119.26 120.50 1cff h ALA 15 Ca 0.28 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1cff h ALA 15 Cb 0.71 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1cff h ALA 15 CO -0.06 0.30 0.07 0.35 0.00 0.00 0.00 179.25 179.91 1cff h PHE 16 N -0.56 0.00 0.10 0.00 3.04 0.11 2.51 116.94 122.13 1cff h PHE 16 Ca -0.12 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.50 1cff h PHE 16 Cb 1.46 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 1cff h PHE 16 CO 0.21 0.00 -1.80 1.03 -2.02 0.00 0.00 178.31 175.73 1cff h SER 17 N 0.00 0.33 0.59 0.41 0.87 0.98 -3.28 113.55 113.46 1cff h SER 17 Ca 0.00 -0.64 -0.28 0.00 -1.23 0.00 0.00 61.79 59.64 1cff h SER 17 Cb 0.14 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1cff h SER 17 CO 0.00 1.56 -1.32 -0.07 -0.53 0.00 0.00 176.83 176.47 1cff h LEU 18 N 0.06 0.41 -2.02 2.23 4.07 -0.60 -3.16 115.31 116.30 1cff h LEU 18 Ca -0.34 -0.47 0.12 0.00 0.08 0.00 0.00 57.88 57.27 1cff h LEU 18 Cb 2.03 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.62 1cff h LEU 18 CO 0.11 1.37 0.41 0.15 -1.08 0.00 0.00 178.44 179.40 1cff h PHE 19 N 0.07 0.00 0.00 1.13 3.04 0.41 1.06 116.94 122.65 1cff h PHE 19 Ca -0.16 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.79 1cff h PHE 19 Cb 1.98 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.49 1cff h PHE 19 CO 0.06 0.00 -0.06 0.22 -2.02 0.00 0.00 178.31 176.51 1cff h ASP 20 N 0.00 0.00 -6.89 0.41 3.58 -1.60 -3.45 116.42 108.47 1cff h ASP 20 Ca 0.20 -0.01 -0.58 0.00 0.42 0.00 0.00 57.03 57.06 1cff h ASP 20 Cb 1.01 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.88 1cff h ASP 20 CO -0.00 0.00 -0.93 2.29 -2.88 0.00 0.00 179.24 177.73 1cff n LYS 21 N -2.69 -1.82 0.00 0.28 2.85 0.37 -4.61 118.16 112.54 1cff n LYS 21 Ca 0.04 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 1cff n LYS 21 Cb 0.49 -4.11 0.00 0.00 -0.65 0.00 0.00 35.03 30.75 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1cff n ASP 22 N -2.86 0.00 -0.39 -5.58 5.75 -1.26 -5.05 116.55 107.16 1cff n ASP 22 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 1cff n ASP 22 Cb 0.65 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1cff n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 23 N -1.03 0.80 0.06 6.12 0.00 -1.26 -5.00 105.19 104.87 1cff n GLY 23 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 1cff n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cff n ASP 24 N 0.37 2.24 0.00 1.61 2.03 -1.26 -5.02 116.55 116.53 1cff n ASP 24 Ca 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cff n ASP 24 Cb 0.29 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1cff n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cff n GLY 25 N 2.34 0.66 2.89 0.27 0.00 -1.26 -5.05 105.19 105.04 1cff n GLY 25 Ca -0.19 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1cff n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cff s THR 26 N -2.00 -0.20 -0.31 2.61 -4.23 -1.26 -4.54 115.64 105.70 1cff s THR 26 Ca 0.00 0.29 -0.17 0.00 -1.18 0.00 0.00 61.69 60.63 1cff s THR 26 Cb 0.00 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.52 1cff s THR 26 CO 0.00 0.12 0.46 -0.63 -0.54 0.00 0.00 174.62 174.03 1cff s ILE 27 N 1.93 5.09 0.31 2.99 -1.09 -0.72 -4.85 121.20 124.87 1cff s ILE 27 Ca -0.01 0.45 0.05 0.00 -2.23 0.00 0.00 60.65 58.91 1cff s ILE 27 Cb -0.12 -3.85 -0.06 0.00 -1.58 0.00 0.00 42.46 36.85 1cff s ILE 27 CO -0.06 -0.05 0.00 -0.89 -1.23 0.00 0.00 174.94 172.71 1cff s THR 28 N 2.24 1.47 0.60 2.92 2.01 -1.26 -1.18 115.64 122.44 1cff s THR 28 Ca 0.17 -2.05 0.28 0.00 0.31 0.00 0.00 61.69 60.41 1cff s THR 28 Cb -0.16 -2.67 0.38 0.00 0.01 0.00 0.00 72.50 70.06 1cff s THR 28 CO 0.11 -0.13 1.77 0.71 -0.69 0.00 0.00 174.62 176.40 1cff h THR 29 N 2.15 0.26 0.35 -0.82 1.35 -1.95 0.27 112.91 114.51 1cff h THR 29 Ca -0.41 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.43 1cff h THR 29 Cb 1.24 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1cff h THR 29 CO 0.70 0.00 -0.17 0.50 -0.25 0.00 0.00 175.52 176.30 1cff h LYS 30 N 0.00 -0.46 -0.06 4.72 3.64 -1.97 0.32 116.57 122.77 1cff h LYS 30 Ca 0.26 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1cff h LYS 30 Cb 1.50 0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.43 1cff h LYS 30 CO -0.00 -0.30 -0.39 1.05 -2.27 0.00 0.00 179.45 177.53 1cff h GLU 31 N -0.48 0.37 -0.92 1.90 9.09 -1.70 -2.69 114.58 120.15 1cff h GLU 31 Ca -0.05 -0.32 0.07 0.00 0.05 0.00 0.00 59.36 59.11 1cff h GLU 31 Cb 0.36 0.07 -0.07 0.00 -1.65 0.00 0.00 28.75 27.47 1cff h GLU 31 CO 0.08 0.97 0.58 1.25 0.05 0.00 0.00 179.01 181.93 1cff h LEU 32 N -0.13 0.90 -0.75 3.06 6.46 -0.62 -1.49 115.31 122.75 1cff h LEU 32 Ca -0.03 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1cff h LEU 32 Cb 1.06 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.79 1cff h LEU 32 CO 0.08 0.56 0.16 1.23 -0.62 0.00 0.00 178.44 179.85 1cff h GLY 33 N 1.03 1.19 0.40 3.75 0.00 -0.36 0.24 103.07 109.31 1cff h GLY 33 Ca 0.41 -0.75 0.07 0.00 0.00 0.00 0.00 47.33 47.06 1cff h GLY 33 CO -0.19 0.70 0.06 -0.84 0.00 0.00 0.00 176.54 176.27 1cff h THR 34 N 1.05 0.73 -0.12 4.70 2.02 -0.93 0.25 112.91 120.62 1cff h THR 34 Ca 0.22 -0.06 -0.19 0.00 0.77 0.00 0.00 66.41 67.14 1cff h THR 34 Cb 0.38 0.53 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1cff h THR 34 CO 0.00 0.03 -0.68 0.58 0.37 0.00 0.00 175.52 175.82 1cff h VAL 35 N 0.18 1.32 0.00 3.16 2.07 -1.28 -1.50 116.25 120.20 1cff h VAL 35 Ca 0.22 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.80 1cff h VAL 35 Cb 0.29 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1cff h VAL 35 CO -0.31 0.60 0.00 0.23 0.02 0.00 0.00 177.57 178.11 1cff n MET 36 N -4.06 0.11 -0.10 1.57 2.81 0.81 0.12 117.12 118.38 1cff n MET 36 Ca -0.08 0.54 -0.14 0.00 -1.81 0.00 0.00 57.70 56.21 1cff n MET 36 Cb 0.70 -1.82 -0.10 0.00 -0.71 0.00 0.00 33.22 31.29 1cff n MET 36 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1cff n ARG 37 N -2.05 0.66 0.07 0.03 0.63 0.83 0.17 116.66 117.00 1cff n ARG 37 Ca -0.00 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 1cff n ARG 37 Cb 0.08 -1.43 0.04 0.00 0.45 0.00 0.00 32.46 31.60 1cff n ARG 37 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1cff n SER 38 N -3.04 0.71 0.04 6.15 7.64 -0.58 -3.38 113.62 121.16 1cff n SER 38 Ca -0.36 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1cff n SER 38 Cb 0.93 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 1cff n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1cff n LEU 39 N -2.34 0.69 0.26 -3.43 7.99 0.32 -4.72 117.00 115.77 1cff n LEU 39 Ca 0.01 0.12 0.11 0.00 -0.01 0.00 0.00 56.01 56.24 1cff n LEU 39 Cb 0.50 -0.19 0.69 0.00 -0.11 0.00 0.00 43.42 44.31 1cff n LEU 39 CO 0.39 -0.68 0.97 1.23 -1.51 0.00 0.00 177.39 177.79 1cff h GLY 40 N 0.00 0.00 -4.74 -0.72 0.00 -0.92 -3.46 103.07 93.23 1cff h GLY 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cff h GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1cff n GLN 41 N -3.77 0.00 0.06 4.80 10.64 0.46 -4.41 117.38 125.16 1cff n GLN 41 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1cff n GLN 41 Cb 0.23 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.61 1cff n GLN 41 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1cff n ASN 42 N 0.50 -1.08 -3.46 2.61 5.03 -1.11 -4.99 115.26 112.77 1cff n ASN 42 Ca 0.00 0.60 -0.49 0.00 0.87 0.00 0.00 54.58 55.56 1cff n ASN 42 Cb 0.00 1.36 -0.09 0.00 -1.02 0.00 0.00 39.78 40.04 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 1cff n PRO 43 N -3.09 0.00 -0.70 3.52 -0.02 -1.26 -4.85 135.00 128.60 1cff n PRO 43 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1cff n PRO 43 Cb 0.00 -1.17 0.16 0.00 -0.02 0.00 0.00 33.50 32.47 1cff n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1cff n THR 44 N 4.28 0.00 0.12 3.45 -2.24 -1.26 -4.73 114.28 113.89 1cff n THR 44 Ca 0.35 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 1cff n THR 44 Cb -0.04 -0.71 0.57 0.00 -2.10 0.00 0.00 70.33 68.05 1cff n THR 44 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1cff h GLU 45 N -1.90 0.19 0.00 -0.78 4.39 -2.03 -1.67 114.58 112.78 1cff h GLU 45 Ca -0.49 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.11 1cff h GLU 45 Cb 1.31 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 1cff h GLU 45 CO 0.38 0.13 -1.35 0.00 -1.16 0.00 0.00 179.01 177.01 1cff n ALA 46 N -2.53 2.24 0.46 3.43 0.00 -1.26 -4.39 120.51 118.45 1cff n ALA 46 Ca 0.02 -0.45 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 1cff n ALA 46 Cb 0.18 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 1cff n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cff h GLU 47 N 0.00 -1.12 -0.78 0.00 4.57 -1.61 -1.02 114.58 114.62 1cff h GLU 47 Ca -0.10 0.08 0.23 0.00 -1.18 0.00 0.00 59.36 58.38 1cff h GLU 47 Cb 1.32 0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 30.13 1cff h GLU 47 CO 0.02 -0.74 0.72 1.37 -1.18 0.00 0.00 179.01 179.20 1cff h LEU 48 N -1.17 0.00 -0.08 1.64 8.10 -1.75 1.69 115.31 123.75 1cff h LEU 48 Ca -0.12 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.67 1cff h LEU 48 Cb 0.89 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.12 1cff h LEU 48 CO 0.20 0.00 -0.73 -0.61 -4.11 0.00 0.00 178.44 173.19 1cff h GLN 49 N 0.00 0.63 0.00 0.17 5.75 -1.59 0.30 115.11 120.37 1cff h GLN 49 Ca 0.37 -0.57 -0.09 0.00 -0.15 0.00 0.00 58.65 58.20 1cff h GLN 49 Cb 1.81 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 30.49 1cff h GLN 49 CO -0.00 1.19 -0.45 0.22 -2.65 0.00 0.00 178.83 177.14 1cff h ASP 50 N 0.27 0.00 0.07 -0.69 3.58 0.32 0.48 116.42 120.44 1cff h ASP 50 Ca -0.07 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.15 1cff h ASP 50 Cb 1.38 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.44 1cff h ASP 50 CO 0.15 0.45 -0.86 -0.03 -2.88 0.00 0.00 179.24 176.06 1cff h MET 51 N 0.00 0.61 -0.07 0.28 4.05 0.18 -0.50 114.93 119.48 1cff h MET 51 Ca -0.00 -0.56 -0.11 0.00 -0.28 0.00 0.00 59.70 58.74 1cff h MET 51 Cb 0.85 0.14 0.01 0.00 -0.80 0.00 0.00 31.60 31.80 1cff h MET 51 CO 0.06 1.18 -0.40 0.82 0.23 0.00 0.00 176.91 178.80 1cff h ILE 52 N 0.39 1.41 0.00 1.77 1.08 -0.06 -2.82 117.51 119.27 1cff h ILE 52 Ca -0.07 -1.79 -0.03 0.00 -0.39 0.00 0.00 64.86 62.57 1cff h ILE 52 Cb 1.49 2.32 -0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1cff h ILE 52 CO 0.16 0.52 -0.15 0.78 -0.69 0.00 0.00 178.15 178.78 1cff h ASN 53 N -0.07 0.00 0.79 1.72 4.21 -0.10 -0.49 115.58 121.65 1cff h ASN 53 Ca -0.03 0.00 -0.13 0.00 1.21 0.00 0.00 56.30 57.35 1cff h ASN 53 Cb 1.06 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.24 1cff h ASN 53 CO 0.08 0.15 -0.60 -0.33 -1.29 0.00 0.00 177.43 175.44 1cff h GLU 54 N 0.00 0.00 0.00 0.81 5.08 -0.99 -3.05 114.58 116.43 1cff h GLU 54 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 54 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1cff h GLU 54 CO 0.02 0.60 -0.97 0.28 -1.00 0.00 0.00 179.01 177.93 1cff n VAL 55 N -3.62 0.29 -0.56 3.13 0.31 -0.69 -4.58 118.33 112.61 1cff n VAL 55 Ca -0.01 -0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 63.84 1cff n VAL 55 Cb 0.64 0.01 -0.02 0.00 -0.91 0.00 0.00 33.84 33.56 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1cff n ASP 56 N -2.15 3.69 -0.31 4.52 8.00 -0.28 -4.49 116.55 125.54 1cff n ASP 56 Ca 0.02 -2.22 0.02 0.00 0.71 0.00 0.00 54.79 53.32 1cff n ASP 56 Cb 0.47 -0.93 0.22 0.00 -0.02 0.00 0.00 41.12 40.85 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cff h ALA 57 N 6.56 1.46 0.00 2.24 0.00 -1.84 -1.63 119.26 126.04 1cff h ALA 57 Ca 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1cff h ALA 57 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1cff h ALA 57 CO 1.27 0.43 -1.86 -0.40 0.00 0.00 0.00 179.25 178.70 1cff n ASP 58 N -4.46 0.13 -3.97 0.00 5.68 -1.26 -5.01 116.55 107.64 1cff n ASP 58 Ca 0.13 0.05 -0.38 0.00 -0.50 0.00 0.00 54.79 54.09 1cff n ASP 58 Cb 0.14 1.76 0.01 0.00 -1.14 0.00 0.00 41.12 41.90 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cff n GLY 59 N 1.25 -0.80 0.11 6.12 0.00 -0.62 -4.87 105.19 106.39 1cff n GLY 59 Ca -0.04 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 1cff n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1cff n ASN 60 N -1.81 1.38 0.01 1.61 6.94 -1.26 -4.97 115.26 117.16 1cff n ASN 60 Ca -0.13 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1cff n ASN 60 Cb 0.51 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1cff n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cff n GLY 61 N 1.82 -0.48 0.00 4.83 0.00 -1.26 -5.07 105.19 105.04 1cff n GLY 61 Ca -0.28 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1cff n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cff n THR 62 N -2.34 0.00 -2.35 2.61 -2.24 -1.26 -5.07 114.28 103.63 1cff n THR 62 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1cff n THR 62 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1cff n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1cff s ILE 63 N -2.80 3.57 0.07 2.28 -1.09 -0.33 -4.89 121.20 118.01 1cff s ILE 63 Ca 0.00 1.28 0.04 0.00 -2.23 0.00 0.00 60.65 59.74 1cff s ILE 63 Cb 0.00 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1cff s ILE 63 CO 0.00 0.19 -0.12 1.51 -1.23 0.00 0.00 174.94 175.29 1cff s ASP 64 N 0.30 1.42 0.25 3.58 1.47 -1.26 -1.75 116.67 120.68 1cff s ASP 64 Ca 0.54 -0.65 -0.12 0.00 1.18 0.00 0.00 52.55 53.50 1cff s ASP 64 Cb -0.33 -0.01 0.36 0.00 -0.34 0.00 0.00 42.92 42.60 1cff s ASP 64 CO 0.36 -0.16 1.52 0.33 0.68 0.00 0.00 175.17 177.90 1cff n PHE 65 N 1.12 0.22 0.14 2.11 7.35 -1.26 -0.75 117.46 126.39 1cff n PHE 65 Ca -0.20 1.19 -0.14 0.00 -0.76 0.00 0.00 57.45 57.55 1cff n PHE 65 Cb 0.55 -0.98 -0.08 0.00 0.35 0.00 0.00 39.48 39.32 1cff n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1cff h PRO 66 N 0.00 -0.33 -0.50 -7.13 0.13 -1.97 0.12 132.00 122.32 1cff h PRO 66 Ca 0.41 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 1cff h PRO 66 Cb 0.66 0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1cff h PRO 66 CO -0.99 -0.05 0.31 1.05 -0.23 0.00 0.00 178.00 178.09 1cff h GLU 67 N -0.61 0.67 0.00 0.86 4.11 -1.78 -1.22 114.58 116.61 1cff h GLU 67 Ca -0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.27 1cff h GLU 67 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1cff h GLU 67 CO 0.06 0.47 -0.36 0.35 0.07 0.00 0.00 179.01 179.60 1cff h PHE 68 N 0.67 0.00 -0.26 2.06 3.04 -0.99 -2.30 116.94 119.16 1cff h PHE 68 Ca 0.18 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1cff h PHE 68 Cb -0.04 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1cff h PHE 68 CO -0.03 0.36 -0.00 1.25 -2.02 0.00 0.00 178.31 177.86 1cff h LEU 69 N 0.00 0.45 0.15 0.59 5.85 0.17 -2.36 115.31 120.16 1cff h LEU 69 Ca -0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1cff h LEU 69 Cb 0.74 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1cff h LEU 69 CO 0.05 0.65 -0.07 0.71 -0.34 0.00 0.00 178.44 179.44 1cff h THR 70 N 0.23 1.01 -0.65 1.05 1.35 -1.12 -1.46 112.91 113.32 1cff h THR 70 Ca 0.07 -0.88 0.19 0.00 -0.55 0.00 0.00 66.41 65.25 1cff h THR 70 Cb 0.42 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 1cff h THR 70 CO 0.01 0.20 0.47 0.24 -0.25 0.00 0.00 175.52 176.19 1cff h MET 71 N -0.63 0.00 0.08 4.72 2.86 -1.48 0.30 114.93 120.78 1cff h MET 71 Ca -0.02 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.34 1cff h MET 71 Cb 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1cff h MET 71 CO 0.03 0.00 -1.40 1.98 1.06 0.00 0.00 176.91 178.58 1cff h MET 72 N 0.00 0.17 0.04 1.72 -1.53 -1.34 -3.40 114.93 110.60 1cff h MET 72 Ca 0.31 -0.29 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1cff h MET 72 Cb 1.25 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 32.41 1cff h MET 72 CO -0.00 1.03 -0.02 0.00 0.14 0.00 0.00 176.91 178.05 1cff h ALA 73 N 0.67 -0.08 -0.67 0.39 0.00 0.14 -3.49 119.26 116.22 1cff h ALA 73 Ca -0.18 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.09 1cff h ALA 73 Cb 1.96 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 1cff h ALA 73 CO 0.15 -0.08 -0.42 -0.98 0.00 0.00 0.00 179.25 177.92 1cff s ARG 74 N -1.58 2.22 -0.24 0.00 1.70 0.85 -5.07 118.95 116.83 1cff s ARG 74 Ca -0.01 -2.14 0.19 0.00 -0.47 0.00 0.00 55.73 53.29 1cff s ARG 74 Cb 0.00 -1.85 0.43 0.00 -0.57 0.00 0.00 34.95 32.97 1cff s ARG 74 CO 0.02 -0.42 1.25 1.63 -1.08 0.00 0.00 175.30 176.70 1cff n LYS 75 N -1.47 1.29 -3.46 3.89 5.02 -1.26 -4.12 118.16 118.06 1cff n LYS 75 Ca -0.09 -2.44 -0.33 0.00 -2.02 0.00 0.00 58.31 53.43 1cff n LYS 75 Cb 0.65 -0.64 -0.05 0.00 -0.02 0.00 0.00 35.03 34.97 1cff n LYS 75 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1cff s MET 76 N -1.87 3.81 -0.44 1.97 -1.94 -1.26 -5.05 119.30 114.52 1cff s MET 76 Ca 0.20 0.26 0.07 0.00 -1.71 0.00 0.00 55.69 54.51 1cff s MET 76 Cb 0.35 -2.77 0.24 0.00 2.01 0.00 0.00 34.83 34.65 1cff s MET 76 CO -0.08 0.40 0.70 1.17 -0.01 0.00 0.00 175.02 177.20 1cff n LYS 77 N 0.22 0.72 -0.19 2.03 3.00 -1.26 -5.13 118.16 117.54 1cff n LYS 77 Ca -0.02 -2.45 -0.04 0.00 -0.00 0.00 0.00 58.31 55.81 1cff n LYS 77 Cb 0.52 -1.37 0.03 0.00 0.00 0.00 0.00 35.03 34.21 1cff n LYS 77 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cff n ASP 78 N 1.65 -0.41 -3.53 3.14 5.75 -1.26 -5.11 116.55 116.78 1cff n ASP 78 Ca 0.15 -0.88 0.01 0.00 -0.01 0.00 0.00 54.79 54.06 1cff n ASP 78 Cb 0.58 -0.12 -0.06 0.00 -1.03 0.00 0.00 41.12 40.49 1cff n ASP 78 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1cff s THR 79 N -1.31 -0.10 -0.42 2.12 -1.32 -1.26 -5.11 115.64 108.23 1cff s THR 79 Ca 0.09 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.62 1cff s THR 79 Cb -0.00 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 1cff s THR 79 CO 0.07 0.00 0.46 -0.90 -2.21 0.00 0.00 174.62 172.04 1cff n ASP 80 N 3.86 -0.89 0.01 8.08 5.75 -1.26 -4.91 116.55 127.20 1cff n ASP 80 Ca -0.15 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.07 1cff n ASP 80 Cb 0.56 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1cff n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1cff n SER 81 N 2.48 -0.25 -4.55 -1.12 7.64 -1.26 -5.07 113.62 111.49 1cff n SER 81 Ca 0.25 0.08 -0.26 0.00 1.01 0.00 0.00 58.87 59.95 1cff n SER 81 Cb 0.51 0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 64.15 1cff n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1cff n GLU 82 N -2.38 0.68 -0.14 1.43 2.13 -1.26 -4.68 120.64 116.42 1cff n GLU 82 Ca 0.00 -0.34 -0.28 0.00 0.66 0.00 0.00 57.16 57.20 1cff n GLU 82 Cb 0.00 -3.20 -0.10 0.00 0.27 0.00 0.00 31.44 28.41 1cff n GLU 82 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1cff n GLU 83 N 8.62 0.60 -4.28 5.31 4.71 -1.26 -4.78 120.64 129.56 1cff n GLU 83 Ca 0.46 0.24 -0.26 0.00 -0.01 0.00 0.00 57.16 57.59 1cff n GLU 83 Cb 0.43 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 29.27 1cff n GLU 83 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1cff s GLU 84 N -2.51 2.11 -0.60 3.49 2.02 -1.26 -4.46 118.70 117.49 1cff s GLU 84 Ca -0.38 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1cff s GLU 84 Cb 0.14 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1cff s GLU 84 CO 0.51 0.43 0.00 -0.89 0.02 0.00 0.00 175.26 175.33 1cff n ILE 85 N -0.05 0.00 0.20 -1.63 2.08 -1.26 -4.84 119.36 113.86 1cff n ILE 85 Ca -0.10 0.00 0.08 0.00 0.56 0.00 0.00 62.75 63.29 1cff n ILE 85 Cb 0.56 -0.96 0.33 0.00 -0.75 0.00 0.00 39.64 38.82 1cff n ILE 85 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 1cff h ARG 86 N 0.22 0.00 0.11 0.38 0.11 -1.87 -0.72 114.38 112.62 1cff h ARG 86 Ca -0.11 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 1cff h ARG 86 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1cff h ARG 86 CO 0.17 0.30 -0.05 0.93 0.10 0.00 0.00 179.97 181.41 1cff h GLU 87 N 0.00 -0.14 0.00 0.08 5.08 -1.92 -2.47 114.58 115.21 1cff h GLU 87 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1cff h GLU 87 Cb 0.92 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1cff h GLU 87 CO 0.04 0.32 -0.05 0.00 -1.00 0.00 0.00 179.01 178.31 1cff h ALA 88 N -0.37 1.64 -0.77 3.43 0.00 -1.97 0.43 119.26 121.65 1cff h ALA 88 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1cff h ALA 88 Cb 0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1cff h ALA 88 CO 0.03 0.07 0.27 0.35 0.00 0.00 0.00 179.25 179.96 1cff h PHE 89 N 0.00 1.22 0.00 0.00 3.57 -1.08 0.46 116.94 121.11 1cff h PHE 89 Ca -0.00 -0.11 -0.17 0.00 3.53 0.00 0.00 57.97 61.22 1cff h PHE 89 Cb 0.11 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 1cff h PHE 89 CO 0.00 0.94 -0.92 0.00 -2.23 0.00 0.00 178.31 176.10 1cff h ARG 90 N 1.14 0.00 0.00 1.11 2.47 -0.77 -1.35 114.38 116.98 1cff h ARG 90 Ca 0.25 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.87 1cff h ARG 90 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1cff h ARG 90 CO -0.01 0.65 -0.49 0.28 0.56 0.00 0.00 179.97 180.95 1cff h VAL 91 N 0.00 1.20 0.00 2.04 2.07 -0.47 -3.17 116.25 117.92 1cff h VAL 91 Ca -0.05 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1cff h VAL 91 Cb 1.61 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1cff h VAL 91 CO 0.09 0.48 -1.46 0.49 0.02 0.00 0.00 177.57 177.19 1cff n PHE 92 N -3.74 0.00 0.67 1.57 3.01 0.16 -4.30 117.46 114.83 1cff n PHE 92 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 1cff n PHE 92 Cb 0.54 -0.25 0.47 0.00 -0.01 0.00 0.00 39.48 40.23 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1cff n ASP 93 N -1.86 0.33 0.00 4.37 2.03 -0.51 -4.68 116.55 116.23 1cff n ASP 93 Ca -0.00 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1cff n ASP 93 Cb 0.42 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cff n LYS 94 N -1.83 0.00 0.08 -0.67 4.81 -1.24 0.36 118.16 119.66 1cff n LYS 94 Ca 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.36 1cff n LYS 94 Cb 0.30 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.29 1cff n LYS 94 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1cff h ASP 95 N 0.00 -1.16 0.00 3.14 3.32 -1.94 -3.47 116.42 116.31 1cff h ASP 95 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1cff h ASP 95 Cb 0.00 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1cff h ASP 95 CO 0.00 -0.45 0.00 0.61 -1.72 0.00 0.00 179.24 177.68 1cff n GLY 96 N -1.44 0.88 1.04 2.75 0.00 0.16 -5.09 105.19 103.48 1cff n GLY 96 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1cff n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1cff n ASN 97 N 0.00 0.74 0.00 1.61 4.13 -1.26 -5.06 115.26 115.42 1cff n ASN 97 Ca 0.00 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1cff n ASN 97 Cb 0.00 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 1cff n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cff n GLY 98 N 3.33 1.15 3.65 7.41 0.00 -1.26 -5.13 105.19 114.34 1cff n GLY 98 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1cff n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cff s TYR 99 N 0.00 2.91 -0.72 1.61 2.02 -1.26 -3.99 117.35 117.92 1cff s TYR 99 Ca 0.00 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1cff s TYR 99 Cb 0.00 -1.50 0.18 0.00 -0.40 0.00 0.00 41.96 40.24 1cff s TYR 99 CO 0.00 0.46 0.55 0.42 -1.57 0.00 0.00 175.55 175.41 1cff s ILE 100 N -1.29 3.69 0.16 2.71 1.01 -0.92 -4.91 121.20 121.65 1cff s ILE 100 Ca 0.24 -3.52 -0.13 0.00 0.00 0.00 0.00 60.65 57.24 1cff s ILE 100 Cb -0.11 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.02 1cff s ILE 100 CO 0.17 -0.96 1.70 -1.28 0.00 0.00 0.00 174.94 174.57 1cff h SER 101 N 6.37 0.73 0.00 3.58 0.87 -1.93 -3.37 113.55 119.80 1cff h SER 101 Ca 0.06 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 1cff h SER 101 Cb 0.87 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1cff h SER 101 CO 0.76 0.72 0.00 0.00 -0.53 0.00 0.00 176.83 177.78 1cff n ALA 102 N -2.35 0.00 -0.18 6.23 0.00 -1.26 -4.85 120.51 118.10 1cff n ALA 102 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1cff n ALA 102 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.57 1cff n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cff h ALA 103 N 0.00 -0.33 -0.43 0.00 0.00 -1.96 0.40 119.26 116.94 1cff h ALA 103 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1cff h ALA 103 Cb 0.00 1.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1cff h ALA 103 CO 0.00 -0.53 -0.27 0.93 0.00 0.00 0.00 179.25 179.38 1cff h GLU 104 N -0.04 -0.18 -0.24 0.00 5.08 -1.91 -1.27 114.58 116.02 1cff h GLU 104 Ca 0.07 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1cff h GLU 104 Cb 0.22 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1cff h GLU 104 CO -0.43 -0.12 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.08 1cff h LEU 105 N -0.19 -0.99 -0.31 1.33 3.38 -1.43 0.51 115.31 117.60 1cff h LEU 105 Ca 0.20 0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1cff h LEU 105 Cb 0.50 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 1cff h LEU 105 CO -0.54 -0.33 -0.26 0.03 0.09 0.00 0.00 178.44 177.42 1cff h ARG 106 N -0.33 -0.10 0.30 1.13 3.08 0.92 1.27 114.38 120.66 1cff h ARG 106 Ca 0.13 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1cff h ARG 106 Cb 0.53 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1cff h ARG 106 CO -0.42 -0.06 -0.15 1.25 -1.07 0.00 0.00 179.97 179.52 1cff h HIS 107 N -0.10 -0.38 -0.69 3.04 2.76 -1.24 -2.06 115.15 116.48 1cff h HIS 107 Ca 0.05 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1cff h HIS 107 Cb 0.23 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 1cff h HIS 107 CO -0.81 -0.03 0.35 -0.39 -1.30 0.00 0.00 177.93 175.75 1cff h VAL 108 N -0.87 1.22 0.00 5.26 -1.51 0.07 -0.16 116.25 120.26 1cff h VAL 108 Ca -0.04 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1cff h VAL 108 Cb 0.52 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1cff h VAL 108 CO 0.07 0.26 0.00 -0.03 -1.23 0.00 0.00 177.57 176.64 1cff h MET 109 N 0.96 0.00 0.00 5.19 -1.53 0.15 0.29 114.93 119.99 1cff h MET 109 Ca 0.24 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 56.20 1cff h MET 109 Cb 0.09 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.09 1cff h MET 109 CO -0.03 0.00 -1.74 -2.37 0.14 0.00 0.00 176.91 172.90 1cff n THR 110 N -2.54 1.60 0.06 -0.77 5.66 -0.77 -3.69 114.28 113.83 1cff n THR 110 Ca 0.04 -0.80 0.03 0.00 -3.05 0.00 0.00 64.05 60.28 1cff n THR 110 Cb 0.43 -1.02 -0.05 0.00 -1.55 0.00 0.00 70.33 68.13 1cff n THR 110 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 175.07 170.89 1cff h ASN 111 N 0.00 0.00 0.33 1.09 -1.24 -1.01 -3.34 115.58 111.42 1cff h ASN 111 Ca -0.30 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.68 1cff h ASN 111 Cb 2.03 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.07 1cff h ASN 111 CO 0.08 0.42 -0.12 0.25 -1.29 0.00 0.00 177.43 176.77 1cff h LEU 112 N 0.00 0.00 0.00 0.34 5.85 -0.55 -3.46 115.31 117.49 1cff h LEU 112 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1cff h LEU 112 Cb 1.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1cff h LEU 112 CO 0.04 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.87 1cff n GLY 113 N -0.75 -1.06 0.00 3.75 0.00 -1.25 -5.07 105.19 100.81 1cff n GLY 113 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1cff n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1cff n GLU 114 N 0.00 1.73 -3.44 1.61 0.00 -1.24 -5.01 120.64 114.29 1cff n GLU 114 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 1cff n GLU 114 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.33 1cff n GLU 114 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1cff s LYS 115 N 0.68 0.83 -0.68 3.44 2.20 -1.26 -4.00 119.74 120.93 1cff s LYS 115 Ca 0.00 -1.84 -0.27 0.00 -0.36 0.00 0.00 55.97 53.50 1cff s LYS 115 Cb 0.00 -1.46 0.01 0.00 -1.51 0.00 0.00 37.83 34.87 1cff s LYS 115 CO 0.00 -1.31 1.53 -0.51 -0.36 0.00 0.00 175.35 174.70 1cff s LEU 116 N 0.41 3.22 1.11 5.43 2.01 -1.26 -4.99 118.68 124.61 1cff s LEU 116 Ca 0.26 -0.11 -0.18 0.00 0.01 0.00 0.00 54.13 54.12 1cff s LEU 116 Cb -0.08 -2.55 0.11 0.00 0.01 0.00 0.00 46.19 43.69 1cff s LEU 116 CO -0.11 -2.07 0.12 0.35 1.01 0.00 0.00 176.35 175.65 1cff n THR 117 N 6.74 0.00 0.30 5.49 -2.24 -1.26 -4.28 114.28 119.04 1cff n THR 117 Ca 0.11 -0.30 0.19 0.00 -2.27 0.00 0.00 64.05 61.78 1cff n THR 117 Cb 0.50 -0.63 1.00 0.00 -2.10 0.00 0.00 70.33 69.10 1cff n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1cff h ASP 118 N -2.06 0.00 0.04 3.42 3.58 -1.99 -1.20 116.42 118.21 1cff h ASP 118 Ca -0.53 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.92 1cff h ASP 118 Cb 1.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.40 1cff h ASP 118 CO 0.39 0.00 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.40 1cff h GLU 119 N 0.00 -0.05 0.67 0.28 4.39 -1.99 -2.76 114.58 115.12 1cff h GLU 119 Ca 0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1cff h GLU 119 Cb 0.30 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1cff h GLU 119 CO -0.00 0.62 -0.32 0.93 -1.16 0.00 0.00 179.01 179.08 1cff h GLU 120 N -0.84 -0.86 -0.96 2.33 4.39 -1.64 -0.85 114.58 116.14 1cff h GLU 120 Ca -0.01 0.06 0.19 0.00 0.34 0.00 0.00 59.36 59.94 1cff h GLU 120 Cb 0.69 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.43 1cff h GLU 120 CO 0.01 -0.55 0.56 -0.24 -1.16 0.00 0.00 179.01 177.63 1cff h VAL 121 N -0.98 0.69 0.35 3.13 3.04 -1.41 1.20 116.25 122.26 1cff h VAL 121 Ca -0.09 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 1cff h VAL 121 Cb 0.71 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 1cff h VAL 121 CO 0.15 0.13 -0.17 -0.78 -1.01 0.00 0.00 177.57 175.89 1cff h ASP 122 N 0.70 -0.40 -0.12 3.17 1.82 -1.33 -2.86 116.42 117.41 1cff h ASP 122 Ca 0.56 -0.15 -0.04 0.00 -0.39 0.00 0.00 57.03 57.00 1cff h ASP 122 Cb 0.87 0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.98 1cff h ASP 122 CO -0.39 -0.02 -0.08 -0.33 -1.61 0.00 0.00 179.24 176.81 1cff h GLU 123 N -0.83 0.26 -0.76 0.28 4.39 -0.65 -1.97 114.58 115.29 1cff h GLU 123 Ca -0.05 -0.12 0.17 0.00 0.34 0.00 0.00 59.36 59.70 1cff h GLU 123 Cb 0.53 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.06 1cff h GLU 123 CO 0.08 0.63 0.16 0.00 -1.16 0.00 0.00 179.01 178.72 1cff h MET 124 N -0.11 0.23 0.00 2.33 -0.00 0.13 0.89 114.93 118.40 1cff h MET 124 Ca 0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.68 1cff h MET 124 Cb 0.56 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1cff h MET 124 CO 0.02 0.15 -0.12 0.82 -0.00 0.00 0.00 176.91 177.78 1cff h ILE 125 N 0.24 0.25 -0.07 -0.10 1.08 -1.49 0.84 117.51 118.25 1cff h ILE 125 Ca 0.43 -1.03 -0.20 0.00 -0.39 0.00 0.00 64.86 63.68 1cff h ILE 125 Cb 0.76 1.84 0.01 0.00 -3.07 0.00 0.00 36.82 36.36 1cff h ILE 125 CO -0.55 0.12 -0.72 0.03 -0.69 0.00 0.00 178.15 176.34 1cff h ARG 126 N 0.00 0.62 0.03 2.37 3.08 0.13 0.62 114.38 121.22 1cff h ARG 126 Ca -0.00 -0.57 -0.26 0.00 0.07 0.00 0.00 59.98 59.22 1cff h ARG 126 Cb 0.83 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 1cff h ARG 126 CO 0.02 1.18 -1.38 0.93 -1.07 0.00 0.00 179.97 179.65 1cff h GLU 127 N 0.25 0.05 -0.22 0.04 5.08 0.02 -3.30 114.58 116.51 1cff h GLU 127 Ca -0.07 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1cff h GLU 127 Cb 1.37 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1cff h GLU 127 CO 0.15 0.84 -0.46 0.00 -1.00 0.00 0.00 179.01 178.53 1cff h ALA 128 N 0.89 0.78 -0.16 3.43 0.00 0.66 -3.39 119.26 121.46 1cff h ALA 128 Ca -0.16 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1cff h ALA 128 Cb 1.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1cff h ALA 128 CO 0.12 0.66 0.03 -3.47 0.00 0.00 0.00 179.25 176.59 1cff n ASP 129 N -4.00 1.42 -0.22 0.00 -0.08 0.21 -4.77 116.55 109.10 1cff n ASP 129 Ca -0.02 -2.15 -0.11 0.00 -1.51 0.00 0.00 54.79 51.00 1cff n ASP 129 Cb 0.55 -1.69 -0.09 0.00 2.34 0.00 0.00 41.12 42.23 1cff n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1cff h ILE 130 N 7.03 0.00 -0.75 5.18 5.03 -1.88 -0.01 117.51 132.11 1cff h ILE 130 Ca 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1cff h ILE 130 Cb 1.00 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.75 1cff h ILE 130 CO 1.00 0.00 0.49 0.44 -0.68 0.00 0.00 178.15 179.40 1cff h ASP 131 N -0.21 0.83 -4.61 1.72 3.32 -1.91 -3.47 116.42 112.10 1cff h ASP 131 Ca 0.09 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.88 1cff h ASP 131 Cb 0.46 -0.20 0.12 0.00 0.22 0.00 0.00 39.33 39.93 1cff h ASP 131 CO -0.64 0.59 -0.55 0.61 -1.72 0.00 0.00 179.24 177.54 1cff n GLY 132 N -1.30 -0.13 0.10 2.75 0.00 -0.02 -4.93 105.19 101.65 1cff n GLY 132 Ca 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1cff n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cff h ASP 133 N -1.44 0.00 0.00 1.61 5.19 -1.91 -3.47 116.42 116.41 1cff h ASP 133 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1cff h ASP 133 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1cff h ASP 133 CO 0.36 0.39 0.00 0.61 -3.12 0.00 0.00 179.24 177.49 1cff n GLY 134 N 1.32 0.63 3.36 2.75 0.00 -1.26 -5.07 105.19 106.92 1cff n GLY 134 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1cff n GLY 134 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cff n GLN 135 N 0.00 0.57 -3.75 1.61 7.27 -1.26 -4.96 117.38 116.87 1cff n GLN 135 Ca 0.00 -3.12 -0.38 0.00 0.07 0.00 0.00 57.00 53.58 1cff n GLN 135 Cb 0.00 2.77 -0.12 0.00 2.41 0.00 0.00 30.24 35.31 1cff n GLN 135 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1cff s VAL 136 N -3.09 3.65 -0.13 1.69 1.01 -1.26 -4.60 120.40 117.67 1cff s VAL 136 Ca 0.35 -1.44 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1cff s VAL 136 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1cff s VAL 136 CO 0.25 -0.36 0.54 0.21 0.00 0.00 0.00 175.10 175.74 1cff s ASN 137 N 1.65 6.72 0.38 3.32 3.84 -1.26 -2.16 114.94 127.43 1cff s ASN 137 Ca 0.01 0.86 0.27 0.00 0.21 0.00 0.00 52.86 54.21 1cff s ASN 137 Cb -0.21 -2.32 1.28 0.00 -0.55 0.00 0.00 41.25 39.46 1cff s ASN 137 CO 0.00 -0.08 1.36 0.00 -2.79 0.00 0.00 177.10 175.60 1cff n TYR 138 N 4.01 0.67 -0.33 0.43 9.36 -1.26 0.78 117.16 130.82 1cff n TYR 138 Ca -0.05 0.67 0.19 0.00 3.32 0.00 0.00 57.90 62.03 1cff n TYR 138 Cb 0.51 -1.09 0.40 0.00 -0.63 0.00 0.00 39.34 38.53 1cff n TYR 138 CO 0.00 0.00 0.00 1.05 0.22 0.00 0.00 176.86 178.13 1cff h GLU 139 N 0.00 0.41 0.03 2.98 -0.00 -1.93 0.41 114.58 116.49 1cff h GLU 139 Ca 0.76 -0.02 -0.28 0.00 -0.00 0.00 0.00 59.36 59.82 1cff h GLU 139 Cb 2.40 -0.09 -0.03 0.00 -0.00 0.00 0.00 28.75 31.03 1cff h GLU 139 CO -0.44 0.27 -1.51 1.05 -0.00 0.00 0.00 179.01 178.38 1cff h GLU 140 N 0.43 0.07 -0.82 1.06 4.11 -0.03 -2.56 114.58 116.84 1cff h GLU 140 Ca 0.66 -0.12 0.14 0.00 0.07 0.00 0.00 59.36 60.11 1cff h GLU 140 Cb 1.37 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.57 1cff h GLU 140 CO -0.55 0.80 0.41 0.35 0.07 0.00 0.00 179.01 180.08 1cff h PHE 141 N 0.02 0.71 0.08 2.06 3.57 0.06 0.18 116.94 123.62 1cff h PHE 141 Ca -0.22 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.10 1cff h PHE 141 Cb 1.95 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 1cff h PHE 141 CO 0.02 0.17 -1.13 -0.39 -2.23 0.00 0.00 178.31 174.74 1cff h VAL 142 N 0.59 1.15 -0.46 1.41 -1.51 -1.03 -2.82 116.25 113.58 1cff h VAL 142 Ca 0.44 -2.36 0.13 0.00 -1.23 0.00 0.00 66.70 63.69 1cff h VAL 142 Cb 0.62 2.75 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 1cff h VAL 142 CO -0.36 0.61 0.39 1.56 -1.23 0.00 0.00 177.57 178.55 1cff h GLN 143 N -0.55 0.00 0.14 5.19 4.20 -1.17 1.48 115.11 124.40 1cff h GLN 143 Ca -0.26 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.09 1cff h GLN 143 Cb 1.55 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.32 1cff h GLN 143 CO 0.00 0.00 -1.93 1.98 -0.67 0.00 0.00 178.83 178.21 1cff h MET 144 N 0.00 0.29 0.00 1.46 4.05 -0.76 -3.31 114.93 116.67 1cff h MET 144 Ca 0.22 -0.49 -0.03 0.00 -0.28 0.00 0.00 59.70 59.12 1cff h MET 144 Cb 1.00 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1cff h MET 144 CO -0.00 1.22 -0.59 1.98 0.23 0.00 0.00 176.91 179.75 1cff h MET 145 N 0.08 0.00 0.27 0.39 1.85 -1.02 -3.44 114.93 113.06 1cff h MET 145 Ca -0.40 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.68 1cff h MET 145 Cb 2.05 0.00 0.00 0.00 0.43 0.00 0.00 31.60 34.08 1cff h MET 145 CO 0.11 0.11 -0.13 1.79 -0.40 0.00 0.00 176.91 178.40 1cff h THR 146 N -1.00 0.00 -3.87 -0.77 1.35 0.17 -3.45 112.91 105.34 1cff h THR 146 Ca -0.04 -0.23 -0.52 0.00 -0.55 0.00 0.00 66.41 65.07 1cff h THR 146 Cb 0.59 0.00 0.07 0.00 -1.73 0.00 0.00 68.15 67.08 1cff h THR 146 CO -0.02 0.00 0.65 0.00 -0.25 0.00 0.00 175.52 175.89 1cff s ALA 147 N -3.68 3.50 -1.97 6.62 0.00 0.26 -4.98 121.76 121.51 1cff s ALA 147 Ca -0.05 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1cff s ALA 147 Cb 0.01 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1cff s ALA 147 CO 0.16 -0.67 0.49 1.63 0.00 0.00 0.00 175.76 177.37