#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 0.62 -0.46 0.00 9.92 -1.26 -5.09 116.55 120.28 1cff n ASP 2 Ca 0.00 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1cff n ASP 2 Cb 0.00 0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1cff n ASP 2 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1cff n GLN 3 N -2.85 -1.26 -2.40 -1.24 7.27 -1.26 -5.01 117.38 110.63 1cff n GLN 3 Ca -0.16 0.96 -0.01 0.00 0.07 0.00 0.00 57.00 57.86 1cff n GLN 3 Cb 0.93 -1.13 -0.01 0.00 2.41 0.00 0.00 30.24 32.45 1cff n GLN 3 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1cff n LEU 4 N -1.34 -4.29 -4.76 1.69 7.94 -1.26 -4.83 117.00 110.15 1cff n LEU 4 Ca 0.00 1.95 -0.41 0.00 -1.11 0.00 0.00 56.01 56.44 1cff n LEU 4 Cb 0.06 -2.50 -0.01 0.00 0.53 0.00 0.00 43.42 41.49 1cff n LEU 4 CO 0.00 -2.71 1.12 0.42 -1.11 0.00 0.00 177.39 175.11 1cff s THR 5 N -0.35 2.31 -0.69 1.96 -4.23 -1.26 -4.90 115.64 108.48 1cff s THR 5 Ca -0.05 0.29 0.24 0.00 -1.18 0.00 0.00 61.69 60.99 1cff s THR 5 Cb 0.00 -3.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.61 1cff s THR 5 CO 0.14 0.06 1.18 -0.62 -0.54 0.00 0.00 174.62 174.84 1cff n GLU 6 N 1.24 0.23 0.11 3.99 1.02 -1.26 -3.69 120.64 122.28 1cff n GLU 6 Ca 0.03 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1cff n GLU 6 Cb 0.40 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1cff n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1cff h GLU 7 N 0.00 -0.31 -0.02 3.49 4.81 -1.98 -1.76 114.58 118.81 1cff h GLU 7 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1cff h GLU 7 Cb 0.69 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 1cff h GLU 7 CO 0.00 -0.21 -0.03 1.96 -0.73 0.00 0.00 179.01 180.00 1cff h GLN 8 N -0.55 0.06 -0.94 1.92 4.20 -2.00 -3.00 115.11 114.80 1cff h GLN 8 Ca -0.03 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.85 1cff h GLN 8 Cb 0.25 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.95 1cff h GLN 8 CO 0.05 0.58 0.61 0.97 -0.67 0.00 0.00 178.83 180.38 1cff h ILE 9 N -0.46 0.67 -0.96 2.54 -0.00 -1.74 0.51 117.51 118.07 1cff h ILE 9 Ca 0.00 -0.16 0.19 0.00 -0.00 0.00 0.00 64.86 64.89 1cff h ILE 9 Cb 0.57 0.16 -0.11 0.00 -0.00 0.00 0.00 36.82 37.44 1cff h ILE 9 CO 0.01 0.09 0.55 0.00 -0.00 0.00 0.00 178.15 178.80 1cff h ALA 10 N 1.61 1.57 -0.87 0.18 0.00 -1.16 1.28 119.26 121.87 1cff h ALA 10 Ca 0.50 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.58 1cff h ALA 10 Cb 1.17 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 1cff h ALA 10 CO -0.22 -0.10 0.53 0.93 0.00 0.00 0.00 179.25 180.39 1cff h GLU 11 N 0.69 0.93 -0.63 0.00 5.08 -0.02 1.02 114.58 121.64 1cff h GLU 11 Ca 0.56 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.95 1cff h GLU 11 Cb 0.89 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1cff h GLU 11 CO -0.40 0.61 0.42 0.35 -1.00 0.00 0.00 179.01 178.99 1cff h PHE 12 N 0.96 0.51 -0.59 4.33 3.57 0.17 0.16 116.94 126.05 1cff h PHE 12 Ca 0.39 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.82 1cff h PHE 12 Cb 0.22 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1cff h PHE 12 CO -0.03 0.25 0.04 -0.22 -2.23 0.00 0.00 178.31 176.11 1cff h LYS 13 N 0.49 1.02 -0.77 1.11 3.11 0.25 0.21 116.57 121.99 1cff h LYS 13 Ca 0.29 -0.30 0.20 0.00 -2.81 0.00 0.00 60.65 58.02 1cff h LYS 13 Cb 0.48 -0.10 -0.04 0.00 -1.00 0.00 0.00 32.23 31.57 1cff h LYS 13 CO -0.09 0.99 0.53 0.93 -2.81 0.00 0.00 179.45 179.00 1cff h GLU 14 N 0.91 0.14 0.00 1.90 5.08 0.16 1.32 114.58 124.10 1cff h GLU 14 Ca 0.17 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1cff h GLU 14 Cb 0.50 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1cff h GLU 14 CO 0.02 0.09 -0.24 0.00 -1.00 0.00 0.00 179.01 177.89 1cff h ALA 15 N 1.63 0.03 -0.14 3.43 0.00 -1.13 -2.78 119.26 120.31 1cff h ALA 15 Ca 0.37 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1cff h ALA 15 Cb 1.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1cff h ALA 15 CO -0.06 0.18 0.55 0.35 0.00 0.00 0.00 179.25 180.27 1cff h PHE 16 N -1.00 0.00 0.16 0.00 3.57 0.58 2.88 116.94 123.13 1cff h PHE 16 Ca -0.04 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.11 1cff h PHE 16 Cb 0.48 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1cff h PHE 16 CO 0.03 0.00 -1.80 0.77 -2.23 0.00 0.00 178.31 175.09 1cff h SER 17 N 0.00 0.52 0.10 0.41 0.02 0.16 -3.03 113.55 111.73 1cff h SER 17 Ca 0.07 -0.86 -0.25 0.00 -0.84 0.00 0.00 61.79 59.90 1cff h SER 17 Cb 1.16 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.55 1cff h SER 17 CO -0.00 1.74 -0.98 -0.07 -1.14 0.00 0.00 176.83 176.38 1cff h LEU 18 N 0.09 0.79 -2.20 5.07 4.07 0.49 -2.83 115.31 120.80 1cff h LEU 18 Ca -0.35 -0.62 0.05 0.00 0.08 0.00 0.00 57.88 57.04 1cff h LEU 18 Cb 2.07 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 43.57 1cff h LEU 18 CO 0.15 1.41 0.15 0.15 -1.08 0.00 0.00 178.44 179.22 1cff h PHE 19 N 0.35 0.00 0.00 1.13 3.04 0.47 0.60 116.94 122.53 1cff h PHE 19 Ca -0.10 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1cff h PHE 19 Cb 1.62 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.13 1cff h PHE 19 CO 0.09 0.00 0.00 0.22 -2.02 0.00 0.00 178.31 176.60 1cff h ASP 20 N 0.00 0.00 -6.54 0.41 1.82 -1.37 -3.42 116.42 107.32 1cff h ASP 20 Ca 0.08 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.21 1cff h ASP 20 Cb 0.37 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.33 1cff h ASP 20 CO -0.00 0.00 -0.91 1.17 -1.61 0.00 0.00 179.24 177.89 1cff n LYS 21 N -3.02 -2.67 0.00 0.28 4.81 0.21 -4.53 118.16 113.25 1cff n LYS 21 Ca 0.03 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1cff n LYS 21 Cb 0.42 -4.29 0.00 0.00 0.02 0.00 0.00 35.03 31.18 1cff n LYS 21 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1cff n ASP 22 N -2.90 0.00 -0.87 3.14 5.75 -1.26 -4.98 116.55 115.43 1cff n ASP 22 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 1cff n ASP 22 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 0.00 0.48 0.01 6.12 0.00 -1.25 -5.00 105.19 105.55 1cff n GLY 23 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.87 1.72 -0.03 1.61 2.03 -1.26 -5.00 116.55 114.75 1cff n ASP 24 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cff n ASP 24 Cb 0.42 1.57 -0.00 0.00 -0.72 0.00 0.00 41.12 42.39 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 1.74 0.39 3.49 0.27 0.00 -1.26 -5.02 105.19 104.79 1cff n GLY 25 Ca -0.05 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.02 -0.44 -0.54 2.61 -4.23 -1.26 -4.45 115.64 105.31 1cff s THR 26 Ca 0.00 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.36 1cff s THR 26 Cb 0.00 -0.85 0.07 0.00 1.34 0.00 0.00 72.50 73.06 1cff s THR 26 CO 0.00 0.02 0.72 -0.63 -0.54 0.00 0.00 174.62 174.20 1cff s ILE 27 N 2.18 4.73 0.47 2.99 -1.09 -0.95 -4.85 121.20 124.68 1cff s ILE 27 Ca -0.07 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 57.97 1cff s ILE 27 Cb -0.09 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.38 1cff s ILE 27 CO -0.17 -0.98 0.41 -0.89 -1.23 0.00 0.00 174.94 172.09 1cff s THR 28 N 2.99 2.29 0.61 2.92 2.01 -1.26 -1.88 115.64 123.32 1cff s THR 28 Ca 0.17 -1.38 0.41 0.00 0.31 0.00 0.00 61.69 61.20 1cff s THR 28 Cb -0.19 -2.67 0.41 0.00 0.01 0.00 0.00 72.50 70.06 1cff s THR 28 CO 0.12 0.00 2.24 0.71 -0.69 0.00 0.00 174.62 177.00 1cff h THR 29 N 0.89 0.00 0.38 -0.82 1.35 -1.95 -0.43 112.91 112.33 1cff h THR 29 Ca -0.39 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 1cff h THR 29 Cb 1.28 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1cff h THR 29 CO 0.57 0.00 -0.18 0.50 -0.25 0.00 0.00 175.52 176.15 1cff h LYS 30 N 0.00 -0.49 -0.06 4.72 3.64 -1.97 0.29 116.57 122.70 1cff h LYS 30 Ca 0.00 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1cff h LYS 30 Cb 0.13 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1cff h LYS 30 CO 0.00 -0.33 -0.25 1.05 -2.27 0.00 0.00 179.45 177.66 1cff h GLU 31 N -0.57 0.28 0.00 1.90 9.09 -1.78 -2.72 114.58 120.77 1cff h GLU 31 Ca -0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 59.36 59.13 1cff h GLU 31 Cb 0.39 0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1cff h GLU 31 CO 0.08 0.85 -0.08 1.25 0.05 0.00 0.00 179.01 181.16 1cff h LEU 32 N -0.24 0.00 -0.22 3.06 6.46 -1.21 -2.12 115.31 121.04 1cff h LEU 32 Ca -0.01 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.53 1cff h LEU 32 Cb 0.89 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1cff h LEU 32 CO 0.05 0.08 -0.80 1.23 -0.62 0.00 0.00 178.44 178.38 1cff h GLY 33 N 0.41 0.72 1.03 3.75 0.00 -0.35 -0.78 103.07 107.84 1cff h GLY 33 Ca -0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.27 1cff h GLY 33 CO 0.01 0.93 0.53 0.00 0.00 0.00 0.00 176.54 178.02 1cff h THR 34 N 0.43 1.26 0.00 4.70 1.03 -1.06 0.89 112.91 120.16 1cff h THR 34 Ca -0.06 -0.61 -0.10 0.00 -0.01 0.00 0.00 66.41 65.63 1cff h THR 34 Cb 1.42 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 68.46 1cff h THR 34 CO 0.15 0.28 -0.48 1.62 -0.01 0.00 0.00 175.52 177.09 1cff h VAL 35 N 1.29 0.83 0.00 0.00 3.04 -1.52 -1.99 116.25 117.91 1cff h VAL 35 Ca 0.33 -2.18 0.00 0.00 -1.01 0.00 0.00 66.70 63.84 1cff h VAL 35 Cb -0.01 2.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1cff h VAL 35 CO -0.06 0.47 -0.11 0.23 -1.01 0.00 0.00 177.57 177.10 1cff n MET 36 N -3.22 0.17 -0.04 4.17 2.81 -0.30 -2.22 117.12 118.48 1cff n MET 36 Ca 0.02 0.12 -0.01 0.00 -1.81 0.00 0.00 57.70 56.02 1cff n MET 36 Cb 0.73 -1.68 -0.10 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.98 1.35 0.07 0.03 0.63 0.24 0.46 116.66 117.46 1cff n ARG 37 Ca 0.06 -0.05 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 1cff n ARG 37 Cb 0.40 -1.33 0.04 0.00 0.45 0.00 0.00 32.46 32.02 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 -2.29 0.72 0.06 6.15 7.64 -0.75 -3.25 113.62 121.89 1cff n SER 38 Ca -0.14 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cff n SER 38 Cb 0.71 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 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 -2.35 0.83 0.26 -3.43 4.32 -0.94 -4.73 117.00 110.96 1cff n LEU 39 Ca 0.01 0.18 0.14 0.00 -0.02 0.00 0.00 56.01 56.32 1cff n LEU 39 Cb 0.50 -0.20 0.65 0.00 -1.62 0.00 0.00 43.42 42.74 1cff n LEU 39 CO 0.39 -0.74 0.93 1.23 -1.22 0.00 0.00 177.39 177.98 1cff h GLY 40 N 0.00 0.00 -4.53 -0.72 0.00 -1.47 -3.47 103.07 92.89 1cff h GLY 40 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1cff h GLY 40 CO 0.00 0.00 -0.04 0.61 0.00 0.00 0.00 176.54 177.11 1cff n GLN 41 N -3.34 -0.06 0.04 4.80 10.64 0.17 -4.44 117.38 125.20 1cff n GLN 41 Ca -0.00 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.20 1cff n GLN 41 Cb 0.32 -0.08 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 1cff n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1cff n ASN 42 N 0.49 -0.74 -3.61 2.61 4.05 -1.21 -4.99 115.26 111.85 1cff n ASN 42 Ca -0.01 0.54 -0.52 0.00 0.45 0.00 0.00 54.58 55.05 1cff n ASN 42 Cb 0.03 1.07 -0.08 0.00 1.23 0.00 0.00 39.78 42.03 1cff n ASN 42 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1cff n PRO 43 N -2.99 0.00 -1.29 1.20 -0.02 -1.26 -4.89 135.00 125.74 1cff n PRO 43 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1cff n PRO 43 Cb 0.00 -1.17 0.12 0.00 -0.02 0.00 0.00 33.50 32.43 1cff n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1cff s THR 44 N 2.85 2.90 0.42 3.45 -4.23 -1.26 -4.73 115.64 115.05 1cff s THR 44 Ca 0.84 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 61.78 1cff s THR 44 Cb -1.17 -2.83 0.34 0.00 1.34 0.00 0.00 72.50 70.17 1cff s THR 44 CO 0.61 -0.38 1.95 -0.33 -0.54 0.00 0.00 174.62 175.93 1cff h GLU 45 N -1.36 0.43 0.00 3.99 5.08 -2.01 -0.32 114.58 120.39 1cff h GLU 45 Ca -0.48 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 57.73 1cff h GLU 45 Cb 1.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1cff h GLU 45 CO 0.55 0.28 -1.18 0.00 -1.00 0.00 0.00 179.01 177.67 1cff h ALA 46 N 1.66 0.63 0.57 3.43 0.00 -1.99 -3.31 119.26 120.26 1cff h ALA 46 Ca 0.33 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1cff h ALA 46 Cb 0.67 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1cff h ALA 46 CO -0.10 0.68 -0.28 1.49 0.00 0.00 0.00 179.25 181.04 1cff h GLU 47 N 0.00 -0.74 -0.47 0.00 4.81 -1.42 -1.61 114.58 115.14 1cff h GLU 47 Ca -0.11 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1cff h GLU 47 Cb 1.43 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 1cff h GLU 47 CO 0.04 -0.48 0.38 1.37 -0.73 0.00 0.00 179.01 179.59 1cff h LEU 48 N -1.18 0.00 -0.88 1.64 -0.00 -1.55 1.44 115.31 114.78 1cff h LEU 48 Ca -0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.74 1cff h LEU 48 Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1cff h LEU 48 CO 0.13 0.00 0.09 -0.61 -0.00 0.00 0.00 178.44 178.05 1cff h GLN 49 N 0.00 0.92 -0.12 0.17 4.15 -1.61 1.35 115.11 119.97 1cff h GLN 49 Ca 0.22 -0.22 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1cff h GLN 49 Cb 0.99 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1cff h GLN 49 CO -0.00 0.85 -0.46 0.22 -1.93 0.00 0.00 178.83 177.51 1cff h ASP 50 N 0.87 0.33 -0.28 -0.69 3.58 0.28 0.27 116.42 120.78 1cff h ASP 50 Ca 0.18 -0.15 -0.18 0.00 0.42 0.00 0.00 57.03 57.29 1cff h ASP 50 Cb 0.38 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.34 1cff h ASP 50 CO 0.01 0.75 -0.52 -0.03 -2.88 0.00 0.00 179.24 176.56 1cff h MET 51 N 0.25 0.87 -0.18 0.28 4.05 0.67 -0.21 114.93 120.68 1cff h MET 51 Ca 0.02 -0.54 -0.05 0.00 -0.28 0.00 0.00 59.70 58.85 1cff h MET 51 Cb 0.92 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1cff h MET 51 CO 0.08 1.18 -0.08 0.82 0.23 0.00 0.00 176.91 179.13 1cff h ILE 52 N 0.68 1.31 0.00 1.77 1.08 0.20 -2.82 117.51 119.72 1cff h ILE 52 Ca 0.02 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1cff h ILE 52 Cb 1.13 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1cff h ILE 52 CO 0.12 0.34 0.00 0.78 -0.69 0.00 0.00 178.15 178.69 1cff h ASN 53 N 0.05 0.00 -0.19 1.72 4.21 -0.47 -2.91 115.58 117.99 1cff h ASN 53 Ca 0.04 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.48 1cff h ASN 53 Cb 0.56 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.74 1cff h ASN 53 CO 0.03 0.00 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.00 1cff h GLU 54 N 0.00 0.54 -0.72 0.81 4.22 -0.76 -2.62 114.58 116.06 1cff h GLU 54 Ca 0.00 -0.15 -0.37 0.00 0.08 0.00 0.00 59.36 58.92 1cff h GLU 54 Cb 0.47 -0.06 -0.22 0.00 0.50 0.00 0.00 28.75 29.44 1cff h GLU 54 CO 0.00 0.63 0.33 1.55 -2.18 0.00 0.00 179.01 179.34 1cff n VAL 55 N -4.22 2.93 -1.79 0.32 3.14 -1.10 -4.77 118.33 112.83 1cff n VAL 55 Ca 0.01 -2.28 -0.39 0.00 -2.96 0.00 0.00 64.34 58.72 1cff n VAL 55 Cb 0.30 -0.40 -0.01 0.00 -1.06 0.00 0.00 33.84 32.67 1cff n VAL 55 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1cff n ASP 56 N -1.12 8.17 -0.27 6.55 9.92 -0.99 -4.64 116.55 134.18 1cff n ASP 56 Ca 0.48 -2.99 0.08 0.00 -0.53 0.00 0.00 54.79 51.83 1cff n ASP 56 Cb 1.40 -1.41 0.22 0.00 -0.64 0.00 0.00 41.12 40.69 1cff n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cff h ALA 57 N 4.64 1.13 0.00 2.24 0.00 -1.87 0.13 119.26 125.52 1cff h ALA 57 Ca 0.74 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.79 1cff h ALA 57 Cb 0.32 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1cff h ALA 57 CO 1.53 -0.30 -1.47 -0.40 0.00 0.00 0.00 179.25 178.60 1cff n ASP 58 N -5.08 0.47 -3.93 0.00 5.75 -1.26 -5.00 116.55 107.50 1cff n ASP 58 Ca 0.17 0.18 -0.36 0.00 -0.01 0.00 0.00 54.79 54.76 1cff n ASP 58 Cb 0.50 1.12 0.01 0.00 -1.03 0.00 0.00 41.12 41.73 1cff n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cff n GLY 59 N 1.23 -0.73 0.07 6.12 0.00 0.45 -4.87 105.19 107.45 1cff n GLY 59 Ca -0.03 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.54 0.67 0.00 1.61 6.94 -1.26 -4.98 115.26 115.70 1cff n ASN 60 Ca -0.15 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 1cff n ASN 60 Cb 0.60 0.64 0.00 0.00 -2.36 0.00 0.00 39.78 38.66 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 1.28 2.73 0.00 4.83 0.00 -1.26 -5.13 105.19 107.64 1cff n GLY 61 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.00 -3.15 2.61 -2.24 -1.26 -4.95 114.28 105.29 1cff n THR 62 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1cff n THR 62 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.37 4.65 0.04 2.28 -1.09 -0.79 -4.89 121.20 120.03 1cff s ILE 63 Ca 0.00 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 1cff s ILE 63 Cb 0.00 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1cff s ILE 63 CO 0.00 0.04 -0.04 1.51 -1.23 0.00 0.00 174.94 175.22 1cff s ASP 64 N -1.93 0.49 0.30 3.58 1.47 -1.26 -2.24 116.67 117.08 1cff s ASP 64 Ca 0.47 -0.70 0.10 0.00 1.18 0.00 0.00 52.55 53.60 1cff s ASP 64 Cb -0.14 0.12 0.92 0.00 -0.34 0.00 0.00 42.92 43.48 1cff s ASP 64 CO 0.19 -0.39 1.39 0.33 0.68 0.00 0.00 175.17 177.38 1cff n PHE 65 N 0.99 0.79 0.17 2.11 7.35 -1.26 -1.11 117.46 126.49 1cff n PHE 65 Ca -0.20 1.06 -0.07 0.00 -0.76 0.00 0.00 57.45 57.48 1cff n PHE 65 Cb 0.57 -1.30 -0.03 0.00 0.35 0.00 0.00 39.48 39.07 1cff n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1cff h PRO 66 N 0.00 -0.45 -0.62 -7.13 0.11 -1.98 -1.78 132.00 120.15 1cff h PRO 66 Ca 0.64 0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.84 1cff h PRO 66 Cb 1.52 0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.68 1cff h PRO 66 CO -0.76 -0.30 0.33 1.05 -0.21 0.00 0.00 178.00 178.11 1cff h GLU 67 N -0.82 0.60 -0.46 1.05 4.11 -1.76 -0.82 114.58 116.47 1cff h GLU 67 Ca -0.05 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.25 1cff h GLU 67 Cb 0.36 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1cff h GLU 67 CO 0.08 0.40 -0.09 0.35 0.07 0.00 0.00 179.01 179.81 1cff h PHE 68 N 0.62 0.91 0.35 2.06 3.57 -1.25 -2.90 116.94 120.30 1cff h PHE 68 Ca 0.28 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1cff h PHE 68 Cb 0.19 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1cff h PHE 68 CO -0.09 0.88 -0.17 1.25 -2.23 0.00 0.00 178.31 177.95 1cff h LEU 69 N 0.75 -0.40 -0.93 0.59 5.85 -0.56 -2.90 115.31 117.71 1cff h LEU 69 Ca 0.13 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.13 1cff h LEU 69 Cb 0.59 0.10 -0.16 0.00 0.37 0.00 0.00 40.66 41.56 1cff h LEU 69 CO 0.04 -0.27 0.23 0.71 -0.34 0.00 0.00 178.44 178.81 1cff h THR 70 N -0.50 0.20 0.30 1.05 1.35 -1.24 1.15 112.91 115.21 1cff h THR 70 Ca -0.05 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1cff h THR 70 Cb 0.36 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 66.80 1cff h THR 70 CO 0.08 0.02 -0.44 -0.03 -0.25 0.00 0.00 175.52 174.90 1cff h MET 71 N 0.14 -0.74 0.00 4.72 1.85 -1.48 0.56 114.93 119.97 1cff h MET 71 Ca 0.61 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.75 1cff h MET 71 Cb 1.30 0.17 0.00 0.00 0.43 0.00 0.00 31.60 33.50 1cff h MET 71 CO -0.74 -0.50 0.00 0.52 -0.40 0.00 0.00 176.91 175.80 1cff h MET 72 N -0.77 0.00 0.11 0.39 2.07 -1.03 -3.34 114.93 112.36 1cff h MET 72 Ca -0.03 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1cff h MET 72 Cb 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1cff h MET 72 CO -0.13 0.00 -0.05 0.00 1.07 0.00 0.00 176.91 177.79 1cff h ALA 73 N 2.28 -0.29 -1.74 6.32 0.00 0.19 -3.48 119.26 122.53 1cff h ALA 73 Ca 0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 1cff h ALA 73 Cb 0.65 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1cff h ALA 73 CO 0.00 -0.28 -0.47 -0.98 0.00 0.00 0.00 179.25 177.52 1cff s ARG 74 N -2.01 2.47 0.09 0.00 1.70 0.14 -5.05 118.95 116.30 1cff s ARG 74 Ca -0.02 -1.53 0.10 0.00 -0.47 0.00 0.00 55.73 53.80 1cff s ARG 74 Cb 0.00 -2.27 -0.03 0.00 -0.57 0.00 0.00 34.95 32.08 1cff s ARG 74 CO 0.07 -0.00 -0.26 -1.59 -1.08 0.00 0.00 175.30 172.44 1cff s LYS 75 N -3.96 1.49 0.71 3.89 -2.85 -1.26 -4.57 119.74 113.19 1cff s LYS 75 Ca 0.42 -1.22 -0.12 0.00 -1.00 0.00 0.00 55.97 54.04 1cff s LYS 75 Cb -0.02 -1.83 0.17 0.00 -2.06 0.00 0.00 37.83 34.09 1cff s LYS 75 CO 0.25 0.45 0.69 -0.12 0.10 0.00 0.00 175.35 176.72 1cff n MET 76 N 1.27 -1.99 -1.16 1.78 1.56 -1.26 -4.91 117.12 112.40 1cff n MET 76 Ca -0.18 -1.09 0.00 0.00 -0.27 0.00 0.00 57.70 56.16 1cff n MET 76 Cb 0.53 -0.95 0.00 0.00 2.15 0.00 0.00 33.22 34.94 1cff n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1cff n LYS 77 N -3.35 -3.19 -2.86 2.12 3.00 -1.26 -4.92 118.16 107.70 1cff n LYS 77 Ca 0.09 2.32 -0.02 0.00 -0.00 0.00 0.00 58.31 60.70 1cff n LYS 77 Cb 0.35 -2.52 -0.02 0.00 0.00 0.00 0.00 35.03 32.84 1cff n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1cff n ASP 78 N 0.23 -4.64 -3.40 3.14 8.00 -1.26 -5.05 116.55 113.57 1cff n ASP 78 Ca 0.00 1.11 -0.09 0.00 0.71 0.00 0.00 54.79 56.52 1cff n ASP 78 Cb 0.00 -3.52 -0.01 0.00 -0.02 0.00 0.00 41.12 37.57 1cff n ASP 78 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1cff s THR 79 N -0.59 0.00 0.30 -3.53 -4.23 -1.26 -5.07 115.64 101.26 1cff s THR 79 Ca -0.12 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1cff s THR 79 Cb 0.01 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1cff s THR 79 CO 0.42 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.83 1cff n ASP 80 N -0.98 -8.74 -3.56 3.99 2.03 -1.26 -5.08 116.55 102.94 1cff n ASP 80 Ca -0.05 1.25 -0.14 0.00 0.52 0.00 0.00 54.79 56.37 1cff n ASP 80 Cb 0.60 -4.63 -0.06 0.00 -0.72 0.00 0.00 41.12 36.32 1cff n ASP 80 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1cff s SER 81 N -1.49 -0.49 0.08 1.67 0.15 -1.26 -5.13 113.70 107.23 1cff s SER 81 Ca 0.00 0.55 -0.31 0.00 0.70 0.00 0.00 55.95 56.89 1cff s SER 81 Cb 0.00 0.42 -0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1cff s SER 81 CO 0.00 -0.45 1.84 -1.61 1.20 0.00 0.00 173.24 174.22 1cff s GLU 82 N -1.10 4.15 0.00 5.44 2.02 -1.26 -4.84 118.70 123.10 1cff s GLU 82 Ca -0.05 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.48 1cff s GLU 82 Cb -0.00 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1cff s GLU 82 CO 0.05 -0.86 0.00 0.39 0.02 0.00 0.00 175.26 174.86 1cff n GLU 83 N 6.30 0.00 0.03 1.61 1.02 -1.26 -4.80 120.64 123.53 1cff n GLU 83 Ca 0.18 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 1cff n GLU 83 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.70 1cff n GLU 83 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1cff n GLU 84 N -2.36 0.64 0.20 3.49 4.07 -1.26 -3.95 120.64 121.47 1cff n GLU 84 Ca 0.00 -0.09 0.14 0.00 -0.06 0.00 0.00 57.16 57.15 1cff n GLU 84 Cb 0.00 -1.62 0.41 0.00 -0.06 0.00 0.00 31.44 30.16 1cff n GLU 84 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1cff h ILE 85 N 0.00 0.00 -1.33 6.31 2.04 -1.94 -3.22 117.51 119.38 1cff h ILE 85 Ca -0.00 -0.65 0.38 0.00 1.00 0.00 0.00 64.86 65.59 1cff h ILE 85 Cb 1.01 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1cff h ILE 85 CO 0.00 0.00 1.05 0.03 0.00 0.00 0.00 178.15 179.23 1cff h ARG 86 N 0.00 0.00 0.06 2.37 3.08 -1.87 1.73 114.38 119.75 1cff h ARG 86 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cff h ARG 86 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1cff h ARG 86 CO 0.00 0.00 -0.03 1.49 -1.07 0.00 0.00 179.97 180.36 1cff h GLU 87 N 0.00 -0.08 0.00 0.04 4.57 -1.85 -2.68 114.58 114.58 1cff h GLU 87 Ca 0.63 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.79 1cff h GLU 87 Cb 2.73 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 31.33 1cff h GLU 87 CO -0.01 0.46 -0.15 0.00 -1.18 0.00 0.00 179.01 178.14 1cff h ALA 88 N -0.32 1.43 -0.59 2.92 0.00 -0.71 0.14 119.26 122.13 1cff h ALA 88 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1cff h ALA 88 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1cff h ALA 88 CO 0.01 0.18 0.08 0.35 0.00 0.00 0.00 179.25 179.87 1cff h PHE 89 N 0.00 1.06 0.00 0.00 3.57 0.24 0.23 116.94 122.03 1cff h PHE 89 Ca -0.00 -0.15 -0.15 0.00 3.53 0.00 0.00 57.97 61.19 1cff h PHE 89 Cb 0.33 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1cff h PHE 89 CO 0.00 0.92 -0.84 0.00 -2.23 0.00 0.00 178.31 176.16 1cff h ARG 90 N 0.89 0.00 0.00 1.11 2.47 -1.05 -2.34 114.38 115.46 1cff h ARG 90 Ca 0.18 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.80 1cff h ARG 90 Cb 0.45 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 1cff h ARG 90 CO 0.02 0.59 -0.47 0.28 0.56 0.00 0.00 179.97 180.94 1cff h VAL 91 N 0.00 1.19 0.00 2.04 2.07 -0.64 -3.15 116.25 117.76 1cff h VAL 91 Ca -0.05 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1cff h VAL 91 Cb 1.54 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 1cff h VAL 91 CO 0.08 0.46 -1.40 0.49 0.02 0.00 0.00 177.57 177.22 1cff n PHE 92 N -3.77 0.03 0.75 1.57 3.72 0.77 -4.25 117.46 116.29 1cff n PHE 92 Ca -0.01 0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1cff n PHE 92 Cb 0.52 -0.25 0.49 0.00 -0.94 0.00 0.00 39.48 39.31 1cff n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cff n ASP 93 N -1.86 0.33 0.00 4.37 -0.08 -0.88 -4.63 116.55 113.80 1cff n ASP 93 Ca 0.01 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1cff n ASP 93 Cb 0.44 -0.63 0.00 0.00 2.34 0.00 0.00 41.12 43.27 1cff n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cff n LYS 94 N -1.82 0.00 0.11 -0.67 4.81 -1.24 0.13 118.16 119.48 1cff n LYS 94 Ca 0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.37 1cff n LYS 94 Cb 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.32 1cff n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1cff h ASP 95 N 0.00 -0.57 0.00 3.14 3.04 -1.93 -3.48 116.42 116.62 1cff h ASP 95 Ca 0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1cff h ASP 95 Cb 0.00 0.22 0.00 0.00 -1.04 0.00 0.00 39.33 38.51 1cff h ASP 95 CO 0.00 -0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.52 1cff n GLY 96 N -1.33 0.39 0.81 7.15 0.00 0.12 -5.09 105.19 107.24 1cff n GLY 96 Ca -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.32 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 0.85 0.00 1.61 4.13 -1.26 -5.06 115.26 115.53 1cff n ASN 97 Ca 0.00 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.39 1cff n ASN 97 Cb 0.00 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 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 2.80 1.25 3.55 7.41 0.00 -1.26 -5.12 105.19 113.81 1cff n GLY 98 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.44 2.67 -0.80 1.61 2.02 -1.26 -4.36 117.35 116.78 1cff s TYR 99 Ca 0.00 -0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1cff s TYR 99 Cb 0.00 -1.39 0.20 0.00 -0.40 0.00 0.00 41.96 40.38 1cff s TYR 99 CO 0.00 0.43 0.68 0.42 -1.57 0.00 0.00 175.55 175.51 1cff s ILE 100 N -1.27 4.43 0.02 2.71 1.01 -1.08 -4.89 121.20 122.13 1cff s ILE 100 Ca 0.21 -3.32 -0.25 0.00 0.00 0.00 0.00 60.65 57.30 1cff s ILE 100 Cb -0.11 -3.78 -0.18 0.00 0.01 0.00 0.00 42.46 38.41 1cff s ILE 100 CO 0.13 -1.01 1.42 -1.28 0.00 0.00 0.00 174.94 174.20 1cff h SER 101 N 6.67 0.03 0.00 3.58 0.87 -1.93 -3.37 113.55 119.39 1cff h SER 101 Ca 0.09 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1cff h SER 101 Cb 0.90 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1cff h SER 101 CO 0.80 0.36 0.00 0.00 -0.53 0.00 0.00 176.83 177.45 1cff n ALA 102 N -2.27 0.00 -0.01 6.23 0.00 -1.26 -4.79 120.51 118.40 1cff n ALA 102 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 1cff n ALA 102 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.59 -0.96 0.00 0.00 -1.97 1.13 119.26 116.88 1cff h ALA 103 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1cff h ALA 103 Cb 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1cff h ALA 103 CO 0.00 -0.67 0.55 1.05 0.00 0.00 0.00 179.25 180.18 1cff h GLU 104 N -0.22 0.69 0.63 0.00 4.11 -1.91 0.68 114.58 118.56 1cff h GLU 104 Ca 0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 1cff h GLU 104 Cb 0.26 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1cff h GLU 104 CO -0.19 0.46 -0.35 -0.07 0.07 0.00 0.00 179.01 178.94 1cff h LEU 105 N 0.72 -0.85 -0.55 3.06 3.38 -1.45 0.30 115.31 119.92 1cff h LEU 105 Ca 0.54 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.67 1cff h LEU 105 Cb 0.83 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 1cff h LEU 105 CO -0.38 -0.56 -0.15 0.03 0.09 0.00 0.00 178.44 177.47 1cff h ARG 106 N -0.90 -0.01 0.31 1.13 3.08 0.27 1.36 114.38 119.61 1cff h ARG 106 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1cff h ARG 106 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1cff h ARG 106 CO 0.11 -0.01 -0.15 1.25 -1.07 0.00 0.00 179.97 180.10 1cff h HIS 107 N -0.01 -0.39 -0.02 3.04 2.76 -0.69 -2.47 115.15 117.38 1cff h HIS 107 Ca 0.26 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1cff h HIS 107 Cb 0.41 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1cff h HIS 107 CO -0.47 -0.24 -0.01 -0.39 -1.30 0.00 0.00 177.93 175.53 1cff h VAL 108 N -0.54 1.31 0.00 5.26 -1.51 -0.31 -1.94 116.25 118.52 1cff h VAL 108 Ca -0.04 -0.94 -0.00 0.00 -1.23 0.00 0.00 66.70 64.48 1cff h VAL 108 Cb 0.32 1.91 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1cff h VAL 108 CO 0.07 0.25 -0.02 -0.03 -1.23 0.00 0.00 177.57 176.61 1cff h MET 109 N -0.35 0.00 0.00 5.19 -1.53 0.17 1.10 114.93 119.52 1cff h MET 109 Ca 0.00 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.03 1cff h MET 109 Cb 0.41 0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.42 1cff h MET 109 CO 0.00 0.02 -1.60 2.41 0.14 0.00 0.00 176.91 177.88 1cff n THR 110 N -3.21 1.37 0.04 -0.77 -1.04 -0.93 -3.74 114.28 106.01 1cff n THR 110 Ca -0.02 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.05 61.23 1cff n THR 110 Cb 0.18 -0.85 -0.08 0.00 -1.82 0.00 0.00 70.33 67.76 1cff n THR 110 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1cff h ASN 111 N 0.00 0.00 -0.16 8.00 2.35 -0.64 -3.33 115.58 121.79 1cff h ASN 111 Ca -0.23 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1cff h ASN 111 Cb 1.80 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.16 1cff h ASN 111 CO 0.06 0.70 0.11 -0.07 -1.65 0.00 0.00 177.43 176.58 1cff h LEU 112 N 0.00 0.10 0.00 1.61 3.38 0.11 -3.45 115.31 117.05 1cff h LEU 112 Ca -0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1cff h LEU 112 Cb 1.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1cff h LEU 112 CO 0.06 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1cff n GLY 113 N -1.54 0.15 2.10 0.83 0.00 -1.25 -5.09 105.19 100.39 1cff n GLY 113 Ca 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.39 -2.59 1.61 0.00 -1.25 -5.02 120.64 113.00 1cff n GLU 114 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 57.16 55.70 1cff n GLU 114 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 31.44 30.83 1cff n GLU 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1cff n LYS 115 N -2.35 2.78 -1.52 3.44 0.00 -1.26 -4.03 118.16 115.22 1cff n LYS 115 Ca 0.09 -4.20 -0.27 0.00 -0.00 0.00 0.00 58.31 53.93 1cff n LYS 115 Cb 0.32 -1.98 -0.15 0.00 -0.00 0.00 0.00 35.03 33.21 1cff n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1cff n LEU 116 N -0.33 0.07 -4.24 -5.58 4.77 -1.26 -4.86 117.00 105.56 1cff n LEU 116 Ca 0.31 -0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 55.49 1cff n LEU 116 Cb 0.68 -0.97 0.22 0.00 -2.33 0.00 0.00 43.42 41.01 1cff n LEU 116 CO 0.31 -1.48 0.00 0.35 -1.33 0.00 0.00 177.39 175.25 1cff n THR 117 N 6.96 0.00 0.20 -5.08 -2.24 -1.26 -4.55 114.28 108.32 1cff n THR 117 Ca 0.60 -0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.25 1cff n THR 117 Cb 0.21 -0.75 0.33 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.72 0.00 0.19 3.42 3.58 -1.98 -0.93 116.42 117.97 1cff h ASP 118 Ca -0.46 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1cff h ASP 118 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1cff h ASP 118 CO 0.33 0.25 -0.09 -0.33 -2.88 0.00 0.00 179.24 176.52 1cff h GLU 119 N 0.00 -0.24 -0.07 0.28 4.39 -1.99 -2.82 114.58 114.14 1cff h GLU 119 Ca -0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1cff h GLU 119 Cb 0.92 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1cff h GLU 119 CO 0.03 0.07 -0.05 1.05 -1.16 0.00 0.00 179.01 178.96 1cff h GLU 120 N -0.98 0.15 -0.96 2.33 4.11 -1.92 -2.84 114.58 114.46 1cff h GLU 120 Ca -0.03 -0.07 0.15 0.00 0.07 0.00 0.00 59.36 59.48 1cff h GLU 120 Cb 0.42 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1cff h GLU 120 CO 0.04 0.55 0.58 -0.24 0.07 0.00 0.00 179.01 180.01 1cff h VAL 121 N -0.25 0.81 0.71 -1.06 3.04 -1.33 0.43 116.25 118.60 1cff h VAL 121 Ca 0.01 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 65.38 1cff h VAL 121 Cb 0.52 -0.10 0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1cff h VAL 121 CO 0.01 0.15 -0.34 -0.78 -1.01 0.00 0.00 177.57 175.60 1cff h ASP 122 N 0.83 -0.81 -0.81 3.17 3.58 -1.46 -1.90 116.42 119.01 1cff h ASP 122 Ca 0.51 0.00 0.06 0.00 0.42 0.00 0.00 57.03 58.02 1cff h ASP 122 Cb 0.65 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 1cff h ASP 122 CO -0.32 -0.50 0.53 -0.08 -2.88 0.00 0.00 179.24 175.98 1cff h GLU 123 N -1.09 0.90 -0.19 0.28 4.81 -1.20 0.45 114.58 118.54 1cff h GLU 123 Ca -0.10 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1cff h GLU 123 Cb 0.76 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1cff h GLU 123 CO 0.16 0.60 -0.07 1.98 -0.73 0.00 0.00 179.01 180.94 1cff h MET 124 N 0.93 -0.04 0.00 1.92 4.05 0.01 1.39 114.93 123.19 1cff h MET 124 Ca 0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1cff h MET 124 Cb 0.17 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1cff h MET 124 CO -0.12 -0.03 0.00 0.82 0.23 0.00 0.00 176.91 177.82 1cff h ILE 125 N -0.04 0.00 0.16 1.77 1.08 -0.57 0.24 117.51 120.15 1cff h ILE 125 Ca 0.10 -0.67 -0.29 0.00 -0.39 0.00 0.00 64.86 63.61 1cff h ILE 125 Cb 0.19 1.64 0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1cff h ILE 125 CO -0.22 0.00 -1.23 0.03 -0.69 0.00 0.00 178.15 176.03 1cff h ARG 126 N 0.00 0.56 0.00 2.37 -0.00 0.19 -1.18 114.38 116.31 1cff h ARG 126 Ca 0.00 -0.81 -0.22 0.00 -0.50 0.00 0.00 59.98 58.45 1cff h ARG 126 Cb 0.72 0.28 -0.03 0.00 0.00 0.00 0.00 29.97 30.94 1cff h ARG 126 CO 0.00 1.37 -1.10 0.93 0.00 0.00 0.00 179.97 181.17 1cff h GLU 127 N 0.14 0.00 -0.32 0.04 5.08 0.19 -3.26 114.58 116.45 1cff h GLU 127 Ca -0.20 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1cff h GLU 127 Cb 1.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 1cff h GLU 127 CO 0.23 0.92 -0.43 0.00 -1.00 0.00 0.00 179.01 178.74 1cff h ALA 128 N 1.00 0.64 -0.36 3.43 0.00 -0.58 -3.41 119.26 119.99 1cff h ALA 128 Ca -0.05 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 1cff h ALA 128 Cb 1.80 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 1cff h ALA 128 CO 0.12 0.67 0.95 -3.47 0.00 0.00 0.00 179.25 177.52 1cff n ASP 129 N -4.03 0.75 0.00 0.00 2.03 -0.45 -4.80 116.55 110.05 1cff n ASP 129 Ca -0.02 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1cff n ASP 129 Cb 0.56 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1cff n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1cff n ILE 130 N 7.60 0.00 -0.29 5.18 -0.00 -1.26 -3.57 119.36 127.01 1cff n ILE 130 Ca 0.54 1.12 0.12 0.00 -0.00 0.00 0.00 62.75 64.53 1cff n ILE 130 Cb 0.33 -2.05 0.28 0.00 -0.00 0.00 0.00 39.64 38.20 1cff n ILE 130 CO 0.00 0.00 0.00 -2.24 -0.00 0.00 0.00 176.55 174.31 1cff h ASP 131 N 0.00 0.02 -2.78 4.38 3.04 -1.95 -3.46 116.42 115.67 1cff h ASP 131 Ca 0.00 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 1cff h ASP 131 Cb 0.00 0.25 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1cff h ASP 131 CO 0.00 -0.14 0.00 0.61 -2.04 0.00 0.00 179.24 177.67 1cff n GLY 132 N -1.37 0.40 0.07 7.15 0.00 -1.23 -5.01 105.19 105.19 1cff n GLY 132 Ca 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 1cff n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cff n ASP 133 N -1.18 0.17 0.00 1.61 9.92 -1.26 -4.97 116.55 120.84 1cff n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cff n ASP 133 Cb 0.46 1.28 0.00 0.00 -0.64 0.00 0.00 41.12 42.22 1cff n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cff n GLY 134 N 1.64 0.84 0.00 0.44 0.00 -1.26 -5.10 105.19 101.75 1cff n GLY 134 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -3.75 1.61 7.27 -1.26 -4.99 117.38 116.26 1cff n GLN 135 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 1cff n GLN 135 Cb 0.00 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.49 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 1.11 0.60 -0.13 1.69 1.01 -1.26 -4.67 120.40 118.76 1cff s VAL 136 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 1cff s VAL 136 Cb 0.00 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1cff s VAL 136 CO 0.00 -0.23 0.35 0.21 0.00 0.00 0.00 175.10 175.43 1cff s ASN 137 N 1.82 6.54 0.50 3.32 3.84 -1.26 -2.62 114.94 127.09 1cff s ASN 137 Ca -0.01 0.64 0.42 0.00 0.21 0.00 0.00 52.86 54.12 1cff s ASN 137 Cb -0.17 -2.21 1.63 0.00 -0.55 0.00 0.00 41.25 39.94 1cff s ASN 137 CO -0.09 0.11 1.58 0.22 -2.79 0.00 0.00 177.10 176.13 1cff h TYR 138 N 6.40 0.25 -1.13 0.43 3.20 -1.98 0.93 116.97 125.07 1cff h TYR 138 Ca -0.43 0.01 0.32 0.00 3.14 0.00 0.00 58.73 61.78 1cff h TYR 138 Cb 1.18 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.33 1cff h TYR 138 CO 0.62 -0.14 0.80 1.05 -1.64 0.00 0.00 178.16 178.85 1cff h GLU 139 N 0.00 0.06 0.12 1.82 4.11 -1.96 0.82 114.58 119.55 1cff h GLU 139 Ca 0.92 -0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.98 1cff h GLU 139 Cb 3.33 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 32.55 1cff h GLU 139 CO -0.24 0.04 -1.96 0.93 0.07 0.00 0.00 179.01 177.85 1cff h GLU 140 N 0.06 0.26 -0.57 1.06 5.08 0.51 -2.65 114.58 118.33 1cff h GLU 140 Ca 0.55 -0.45 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1cff h GLU 140 Cb 2.08 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 31.43 1cff h GLU 140 CO -0.06 1.19 0.22 0.35 -1.00 0.00 0.00 179.01 179.71 1cff h PHE 141 N 0.07 0.39 0.21 4.33 3.04 0.17 -0.55 116.94 124.59 1cff h PHE 141 Ca -0.41 0.03 -0.33 0.00 3.98 0.00 0.00 57.97 61.23 1cff h PHE 141 Cb 2.04 -0.09 0.02 0.00 2.56 0.00 0.00 35.95 40.48 1cff h PHE 141 CO 0.08 0.12 -1.56 -0.39 -2.02 0.00 0.00 178.31 174.53 1cff h VAL 142 N 0.41 1.17 -0.56 1.41 -1.51 0.19 -1.38 116.25 115.97 1cff h VAL 142 Ca 0.28 -2.68 0.10 0.00 -1.23 0.00 0.00 66.70 63.17 1cff h VAL 142 Cb 0.32 2.91 -0.03 0.00 -2.13 0.00 0.00 31.29 32.36 1cff h VAL 142 CO -0.28 0.84 0.38 1.56 -1.23 0.00 0.00 177.57 178.84 1cff h GLN 143 N 0.12 0.32 0.04 5.19 4.20 -1.22 1.56 115.11 125.32 1cff h GLN 143 Ca -0.28 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.10 1cff h GLN 143 Cb 2.11 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.78 1cff h GLN 143 CO 0.22 0.21 -1.82 -1.33 -0.67 0.00 0.00 178.83 175.45 1cff n MET 144 N -4.46 0.67 -0.06 1.46 2.81 -0.24 -3.35 117.12 113.94 1cff n MET 144 Ca 0.09 0.28 -0.03 0.00 -1.81 0.00 0.00 57.70 56.22 1cff n MET 144 Cb 0.39 -1.76 -0.01 0.00 -0.71 0.00 0.00 33.22 31.13 1cff n MET 144 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1cff h MET 145 N 0.02 0.00 0.65 0.03 1.85 -0.41 -3.42 114.93 113.65 1cff h MET 145 Ca -0.34 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 58.72 1cff h MET 145 Cb 2.03 0.00 0.01 0.00 0.43 0.00 0.00 31.60 34.06 1cff h MET 145 CO 0.08 0.00 -0.31 1.79 -0.40 0.00 0.00 176.91 178.07 1cff h THR 146 N -0.97 0.06 -1.63 -0.77 1.35 0.20 -3.45 112.91 107.70 1cff h THR 146 Ca 0.00 -0.35 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 1cff h THR 146 Cb 0.38 0.09 0.02 0.00 -1.73 0.00 0.00 68.15 66.91 1cff h THR 146 CO 0.00 0.01 0.01 0.00 -0.25 0.00 0.00 175.52 175.29 1cff n ALA 147 N -2.69 -0.34 1.13 6.62 0.00 -0.22 -5.01 120.51 120.00 1cff n ALA 147 Ca -0.11 -0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.30 1cff n ALA 147 Cb 0.35 -0.01 0.21 0.00 0.00 0.00 0.00 19.45 20.00 1cff n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13