#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnc h TRP 2 N 0.00 0.21 -0.45 0.66 2.91 -2.05 0.32 115.95 117.55 2nnc h TRP 2 Ca 0.00 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.93 2nnc h TRP 2 Cb 0.00 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 2nnc h TRP 2 CO 0.00 0.20 -0.08 0.66 -1.03 0.00 0.00 178.44 178.19 2nnc h SER 3 N 0.16 0.78 -0.24 2.65 4.64 -2.05 0.21 113.55 119.70 2nnc h SER 3 Ca 0.05 -0.22 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 2nnc h SER 3 Cb 0.05 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2nnc h SER 3 CO -0.01 0.90 -0.03 -0.33 -0.87 0.00 0.00 176.83 176.48 2nnc h GLU 4 N 0.73 0.58 -0.21 4.77 3.07 -1.96 0.04 114.58 121.59 2nnc h GLU 4 Ca 0.13 -0.14 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2nnc h GLU 4 Cb 0.56 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2nnc h GLU 4 CO 0.03 0.63 -0.07 0.87 -1.40 0.00 0.00 179.01 179.07 2nnc h LYS 5 N 0.54 0.42 -0.87 2.33 1.57 0.23 -2.40 116.57 118.40 2nnc h LYS 5 Ca 0.11 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2nnc h LYS 5 Cb 0.40 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2nnc h LYS 5 CO 0.02 0.68 0.57 0.00 -0.57 0.00 0.00 179.45 180.15 2nnc h ALA 6 N 0.73 1.50 0.29 3.86 0.00 -0.33 0.13 119.26 125.44 2nnc h ALA 6 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2nnc h ALA 6 Cb 0.54 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2nnc h ALA 6 CO 0.02 0.40 -0.14 0.35 0.00 0.00 0.00 179.25 179.88 2nnc h PHE 7 N 1.04 -0.37 0.00 0.00 3.57 -0.96 -2.25 116.94 117.97 2nnc h PHE 7 Ca 0.36 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 2nnc h PHE 7 Cb 0.10 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2nnc h PHE 7 CO -0.00 -0.04 -0.30 0.66 -2.23 0.00 0.00 178.31 176.40 2nnc h SER 8 N -0.74 0.00 -0.44 0.41 4.64 -1.20 -1.13 113.55 115.09 2nnc h SER 8 Ca -0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 2nnc h SER 8 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 2nnc h SER 8 CO 0.07 0.30 0.08 0.00 -0.87 0.00 0.00 176.83 176.41 2nnc h ALA 9 N 1.70 0.58 -0.42 5.18 0.00 -0.75 -1.53 119.26 124.02 2nnc h ALA 9 Ca -0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2nnc h ALA 9 Cb 0.66 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2nnc h ALA 9 CO 0.04 0.30 0.07 1.03 0.00 0.00 0.00 179.25 180.68 2nnc h SER 10 N 0.58 0.67 -0.34 0.00 0.87 -0.82 -1.92 113.55 112.59 2nnc h SER 10 Ca 0.13 -0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2nnc h SER 10 Cb 0.37 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 2nnc h SER 10 CO 0.01 0.76 0.03 0.11 -0.53 0.00 0.00 176.83 177.21 2nnc h LYS 11 N 0.55 0.14 -0.29 2.24 1.57 -1.20 -2.25 116.57 117.33 2nnc h LYS 11 Ca 0.13 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2nnc h LYS 11 Cb 0.38 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2nnc h LYS 11 CO 0.01 0.09 0.05 1.25 -0.57 0.00 0.00 179.45 180.28 2nnc h LEU 12 N 0.14 0.01 -0.48 2.94 5.85 -1.14 -1.37 115.31 121.25 2nnc h LEU 12 Ca 0.17 0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.03 2nnc h LEU 12 Cb 0.21 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 2nnc h LEU 12 CO -0.25 0.04 -0.00 0.44 -0.34 0.00 0.00 178.44 178.33 2nnc h ASP 13 N 0.16 -0.21 -0.74 1.25 3.32 -1.14 -1.14 116.42 117.92 2nnc h ASP 13 Ca 0.13 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.32 2nnc h ASP 13 Cb 0.14 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2nnc h ASP 13 CO -0.18 -0.07 0.48 0.44 -1.72 0.00 0.00 179.24 178.19 2nnc h ASP 14 N 0.11 0.82 -0.48 6.45 5.19 -0.97 -1.03 116.42 126.51 2nnc h ASP 14 Ca 0.24 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.53 2nnc h ASP 14 Cb 0.36 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2nnc h ASP 14 CO -0.41 0.58 -0.14 0.00 -3.12 0.00 0.00 179.24 176.15 2nnc h ALA 15 N 1.29 0.67 -0.48 3.45 0.00 -0.74 0.47 119.26 123.91 2nnc h ALA 15 Ca 0.28 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 2nnc h ALA 15 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2nnc h ALA 15 CO -0.08 0.60 -0.20 0.82 0.00 0.00 0.00 179.25 180.39 2nnc h ILE 16 N 0.80 1.27 -0.35 0.00 2.04 -1.10 0.17 117.51 120.34 2nnc h ILE 16 Ca 0.12 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 2nnc h ILE 16 Cb 0.71 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2nnc h ILE 16 CO 0.05 0.47 0.18 0.00 0.00 0.00 0.00 178.15 178.85 2nnc h ALA 17 N 0.93 0.44 -0.58 1.87 0.00 -1.00 0.16 119.26 121.08 2nnc h ALA 17 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2nnc h ALA 17 Cb 0.76 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2nnc h ALA 17 CO 0.06 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.57 2nnc h ALA 18 N 1.05 1.41 0.00 0.00 0.00 0.32 0.24 119.26 122.28 2nnc h ALA 18 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2nnc h ALA 18 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2nnc h ALA 18 CO -0.02 0.47 -0.01 -0.22 0.00 0.00 0.00 179.25 179.47 2nnc h LYS 19 N 0.81 0.00 0.00 0.00 1.63 -0.51 -3.41 116.57 115.09 2nnc h LYS 19 Ca 0.20 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2nnc h LYS 19 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2nnc h LYS 19 CO -0.03 1.00 -0.63 1.19 -3.45 0.00 0.00 179.45 177.54 2nnc n PHE 20 N -4.61 0.00 -0.35 1.91 3.72 0.56 -5.09 117.46 113.61 2nnc n PHE 20 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2nnc n PHE 20 Cb 0.48 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 2nnc n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nnc n GLY 21 N 1.31 -3.21 2.39 1.37 0.00 0.83 -4.64 105.19 103.25 2nnc n GLY 21 Ca 0.02 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 2nnc n GLY 21 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nnc n SER 22 N -0.20 8.18 -4.84 1.61 7.64 -1.26 -4.06 113.62 120.68 2nnc n SER 22 Ca 0.00 -2.89 -0.38 0.00 1.01 0.00 0.00 58.87 56.61 2nnc n SER 22 Cb 0.00 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 61.70 2nnc n SER 22 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2nnc s LEU 23 N -1.13 4.46 0.60 -3.43 1.43 -1.26 -5.07 118.68 114.28 2nnc s LEU 23 Ca 0.61 0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 54.47 2nnc s LEU 23 Cb 0.20 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2nnc s LEU 23 CO -0.08 0.30 1.30 -2.84 0.23 0.00 0.00 176.35 175.26 2nnc s PRO 24 N -1.20 2.82 0.01 1.29 0.02 -1.26 -4.95 135.00 131.73 2nnc s PRO 24 Ca 0.25 2.07 0.05 0.00 0.02 0.00 0.00 61.00 63.39 2nnc s PRO 24 Cb -0.16 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 2nnc s PRO 24 CO 0.14 -1.39 -0.14 0.42 -0.33 0.00 0.00 177.00 175.69 2nnc s ILE 25 N -1.40 1.14 0.27 2.83 1.09 -1.26 -3.66 121.20 120.20 2nnc s ILE 25 Ca 0.78 -0.74 0.11 0.00 -1.10 0.00 0.00 60.65 59.70 2nnc s ILE 25 Cb -0.37 -0.98 -0.05 0.00 -1.06 0.00 0.00 42.46 40.00 2nnc s ILE 25 CO 0.41 0.23 -0.18 0.00 -0.10 0.00 0.00 174.94 175.30 2nnc s GLN 26 N -0.59 1.61 0.27 2.79 -2.07 -0.62 -5.00 119.66 116.05 2nnc s GLN 26 Ca 0.05 -1.74 -0.17 0.00 -1.82 0.00 0.00 55.36 51.67 2nnc s GLN 26 Cb -0.06 -1.61 -0.09 0.00 -1.09 0.00 0.00 33.01 30.16 2nnc s GLN 26 CO 0.00 0.28 0.73 -1.21 -1.32 0.00 0.00 175.29 173.77 2nnc s GLU 27 N -3.55 4.12 -0.01 9.60 0.41 -1.26 0.13 118.70 128.13 2nnc s GLU 27 Ca 0.29 0.76 -0.00 0.00 -0.41 0.00 0.00 54.97 55.60 2nnc s GLU 27 Cb -0.03 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.68 2nnc s GLU 27 CO 0.13 0.27 0.01 0.45 -0.49 0.00 0.00 175.26 175.63 2nnc s SER 28 N -1.98 0.01 0.00 -0.19 0.15 0.36 -4.78 113.70 107.26 2nnc s SER 28 Ca 0.49 0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.42 2nnc s SER 28 Cb -0.13 -0.00 0.78 0.00 -1.71 0.00 0.00 66.02 64.95 2nnc s SER 28 CO 0.19 -0.03 1.58 0.41 1.20 0.00 0.00 173.24 176.60 2nnc n THR 29 N 3.30 0.00 -0.33 6.45 -1.04 -1.26 -4.22 114.28 117.17 2nnc n THR 29 Ca -0.15 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.67 2nnc n THR 29 Cb 0.58 0.29 0.04 0.00 -1.82 0.00 0.00 70.33 69.42 2nnc n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nnc n ALA 30 N -0.86 4.23 -3.69 2.41 0.00 -1.26 -4.72 120.51 116.62 2nnc n ALA 30 Ca 0.11 -1.02 -0.19 0.00 0.00 0.00 0.00 53.44 52.35 2nnc n ALA 30 Cb 0.34 -1.20 -0.16 0.00 0.00 0.00 0.00 19.45 18.42 2nnc n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nnc s ILE 31 N -1.32 0.29 -0.22 0.00 1.01 -1.26 -2.45 121.20 117.26 2nnc s ILE 31 Ca 0.19 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 2nnc s ILE 31 Cb 0.16 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.23 2nnc s ILE 31 CO 0.01 0.18 -0.02 -1.10 0.00 0.00 0.00 174.94 174.01 2nnc s GLN 32 N 1.15 3.44 -0.17 2.79 1.11 0.16 -4.99 119.66 123.15 2nnc s GLN 32 Ca -0.08 -0.59 0.01 0.00 0.01 0.00 0.00 55.36 54.70 2nnc s GLN 32 Cb -0.14 -3.05 0.03 0.00 -1.01 0.00 0.00 33.01 28.84 2nnc s GLN 32 CO -0.02 -0.16 -0.13 0.42 0.01 0.00 0.00 175.29 175.41 2nnc s ILE 33 N 1.42 1.67 -0.15 1.08 1.01 -1.26 -1.00 121.20 123.96 2nnc s ILE 33 Ca 0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 2nnc s ILE 33 Cb -0.14 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 2nnc s ILE 33 CO -0.01 0.36 -0.06 -0.54 0.00 0.00 0.00 174.94 174.68 2nnc s LYS 34 N 1.42 3.58 0.09 2.79 1.02 0.56 -4.98 119.74 124.22 2nnc s LYS 34 Ca 0.03 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.20 2nnc s LYS 34 Cb -0.14 -2.84 0.07 0.00 -0.52 0.00 0.00 37.83 34.40 2nnc s LYS 34 CO -0.10 0.21 0.60 0.00 -0.92 0.00 0.00 175.35 175.14 2nnc s ALA 35 N 0.42 -1.58 0.46 5.17 0.00 -1.26 -0.64 121.76 124.32 2nnc s ALA 35 Ca -0.06 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.39 2nnc s ALA 35 Cb -0.15 0.59 -0.12 0.00 0.00 0.00 0.00 23.12 23.44 2nnc s ALA 35 CO 0.04 -0.63 0.42 -2.30 0.00 0.00 0.00 175.76 173.28 2nnc n PRO 36 N 0.05 0.43 0.00 0.00 -0.02 -1.26 -4.92 135.00 129.28 2nnc n PRO 36 Ca -0.18 0.16 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 2nnc n PRO 36 Cb 0.62 -1.43 -0.10 0.00 -0.02 0.00 0.00 33.50 32.57 2nnc n PRO 36 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2nnc h GLU 37 N 0.55 -0.05 -6.19 -0.52 9.09 -1.94 -3.45 114.58 112.07 2nnc h GLU 37 Ca -0.41 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.41 2nnc h GLU 37 Cb 1.41 0.01 -0.13 0.00 -1.65 0.00 0.00 28.75 28.39 2nnc h GLU 37 CO 0.49 0.44 -0.72 0.96 0.05 0.00 0.00 179.01 180.22 2nnc s ILE 38 N -4.15 2.72 0.17 -1.06 -5.25 -1.26 -2.23 121.20 110.13 2nnc s ILE 38 Ca -0.16 -2.27 -0.09 0.00 -0.99 0.00 0.00 60.65 57.14 2nnc s ILE 38 Cb 0.01 -2.46 -0.01 0.00 2.95 0.00 0.00 42.46 42.95 2nnc s ILE 38 CO 0.65 -0.38 0.30 0.00 -1.79 0.00 0.00 174.94 173.71 2nnc s ALA 39 N -2.47 -0.02 0.44 2.27 0.00 -0.93 -4.95 121.76 116.09 2nnc s ALA 39 Ca 0.31 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.17 2nnc s ALA 39 Cb -0.05 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 23.85 2nnc s ALA 39 CO 0.16 -0.66 1.02 -1.21 0.00 0.00 0.00 175.76 175.07 2nnc s GLU 40 N -3.97 4.05 -0.42 0.00 8.01 -1.26 -4.62 118.70 120.49 2nnc s GLU 40 Ca 0.17 1.35 -0.28 0.00 0.01 0.00 0.00 54.97 56.23 2nnc s GLU 40 Cb 0.03 -2.30 -0.02 0.00 -4.31 0.00 0.00 34.13 27.54 2nnc s GLU 40 CO 0.00 -0.21 1.82 -0.80 0.01 0.00 0.00 175.26 176.08 2nnc s ASN 41 N -1.87 5.69 0.00 -0.19 0.02 -1.26 -3.18 114.94 114.15 2nnc s ASN 41 Ca 0.62 0.99 0.00 0.00 -1.02 0.00 0.00 52.86 53.45 2nnc s ASN 41 Cb -0.17 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.58 2nnc s ASN 41 CO 0.21 -1.93 0.00 0.61 0.02 0.00 0.00 177.10 176.01 2nnc n GLY 42 N 5.50 0.85 3.73 0.66 0.00 -1.09 -5.05 105.19 109.79 2nnc n GLY 42 Ca 0.22 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 2nnc n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnc s ALA 43 N -2.00 3.94 0.03 4.61 0.00 -1.19 -4.79 121.76 122.36 2nnc s ALA 43 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 2nnc s ALA 43 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2nnc s ALA 43 CO 0.00 -0.04 0.99 -0.06 0.00 0.00 0.00 175.76 176.65 2nnc s PHE 44 N -2.85 3.68 -0.22 0.00 0.40 -1.26 -2.91 117.98 114.82 2nnc s PHE 44 Ca 0.11 1.70 -0.02 0.00 -0.60 0.00 0.00 56.93 58.11 2nnc s PHE 44 Cb 0.03 -3.13 0.01 0.00 0.51 0.00 0.00 43.02 40.44 2nnc s PHE 44 CO 0.06 -0.05 -0.08 0.08 0.70 0.00 0.00 175.22 175.93 2nnc s VAL 45 N 0.76 2.98 0.16 -0.44 1.01 -0.36 -4.89 120.40 119.61 2nnc s VAL 45 Ca 0.51 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 2nnc s VAL 45 Cb -0.22 -2.39 -0.08 0.00 0.00 0.00 0.00 36.38 33.69 2nnc s VAL 45 CO 0.29 0.37 1.32 -2.16 0.00 0.00 0.00 175.10 174.92 2nnc s PRO 46 N 1.40 4.38 -0.03 2.72 0.04 -1.26 -1.53 135.00 140.71 2nnc s PRO 46 Ca 0.04 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2nnc s PRO 46 Cb -0.15 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 2nnc s PRO 46 CO -0.05 -0.31 -0.15 0.08 0.04 0.00 0.00 177.00 176.61 2nnc s VAL 47 N 0.53 1.27 -0.06 -0.36 1.01 0.49 -4.23 120.40 119.06 2nnc s VAL 47 Ca 0.59 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2nnc s VAL 47 Cb -0.36 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2nnc s VAL 47 CO 0.34 0.37 -0.14 -0.89 0.00 0.00 0.00 175.10 174.78 2nnc s THR 48 N -0.06 1.25 -0.05 3.92 2.01 0.18 -1.73 115.64 121.16 2nnc s THR 48 Ca -0.01 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2nnc s THR 48 Cb -0.09 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 2nnc s THR 48 CO 0.01 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.47 2nnc s VAL 49 N 0.41 1.34 0.24 3.82 1.01 -0.31 -0.32 120.40 126.59 2nnc s VAL 49 Ca -0.11 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2nnc s VAL 49 Cb -0.14 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2nnc s VAL 49 CO 0.03 0.39 0.13 0.00 0.00 0.00 0.00 175.10 175.65 2nnc s ALA 50 N 0.14 1.54 0.01 5.51 0.00 -0.17 -0.76 121.76 128.04 2nnc s ALA 50 Ca -0.05 -1.79 -0.19 0.00 0.00 0.00 0.00 51.96 49.93 2nnc s ALA 50 Cb -0.12 1.22 0.04 0.00 0.00 0.00 0.00 23.12 24.26 2nnc s ALA 50 CO 0.02 -0.53 0.41 -0.08 0.00 0.00 0.00 175.76 175.59 2nnc s THR 51 N -3.89 0.05 -0.16 0.00 -1.32 -1.26 -0.67 115.64 108.40 2nnc s THR 51 Ca 0.38 -0.40 0.17 0.00 -1.21 0.00 0.00 61.69 60.62 2nnc s THR 51 Cb 0.07 -0.85 0.37 0.00 -1.51 0.00 0.00 72.50 70.58 2nnc s THR 51 CO 0.14 -0.22 1.24 -1.54 -2.21 0.00 0.00 174.62 172.03 2nnc n SER 52 N 0.82 2.59 -4.69 8.08 3.41 -1.02 -4.76 113.62 118.05 2nnc n SER 52 Ca -0.20 -3.24 -0.42 0.00 -0.26 0.00 0.00 58.87 54.75 2nnc n SER 52 Cb 0.58 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 2nnc n SER 52 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2nnc s ILE 53 N -2.95 4.49 0.00 -1.33 1.01 -1.25 -4.98 121.20 116.19 2nnc s ILE 53 Ca 0.36 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.80 2nnc s ILE 53 Cb 0.31 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2nnc s ILE 53 CO 0.03 0.02 0.85 -2.65 0.00 0.00 0.00 174.94 173.19 2nnc n PRO 54 N 4.91 0.00 -1.37 2.79 -0.02 -1.26 -2.55 135.00 137.50 2nnc n PRO 54 Ca 0.10 0.63 -0.25 0.00 -2.02 0.00 0.00 63.50 61.95 2nnc n PRO 54 Cb 0.48 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.57 2nnc n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nnc n GLY 55 N -0.93 4.35 3.65 -1.23 0.00 -1.26 -4.22 105.19 105.55 2nnc n GLY 55 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2nnc n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nnc s ALA 56 N -1.82 3.51 -0.30 4.61 0.00 -1.06 -3.56 121.76 123.15 2nnc s ALA 56 Ca 0.53 0.63 0.07 0.00 0.00 0.00 0.00 51.96 53.19 2nnc s ALA 56 Cb 0.36 -3.75 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 2nnc s ALA 56 CO -0.18 -1.52 0.29 0.25 0.00 0.00 0.00 175.76 174.60 2nnc n THR 57 N 5.77 0.00 -3.80 0.00 -2.24 -0.49 -4.41 114.28 109.11 2nnc n THR 57 Ca 0.17 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2nnc n THR 57 Cb 0.44 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 2nnc n THR 57 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2nnc s ASN 58 N -1.86 -0.19 -0.17 3.42 3.84 -1.21 -1.01 114.94 117.76 2nnc s ASN 58 Ca 0.02 0.38 0.01 0.00 0.21 0.00 0.00 52.86 53.48 2nnc s ASN 58 Cb 0.05 0.37 0.03 0.00 -0.55 0.00 0.00 41.25 41.15 2nnc s ASN 58 CO 0.30 -0.08 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.77 2nnc s ILE 59 N 0.30 1.65 0.01 -5.21 1.01 0.74 -1.39 121.20 118.31 2nnc s ILE 59 Ca -0.02 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.88 2nnc s ILE 59 Cb -0.03 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2nnc s ILE 59 CO -0.01 0.34 -0.21 -0.44 0.00 0.00 0.00 174.94 174.62 2nnc s SER 60 N 1.43 3.56 -0.13 3.58 0.01 -0.31 0.89 113.70 122.73 2nnc s SER 60 Ca 0.02 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2nnc s SER 60 Cb -0.14 -0.54 0.01 0.00 0.21 0.00 0.00 66.02 65.56 2nnc s SER 60 CO -0.10 0.29 -0.19 -0.63 0.41 0.00 0.00 173.24 173.02 2nnc s ILE 61 N -0.80 1.80 -0.02 1.44 1.01 0.20 -1.59 121.20 123.24 2nnc s ILE 61 Ca 0.12 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.02 2nnc s ILE 61 Cb -0.10 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2nnc s ILE 61 CO 0.02 0.50 -0.24 -0.36 0.00 0.00 0.00 174.94 174.87 2nnc s PHE 62 N 0.92 2.40 -0.62 3.97 0.40 0.16 -0.33 117.98 124.88 2nnc s PHE 62 Ca -0.06 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.94 2nnc s PHE 62 Cb -0.15 -1.52 0.22 0.00 0.51 0.00 0.00 43.02 42.07 2nnc s PHE 62 CO -0.02 0.01 0.62 0.25 0.70 0.00 0.00 175.22 176.77 2nnc n THR 63 N 2.41 1.57 -0.30 0.64 -2.24 0.26 -1.18 114.28 115.44 2nnc n THR 63 Ca -0.16 -4.86 0.04 0.00 -2.27 0.00 0.00 64.05 56.80 2nnc n THR 63 Cb 0.51 -2.08 0.10 0.00 -2.10 0.00 0.00 70.33 66.76 2nnc n THR 63 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2nnc n PRO 64 N 1.39 -0.09 0.18 -0.78 -0.01 -1.26 -1.69 135.00 132.74 2nnc n PRO 64 Ca 0.26 1.30 0.05 0.00 -0.01 0.00 0.00 63.50 65.10 2nnc n PRO 64 Cb 0.41 -1.94 0.49 0.00 -0.01 0.00 0.00 33.50 32.45 2nnc n PRO 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2nnc h ALA 65 N 1.59 1.71 -2.20 3.55 0.00 -1.90 -3.44 119.26 118.57 2nnc h ALA 65 Ca 0.38 -0.13 -0.47 0.00 0.00 0.00 0.00 54.91 54.70 2nnc h ALA 65 Cb 0.59 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.35 2nnc h ALA 65 CO -0.86 0.21 0.37 -0.80 0.00 0.00 0.00 179.25 178.18 2nnc s ASN 66 N -6.95 6.52 0.34 0.00 0.02 -0.68 -4.94 114.94 109.25 2nnc s ASN 66 Ca -0.05 1.68 0.12 0.00 -1.02 0.00 0.00 52.86 53.59 2nnc s ASN 66 Cb 0.16 -2.53 1.06 0.00 0.02 0.00 0.00 41.25 39.97 2nnc s ASN 66 CO 0.70 -0.65 1.60 2.19 0.02 0.00 0.00 177.10 180.96 2nnc h PHE 67 N 1.14 0.56 -3.46 2.20 -5.15 -1.89 -3.20 116.94 107.16 2nnc h PHE 67 Ca -0.48 0.05 -0.67 0.00 -0.20 0.00 0.00 57.97 56.67 2nnc h PHE 67 Cb 1.19 -0.08 -0.35 0.00 0.22 0.00 0.00 35.95 36.93 2nnc h PHE 67 CO 0.62 -0.37 -0.82 0.45 -2.00 0.00 0.00 178.31 176.18 2nnc s SER 68 N -4.79 3.83 0.13 -0.68 0.15 -1.26 -5.04 113.70 106.04 2nnc s SER 68 Ca -0.11 -0.99 -0.08 0.00 0.70 0.00 0.00 55.95 55.47 2nnc s SER 68 Cb 0.31 -1.53 -0.08 0.00 -1.71 0.00 0.00 66.02 63.01 2nnc s SER 68 CO 0.78 -0.10 1.35 1.55 1.20 0.00 0.00 173.24 178.03 2nnc h PRO 69 N 7.88 0.65 -6.37 5.44 0.13 -1.80 -3.42 132.00 134.50 2nnc h PRO 69 Ca -0.33 -0.53 -0.58 0.00 -0.87 0.00 0.00 66.00 63.69 2nnc h PRO 69 Cb 1.09 0.11 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2nnc h PRO 69 CO 0.56 1.15 0.78 1.41 -0.23 0.00 0.00 178.00 181.67 2nnc s MET 70 N -3.69 3.84 0.01 0.86 1.75 -1.26 0.90 119.30 121.70 2nnc s MET 70 Ca -0.08 0.68 0.19 0.00 -1.25 0.00 0.00 55.69 55.23 2nnc s MET 70 Cb 0.09 -3.83 -0.19 0.00 2.84 0.00 0.00 34.83 33.74 2nnc s MET 70 CO 0.88 -1.11 0.62 1.55 -0.65 0.00 0.00 175.02 176.32 2nnc n VAL 71 N 6.28 0.79 -3.55 10.11 3.14 0.55 -4.97 118.33 130.68 2nnc n VAL 71 Ca 0.10 -0.64 -0.11 0.00 -2.96 0.00 0.00 64.34 60.73 2nnc n VAL 71 Cb 0.48 -0.41 -0.04 0.00 -1.06 0.00 0.00 33.84 32.81 2nnc n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2nnc s ALA 72 N -3.09 -1.88 -0.13 1.55 0.00 -1.14 -5.01 121.76 112.06 2nnc s ALA 72 Ca -0.05 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2nnc s ALA 72 Cb 0.10 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.99 2nnc s ALA 72 CO 0.84 -0.43 0.29 0.45 0.00 0.00 0.00 175.76 176.91 2nnc s SER 73 N -1.52 0.04 -0.30 0.00 0.15 -1.26 -0.63 113.70 110.18 2nnc s SER 73 Ca -0.01 0.64 -0.02 0.00 0.70 0.00 0.00 55.95 57.26 2nnc s SER 73 Cb -0.01 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2nnc s SER 73 CO -0.00 -0.21 -0.00 0.12 1.20 0.00 0.00 173.24 174.34 2nnc s PHE 74 N 2.02 3.24 -0.07 3.44 5.36 0.26 -4.98 117.98 127.25 2nnc s PHE 74 Ca -0.03 -1.81 -0.14 0.00 -0.96 0.00 0.00 56.93 53.99 2nnc s PHE 74 Cb -0.11 -2.11 -0.05 0.00 -0.34 0.00 0.00 43.02 40.41 2nnc s PHE 74 CO -0.09 -0.79 0.35 -0.51 -1.46 0.00 0.00 175.22 172.72 2nnc s ASP 75 N 1.27 6.65 0.01 6.13 1.01 -1.26 -0.18 116.67 130.29 2nnc s ASP 75 Ca -0.05 0.77 -0.17 0.00 0.71 0.00 0.00 52.55 53.82 2nnc s ASP 75 Cb -0.19 -2.22 0.03 0.00 1.01 0.00 0.00 42.92 41.55 2nnc s ASP 75 CO -0.01 0.24 0.37 0.54 0.21 0.00 0.00 175.17 176.52 2nnc s VAL 76 N -0.49 0.06 0.51 -1.27 0.11 -0.18 -4.99 120.40 114.15 2nnc s VAL 76 Ca 0.21 -0.47 -0.21 0.00 -2.93 0.00 0.00 61.98 58.59 2nnc s VAL 76 Cb -0.15 -0.81 -0.07 0.00 -1.53 0.00 0.00 36.38 33.82 2nnc s VAL 76 CO 0.09 -0.26 1.14 -0.76 -3.33 0.00 0.00 175.10 171.99 2nnc s LEU 77 N -1.65 3.86 0.82 2.54 1.43 -1.26 -4.47 118.68 119.94 2nnc s LEU 77 Ca -0.09 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.13 2nnc s LEU 77 Cb -0.03 -4.44 0.08 0.00 0.03 0.00 0.00 46.19 41.83 2nnc s LEU 77 CO 0.01 -1.09 1.10 -2.16 0.23 0.00 0.00 176.35 174.44 2nnc s PRO 78 N -3.04 1.89 -1.44 1.29 0.04 -1.26 -4.04 135.00 128.44 2nnc s PRO 78 Ca 0.69 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.77 2nnc s PRO 78 Cb -0.26 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.46 2nnc s PRO 78 CO 0.30 -1.89 1.03 0.54 0.04 0.00 0.00 177.00 177.01 2nnc n ARG 79 N -3.69 -6.73 -0.32 4.56 3.00 -1.26 -4.90 116.66 107.33 2nnc n ARG 79 Ca 0.09 0.76 0.07 0.00 -0.01 0.00 0.00 57.85 58.76 2nnc n ARG 79 Cb 0.53 -5.74 0.21 0.00 0.00 0.00 0.00 32.46 27.46 2nnc n ARG 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2nnc n MET 80 N -4.75 2.88 -4.11 5.56 2.81 -1.26 -5.02 117.12 113.24 2nnc n MET 80 Ca 0.00 -2.48 -0.46 0.00 -1.81 0.00 0.00 57.70 52.96 2nnc n MET 80 Cb 0.56 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.50 2nnc n MET 80 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2nnc n LYS 81 N -0.10 -0.28 -2.51 0.03 5.02 -1.26 -4.86 118.16 114.20 2nnc n LYS 81 Ca 0.17 0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 56.12 2nnc n LYS 81 Cb 0.68 -2.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.07 2nnc n LYS 81 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2nnc s PRO 82 N -7.48 4.64 -0.04 1.97 0.04 -1.26 -5.03 135.00 127.84 2nnc s PRO 82 Ca 0.45 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2nnc s PRO 82 Cb -0.25 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.13 2nnc s PRO 82 CO 0.98 0.23 -0.07 -2.00 0.04 0.00 0.00 177.00 176.18 2nnc s GLU 83 N -1.46 1.04 -0.10 4.56 2.12 -1.26 -4.01 118.70 119.58 2nnc s GLU 83 Ca 0.45 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.58 2nnc s GLU 83 Cb -0.31 -0.96 0.01 0.00 0.26 0.00 0.00 34.13 33.13 2nnc s GLU 83 CO 0.40 -0.01 -0.17 0.54 -0.54 0.00 0.00 175.26 175.48 2nnc s VAL 84 N 0.65 1.60 0.08 3.70 0.11 0.07 -4.98 120.40 121.63 2nnc s VAL 84 Ca -0.10 -0.72 0.08 0.00 -2.93 0.00 0.00 61.98 58.31 2nnc s VAL 84 Cb -0.13 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2nnc s VAL 84 CO 0.01 0.46 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.60 2nnc s SER 85 N 0.76 3.73 0.11 3.54 0.01 -1.26 -1.16 113.70 119.43 2nnc s SER 85 Ca -0.11 -0.53 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 2nnc s SER 85 Cb -0.16 -0.52 0.07 0.00 0.21 0.00 0.00 66.02 65.62 2nnc s SER 85 CO 0.02 0.22 0.60 -1.48 0.41 0.00 0.00 173.24 173.00 2nnc s LEU 86 N -1.78 -0.51 -0.09 2.44 0.05 -0.71 -5.03 118.68 113.05 2nnc s LEU 86 Ca 0.16 0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.46 2nnc s LEU 86 Cb -0.10 2.53 -0.03 0.00 -2.05 0.00 0.00 46.19 46.54 2nnc s LEU 86 CO 0.07 -0.88 -0.08 0.00 -0.55 0.00 0.00 176.35 174.90 2nnc s ARG 87 N -3.21 3.02 -0.04 1.48 1.70 -1.26 -0.38 118.95 120.26 2nnc s ARG 87 Ca -0.01 -0.58 0.01 0.00 -0.47 0.00 0.00 55.73 54.67 2nnc s ARG 87 Cb -0.01 -2.64 0.02 0.00 -0.57 0.00 0.00 34.95 31.75 2nnc s ARG 87 CO -0.08 0.49 -0.05 0.00 -1.08 0.00 0.00 175.30 174.59 2nnc s MET 88 N -0.36 0.81 0.38 3.89 0.23 -0.58 -4.87 119.30 118.80 2nnc s MET 88 Ca 0.05 -0.11 -0.26 0.00 -1.03 0.00 0.00 55.69 54.34 2nnc s MET 88 Cb -0.12 -0.81 -0.09 0.00 -1.53 0.00 0.00 34.83 32.28 2nnc s MET 88 CO 0.02 -0.07 1.17 -0.98 -2.03 0.00 0.00 175.02 173.13 2nnc s ARG 89 N 0.86 4.15 -0.10 3.16 3.03 -1.26 -1.22 118.95 127.57 2nnc s ARG 89 Ca -0.12 1.85 -0.03 0.00 2.03 0.00 0.00 55.73 59.46 2nnc s ARG 89 Cb -0.14 -2.76 0.04 0.00 -1.03 0.00 0.00 34.95 31.06 2nnc s ARG 89 CO 0.00 -0.24 0.06 -1.64 -1.13 0.00 0.00 175.30 172.35 2nnc s MET 90 N -2.17 0.14 0.41 3.89 -1.94 -1.14 -4.95 119.30 113.53 2nnc s MET 90 Ca 0.55 0.12 0.22 0.00 -1.71 0.00 0.00 55.69 54.88 2nnc s MET 90 Cb -0.31 -1.13 0.64 0.00 2.01 0.00 0.00 34.83 36.05 2nnc s MET 90 CO 0.39 -0.46 1.71 0.00 -0.01 0.00 0.00 175.02 176.65 2nnc h ALA 91 N 8.40 0.92 -2.97 3.03 0.00 -1.92 -2.90 119.26 123.82 2nnc h ALA 91 Ca -0.15 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2nnc h ALA 91 Cb 1.13 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2nnc h ALA 91 CO 0.23 0.31 0.16 -1.59 0.00 0.00 0.00 179.25 178.36 2nnc s LYS 92 N -3.41 1.82 0.30 0.00 0.00 -1.26 -4.59 119.74 112.60 2nnc s LYS 92 Ca 0.02 -1.14 -0.29 0.00 0.00 0.00 0.00 55.97 54.56 2nnc s LYS 92 Cb 0.09 0.58 -0.13 0.00 0.00 0.00 0.00 37.83 38.37 2nnc s LYS 92 CO 0.66 -0.82 1.33 -2.37 0.00 0.00 0.00 175.35 174.15 2nnc n THR 93 N -0.46 1.55 -3.46 3.79 5.66 -1.24 -4.75 114.28 115.36 2nnc n THR 93 Ca -0.04 -0.39 -0.11 0.00 -3.05 0.00 0.00 64.05 60.46 2nnc n THR 93 Cb 0.60 -1.51 -0.02 0.00 -1.55 0.00 0.00 70.33 67.84 2nnc n THR 93 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2nnc s GLU 94 N -1.23 1.08 0.07 1.09 -1.05 -0.84 -4.94 118.70 112.87 2nnc s GLU 94 Ca 0.61 -0.36 -0.17 0.00 -0.15 0.00 0.00 54.97 54.90 2nnc s GLU 94 Cb -0.61 0.50 -0.06 0.00 -0.44 0.00 0.00 34.13 33.52 2nnc s GLU 94 CO 0.57 -0.46 0.52 -0.80 0.95 0.00 0.00 175.26 176.03 2nnc s ASN 95 N -2.54 6.95 -0.25 0.83 0.01 -1.26 -1.71 114.94 116.97 2nnc s ASN 95 Ca 0.02 1.15 -0.10 0.00 -0.71 0.00 0.00 52.86 53.22 2nnc s ASN 95 Cb -0.01 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 2nnc s ASN 95 CO -0.10 0.26 0.15 -0.76 -1.51 0.00 0.00 177.10 175.14 2nnc s LEU 96 N -1.25 3.94 -0.15 0.60 1.43 0.55 -4.33 118.68 119.47 2nnc s LEU 96 Ca 0.29 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2nnc s LEU 96 Cb -0.18 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 2nnc s LEU 96 CO 0.17 0.01 -0.09 -0.69 0.23 0.00 0.00 176.35 175.99 2nnc s VAL 97 N 1.36 3.30 -0.14 -1.59 1.01 -0.32 -1.04 120.40 122.98 2nnc s VAL 97 Ca 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2nnc s VAL 97 Cb -0.15 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2nnc s VAL 97 CO 0.06 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 2nnc s VAL 98 N 0.54 3.02 -0.14 2.92 1.01 -0.26 0.35 120.40 127.85 2nnc s VAL 98 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2nnc s VAL 98 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2nnc s VAL 98 CO 0.03 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.81 2nnc s VAL 99 N 0.54 2.78 -0.09 2.92 1.01 -0.62 -1.44 120.40 125.50 2nnc s VAL 99 Ca -0.08 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2nnc s VAL 99 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2nnc s VAL 99 CO 0.04 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.88 2nnc s VAL 100 N 0.60 3.48 -0.20 2.92 1.01 0.13 -1.17 120.40 127.18 2nnc s VAL 100 Ca -0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 2nnc s VAL 100 Cb -0.16 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 2nnc s VAL 100 CO 0.03 0.56 0.06 -1.58 0.00 0.00 0.00 175.10 174.17 2nnc s GLN 101 N -0.31 3.88 -0.11 2.72 0.74 -0.48 -0.13 119.66 125.97 2nnc s GLN 101 Ca 0.04 -0.39 -0.05 0.00 0.05 0.00 0.00 55.36 55.01 2nnc s GLN 101 Cb -0.13 -3.22 0.05 0.00 1.10 0.00 0.00 33.01 30.81 2nnc s GLN 101 CO 0.02 0.17 0.25 0.00 -0.55 0.00 0.00 175.29 175.18 2nnc s ALA 102 N 0.65 -0.57 0.00 1.58 0.00 -0.37 -1.39 121.76 121.66 2nnc s ALA 102 Ca 0.03 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2nnc s ALA 102 Cb -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2nnc s ALA 102 CO 0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2nnc n GLY 103 N 4.18 3.15 2.65 0.00 0.00 -1.23 -2.02 105.19 111.91 2nnc n GLY 103 Ca -0.25 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2nnc n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nnc n GLY 104 N 0.00 5.75 3.21 -0.02 0.00 -1.26 -4.98 105.19 107.89 2nnc n GLY 104 Ca 0.00 -2.51 -0.13 0.00 0.00 0.00 0.00 46.02 43.38 2nnc n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nnc s LYS 105 N -3.89 0.51 -0.09 1.61 1.02 -0.86 -5.02 119.74 113.02 2nnc s LYS 105 Ca 0.54 0.07 -0.03 0.00 0.02 0.00 0.00 55.97 56.57 2nnc s LYS 105 Cb 0.44 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.95 2nnc s LYS 105 CO -0.26 -0.11 0.02 -0.51 -0.92 0.00 0.00 175.35 173.57 2nnc s LEU 106 N -0.66 3.66 -0.03 3.17 1.43 -1.24 -1.23 118.68 123.78 2nnc s LEU 106 Ca -0.08 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2nnc s LEU 106 Cb -0.04 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 2nnc s LEU 106 CO 0.02 0.37 -0.14 -0.31 0.23 0.00 0.00 176.35 176.53 2nnc s TYR 107 N -0.84 1.35 0.02 0.29 1.51 0.82 -1.60 117.35 118.91 2nnc s TYR 107 Ca 0.13 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 2nnc s TYR 107 Cb -0.11 -0.91 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 2nnc s TYR 107 CO 0.02 -0.10 -0.15 0.50 -1.11 0.00 0.00 175.55 174.71 2nnc s ARG 108 N -0.01 1.08 0.05 -0.62 3.52 0.12 0.21 118.95 123.30 2nnc s ARG 108 Ca -0.01 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 54.90 2nnc s ARG 108 Cb -0.09 -1.07 -0.02 0.00 -1.56 0.00 0.00 34.95 32.21 2nnc s ARG 108 CO 0.01 0.28 0.05 0.00 -0.81 0.00 0.00 175.30 174.83 2nnc s ALA 109 N -0.60 0.17 0.01 6.12 0.00 -0.52 -0.49 121.76 126.45 2nnc s ALA 109 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2nnc s ALA 109 Cb -0.07 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2nnc s ALA 109 CO 0.00 -0.38 -0.03 0.54 0.00 0.00 0.00 175.76 175.90 2nnc s VAL 110 N -3.45 0.17 -0.02 0.00 0.11 -1.26 -1.10 120.40 114.85 2nnc s VAL 110 Ca 0.02 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 2nnc s VAL 110 Cb 0.04 -0.21 0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2nnc s VAL 110 CO -0.08 -0.18 -0.01 -0.60 -3.33 0.00 0.00 175.10 170.90 2nnc s ARG 111 N -0.65 0.25 0.18 1.54 3.52 -0.20 -4.98 118.95 118.60 2nnc s ARG 111 Ca -0.06 0.01 -0.16 0.00 -0.13 0.00 0.00 55.73 55.39 2nnc s ARG 111 Cb -0.05 -0.35 -0.07 0.00 -1.56 0.00 0.00 34.95 32.92 2nnc s ARG 111 CO -0.00 -0.05 0.61 -2.00 -0.81 0.00 0.00 175.30 173.04 2nnc s GLU 112 N 0.56 4.05 -0.11 5.12 2.12 -1.26 -0.33 118.70 128.85 2nnc s GLU 112 Ca -0.05 0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.90 2nnc s GLU 112 Cb -0.08 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.44 2nnc s GLU 112 CO -0.01 0.43 -0.19 0.08 -0.54 0.00 0.00 175.26 175.03 2nnc s VAL 113 N -1.53 1.74 0.11 3.70 1.01 -0.69 -4.88 120.40 119.85 2nnc s VAL 113 Ca 0.41 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2nnc s VAL 113 Cb -0.15 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.61 2nnc s VAL 113 CO 0.20 0.49 0.59 -1.59 0.00 0.00 0.00 175.10 174.78 2nnc s LYS 114 N 0.76 4.16 0.00 2.72 0.00 -0.95 -1.99 119.74 124.44 2nnc s LYS 114 Ca -0.10 0.70 0.00 0.00 0.00 0.00 0.00 55.97 56.56 2nnc s LYS 114 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 37.83 34.56 2nnc s LYS 114 CO 0.01 0.56 0.00 1.33 0.00 0.00 0.00 175.35 177.26