#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -9.04 -1.53 0.00 8.00 -1.26 -4.74 116.55 107.98 1cey n ASP 3 Ca 0.00 1.52 -0.08 0.00 0.71 0.00 0.00 54.79 56.94 1cey n ASP 3 Cb 0.00 -5.04 0.13 0.00 -0.02 0.00 0.00 41.12 36.19 1cey n ASP 3 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1cey n LYS 4 N 1.84 2.04 -2.33 -1.24 2.85 -1.26 -4.03 118.16 116.02 1cey n LYS 4 Ca 0.00 -1.59 -0.00 0.00 -1.05 0.00 0.00 58.31 55.67 1cey n LYS 4 Cb 0.00 -1.69 0.05 0.00 -0.65 0.00 0.00 35.03 32.73 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cey n GLU 5 N -0.17 1.11 -2.78 -1.58 1.02 -1.26 -3.69 120.64 113.29 1cey n GLU 5 Ca 0.27 -2.48 -0.39 0.00 -0.02 0.00 0.00 57.16 54.53 1cey n GLU 5 Cb 1.01 -0.65 -0.06 0.00 -0.02 0.00 0.00 31.44 31.72 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -2.66 4.57 -0.00 -4.62 2.96 -1.26 -4.89 118.68 112.77 1cey s LEU 6 Ca 0.23 1.89 -0.30 0.00 -0.22 0.00 0.00 54.13 55.73 1cey s LEU 6 Cb 0.33 -3.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1cey s LEU 6 CO -0.08 0.11 0.98 -0.54 -1.32 0.00 0.00 176.35 175.50 1cey s LYS 7 N -1.39 4.56 0.15 1.98 1.02 -1.26 -4.59 119.74 120.20 1cey s LYS 7 Ca 0.43 1.42 0.11 0.00 0.02 0.00 0.00 55.97 57.94 1cey s LYS 7 Cb -0.24 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 1cey s LYS 7 CO 0.29 -0.06 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.38 1cey s PHE 8 N 1.04 2.38 -0.23 3.18 0.40 -0.96 -0.88 117.98 122.91 1cey s PHE 8 Ca 0.52 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 1cey s PHE 8 Cb -0.21 -1.24 0.06 0.00 0.51 0.00 0.00 43.02 42.14 1cey s PHE 8 CO 0.28 0.41 -0.04 -1.17 0.70 0.00 0.00 175.22 175.40 1cey s LEU 9 N -2.31 2.37 -0.35 -0.37 2.96 -0.77 -1.75 118.68 118.45 1cey s LEU 9 Ca 0.18 -1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 52.81 1cey s LEU 9 Cb -0.09 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.50 1cey s LEU 9 CO 0.09 -0.25 0.30 0.68 -1.32 0.00 0.00 176.35 175.85 1cey s VAL 10 N 1.46 5.23 -0.34 1.68 -7.23 -1.06 -0.17 120.40 119.96 1cey s VAL 10 Ca -0.05 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 59.89 1cey s VAL 10 Cb -0.19 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.01 1cey s VAL 10 CO -0.07 -0.10 0.11 -0.69 -0.31 0.00 0.00 175.10 174.04 1cey s VAL 11 N 1.85 3.63 -0.27 1.32 1.01 -0.99 -2.56 120.40 124.40 1cey s VAL 11 Ca 0.08 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.68 1cey s VAL 11 Cb -0.17 -3.11 0.10 0.00 0.00 0.00 0.00 36.38 33.20 1cey s VAL 11 CO 0.11 -0.23 0.61 -0.62 0.00 0.00 0.00 175.10 174.96 1cey s ASP 12 N 1.47 -0.89 0.48 3.32 2.15 -1.21 -4.14 116.67 117.85 1cey s ASP 12 Ca -0.01 1.41 0.17 0.00 0.43 0.00 0.00 52.55 54.54 1cey s ASP 12 Cb -0.20 1.71 1.14 0.00 -0.30 0.00 0.00 42.92 45.27 1cey s ASP 12 CO 0.01 -0.23 2.05 -2.24 -0.17 0.00 0.00 175.17 174.59 1cey h ASP 13 N 7.61 0.00 -2.25 -0.34 2.03 -1.83 -3.44 116.42 118.20 1cey h ASP 13 Ca -0.24 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.45 1cey h ASP 13 Cb 1.15 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.76 1cey h ASP 13 CO 0.14 0.13 0.08 0.33 -1.03 0.00 0.00 179.24 178.90 1cey n PHE 14 N -4.28 1.10 -0.34 4.15 -0.00 -1.26 -4.83 117.46 112.00 1cey n PHE 14 Ca -0.03 0.73 0.00 0.00 -0.00 0.00 0.00 57.45 58.15 1cey n PHE 14 Cb 0.20 -2.23 0.24 0.00 -0.00 0.00 0.00 39.48 37.70 1cey n PHE 14 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1cey n SER 15 N 1.42 4.08 0.00 -2.13 3.41 -1.26 -3.98 113.62 115.15 1cey n SER 15 Ca 0.11 -2.74 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1cey n SER 15 Cb 0.30 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1cey n SER 15 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1cey n THR 16 N 0.19 0.00 -0.07 6.66 -2.24 -1.26 -4.85 114.28 112.71 1cey n THR 16 Ca 0.24 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.88 1cey n THR 16 Cb 0.99 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 69.49 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1cey h MET 17 N 0.00 0.84 -0.37 -0.78 -1.53 -1.93 -3.01 114.93 108.15 1cey h MET 17 Ca 0.00 -0.51 -0.07 0.00 -3.44 0.00 0.00 59.70 55.68 1cey h MET 17 Cb 0.00 0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.08 1cey h MET 17 CO 0.00 1.15 -0.05 0.07 0.14 0.00 0.00 176.91 178.21 1cey h ARG 18 N 0.65 0.61 0.00 0.39 0.11 -1.88 -1.97 114.38 112.29 1cey h ARG 18 Ca 0.02 -0.16 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 1cey h ARG 18 Cb 1.11 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 1cey h ARG 18 CO 0.11 0.67 -0.05 -0.09 0.10 0.00 0.00 179.97 180.71 1cey h ARG 19 N 0.57 0.00 -0.02 0.08 2.43 -1.86 -1.37 114.38 114.21 1cey h ARG 19 Ca 0.11 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1cey h ARG 19 Cb 0.44 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1cey h ARG 19 CO 0.02 0.05 -0.46 0.82 -1.51 0.00 0.00 179.97 178.88 1cey h ILE 20 N 0.00 1.45 -0.01 1.20 2.04 -1.24 -3.26 117.51 117.70 1cey h ILE 20 Ca -0.00 -1.96 -0.23 0.00 1.00 0.00 0.00 64.86 63.67 1cey h ILE 20 Cb 0.48 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1cey h ILE 20 CO 0.01 0.56 -0.94 -0.37 0.00 0.00 0.00 178.15 177.41 1cey h VAL 21 N -0.18 1.38 -0.51 1.67 -1.51 -1.46 -2.72 116.25 112.92 1cey h VAL 21 Ca -0.05 -2.40 0.10 0.00 -1.23 0.00 0.00 66.70 63.12 1cey h VAL 21 Cb 1.17 2.39 -0.11 0.00 -2.13 0.00 0.00 31.29 32.61 1cey h VAL 21 CO 0.09 0.72 -0.28 0.03 -1.23 0.00 0.00 177.57 176.91 1cey h ARG 22 N 0.26 -0.15 0.53 5.19 3.08 -1.34 0.13 114.38 122.08 1cey h ARG 22 Ca -0.08 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1cey h ARG 22 Cb 1.58 0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.67 1cey h ARG 22 CO 0.17 -0.10 -0.25 -0.97 -1.07 0.00 0.00 179.97 177.74 1cey h ASN 23 N -0.15 -0.60 -0.92 7.04 -0.73 -1.62 -1.93 115.58 116.68 1cey h ASN 23 Ca 0.23 -0.06 0.08 0.00 1.87 0.00 0.00 56.30 58.42 1cey h ASN 23 Cb 0.52 0.16 -0.11 0.00 0.27 0.00 0.00 38.32 39.15 1cey h ASN 23 CO -0.61 -0.23 -0.55 0.25 -0.37 0.00 0.00 177.43 175.92 1cey h LEU 24 N -1.02 -2.02 -0.51 0.34 5.85 -1.08 0.55 115.31 117.43 1cey h LEU 24 Ca -0.07 0.31 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1cey h LEU 24 Cb 0.62 0.89 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 1cey h LEU 24 CO 0.12 -0.22 0.23 -0.07 -0.34 0.00 0.00 178.44 178.16 1cey h LEU 25 N -0.01 0.30 -1.48 2.25 3.38 -0.82 -0.02 115.31 118.91 1cey h LEU 25 Ca 0.15 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1cey h LEU 25 Cb 0.39 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1cey h LEU 25 CO -0.87 0.21 0.49 0.50 0.09 0.00 0.00 178.44 178.86 1cey h LYS 26 N 0.45 0.54 -0.46 1.13 3.64 0.61 0.15 116.57 122.62 1cey h LYS 26 Ca 0.23 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.71 1cey h LYS 26 Cb 0.18 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1cey h LYS 26 CO -0.19 0.36 0.39 1.49 -2.27 0.00 0.00 179.45 179.22 1cey h GLU 27 N 0.55 0.00 0.07 1.90 4.22 0.19 -0.14 114.58 121.37 1cey h GLU 27 Ca 0.35 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 59.51 1cey h GLU 27 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1cey h GLU 27 CO -0.13 0.00 -1.49 -0.07 -2.18 0.00 0.00 179.01 175.14 1cey h LEU 28 N 0.00 0.23 0.00 1.64 4.07 -0.70 -3.48 115.31 117.07 1cey h LEU 28 Ca 0.22 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1cey h LEU 28 Cb 0.99 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1cey h LEU 28 CO -0.00 1.29 0.00 0.61 -1.08 0.00 0.00 178.44 179.25 1cey n GLY 29 N 1.60 0.00 3.82 0.83 0.00 -0.07 -4.98 105.19 106.40 1cey n GLY 29 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N -0.76 3.75 0.00 1.61 0.08 -1.17 -4.46 117.98 117.03 1cey s PHE 30 Ca 0.00 1.21 0.18 0.00 0.12 0.00 0.00 56.93 58.44 1cey s PHE 30 Cb 0.00 -2.46 0.30 0.00 -0.57 0.00 0.00 43.02 40.29 1cey s PHE 30 CO 0.00 0.55 1.10 -1.71 -0.10 0.00 0.00 175.22 175.06 1cey n ASN 31 N 1.50 0.53 -3.65 1.36 4.05 -1.26 -3.81 115.26 113.98 1cey n ASN 31 Ca -0.09 -1.97 -0.29 0.00 0.45 0.00 0.00 54.58 52.68 1cey n ASN 31 Cb 0.51 -0.19 -0.12 0.00 1.23 0.00 0.00 39.78 41.21 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1cey s ASN 32 N -1.66 3.41 0.05 1.20 3.84 -1.26 -5.10 114.94 115.41 1cey s ASN 32 Ca 0.23 -2.69 0.01 0.00 0.21 0.00 0.00 52.86 50.63 1cey s ASN 32 Cb 0.27 -0.92 -0.03 0.00 -0.55 0.00 0.00 41.25 40.02 1cey s ASN 32 CO -0.12 -0.25 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.19 1cey s VAL 33 N 0.31 0.44 0.17 -5.21 1.01 -1.26 -2.27 120.40 113.59 1cey s VAL 33 Ca 0.20 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1cey s VAL 33 Cb -0.20 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 1cey s VAL 33 CO -0.03 -0.58 0.03 -0.62 0.00 0.00 0.00 175.10 173.90 1cey n GLU 34 N 1.02 1.15 -3.75 2.72 -0.58 -0.72 -4.96 120.64 115.53 1cey n GLU 34 Ca -0.20 -1.34 -0.13 0.00 -0.42 0.00 0.00 57.16 55.06 1cey n GLU 34 Cb 0.57 0.55 -0.09 0.00 -0.57 0.00 0.00 31.44 31.90 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1cey s GLU 35 N -2.64 0.64 0.28 3.49 2.12 -1.26 -2.57 118.70 118.77 1cey s GLU 35 Ca 0.04 -0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.37 1cey s GLU 35 Cb 0.00 0.29 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 1cey s GLU 35 CO 0.03 -0.17 -0.00 0.00 -0.54 0.00 0.00 175.26 174.58 1cey s ALA 36 N -1.05 2.20 -2.20 6.30 0.00 -1.06 -4.97 121.76 120.97 1cey s ALA 36 Ca -0.11 -1.91 0.25 0.00 0.00 0.00 0.00 51.96 50.19 1cey s ALA 36 Cb -0.04 0.43 0.51 0.00 0.00 0.00 0.00 23.12 24.02 1cey s ALA 36 CO 0.04 -0.20 1.42 0.39 0.00 0.00 0.00 175.76 177.41 1cey n GLU 37 N -0.57 1.37 0.00 0.00 -0.58 -1.26 -3.34 120.64 116.26 1cey n GLU 37 Ca -0.04 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 1cey n GLU 37 Cb 0.65 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1cey n ASP 38 N 0.04 0.00 -0.15 1.62 5.68 -1.26 -4.23 116.55 118.25 1cey n ASP 38 Ca 0.13 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.39 1cey n ASP 38 Cb 0.43 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.46 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 39 N 0.00 0.50 0.40 6.12 0.00 -1.92 0.22 103.07 108.40 1cey h GLY 39 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.49 1cey h GLY 39 CO 0.00 -0.12 0.43 -2.08 0.00 0.00 0.00 176.54 174.77 1cey h VAL 40 N 0.13 0.83 0.04 4.60 2.07 -1.94 0.19 116.25 122.16 1cey h VAL 40 Ca 0.24 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1cey h VAL 40 Cb 0.35 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1cey h VAL 40 CO -0.38 0.12 -0.02 -0.78 0.02 0.00 0.00 177.57 176.54 1cey h ASP 41 N 0.68 -0.04 -0.37 0.57 1.82 -1.28 -2.50 116.42 115.30 1cey h ASP 41 Ca 0.41 -0.19 0.07 0.00 -0.39 0.00 0.00 57.03 56.93 1cey h ASP 41 Cb 0.47 0.01 -0.06 0.00 0.68 0.00 0.00 39.33 40.42 1cey h ASP 41 CO -0.29 0.17 -0.04 0.00 -1.61 0.00 0.00 179.24 177.46 1cey h ALA 42 N 0.71 0.30 -0.86 -0.78 0.00 0.53 0.16 119.26 119.32 1cey h ALA 42 Ca -0.00 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.20 1cey h ALA 42 Cb 0.23 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1cey h ALA 42 CO 0.01 -0.42 0.56 1.25 0.00 0.00 0.00 179.25 180.65 1cey h LEU 43 N 0.06 0.47 0.09 0.00 5.85 -0.51 1.18 115.31 122.44 1cey h LEU 43 Ca 0.18 0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.68 1cey h LEU 43 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1cey h LEU 43 CO -0.34 0.22 -1.22 0.78 -0.34 0.00 0.00 178.44 177.54 1cey h ASN 44 N 0.49 0.28 0.62 1.25 2.35 -0.46 -3.30 115.58 116.81 1cey h ASN 44 Ca 0.44 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1cey h ASN 44 Cb 0.95 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1cey h ASN 44 CO -0.17 1.25 -0.63 1.17 -1.65 0.00 0.00 177.43 177.40 1cey n LYS 45 N -3.46 0.15 0.31 0.81 4.81 0.32 -3.84 118.16 117.27 1cey n LYS 45 Ca -0.07 0.03 0.20 0.00 -0.87 0.00 0.00 58.31 57.60 1cey n LYS 45 Cb 1.00 -1.58 1.02 0.00 0.02 0.00 0.00 35.03 35.49 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1cey h LEU 46 N 0.00 0.00 0.00 3.14 -0.00 0.13 0.71 115.31 119.28 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1cey h LEU 46 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1cey h LEU 46 CO 0.00 0.01 0.00 1.67 -0.00 0.00 0.00 178.44 180.12 1cey n GLN 47 N -3.16 0.95 0.00 1.13 7.27 -1.25 -3.93 117.38 118.39 1cey n GLN 47 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1cey n GLN 47 Cb 0.15 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey n ALA 48 N -0.94 -0.04 -1.69 1.69 0.00 0.24 -4.62 120.51 115.15 1cey n ALA 48 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1cey n ALA 48 Cb 0.09 0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.89 -0.29 0.50 0.00 0.00 -1.26 -5.06 105.19 98.19 1cey n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 0.16 3.56 -0.02 0.00 -1.25 -4.92 105.19 102.71 1cey n GLY 50 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.31 1.08 -0.26 1.61 2.02 -1.26 -4.72 117.35 115.51 1cey s TYR 51 Ca 0.00 1.36 0.07 0.00 -0.37 0.00 0.00 57.07 58.13 1cey s TYR 51 Cb 0.00 -3.65 0.36 0.00 -0.40 0.00 0.00 41.96 38.27 1cey s TYR 51 CO 0.00 -2.86 1.04 0.41 -1.57 0.00 0.00 175.55 172.57 1cey n GLY 52 N 5.96 -0.45 3.36 0.71 0.00 -1.23 -4.31 105.19 109.23 1cey n GLY 52 Ca 0.35 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 1cey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cey s PHE 53 N -2.96 -0.62 -0.13 1.61 5.36 -0.06 -3.93 117.98 117.26 1cey s PHE 53 Ca -0.01 1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 57.33 1cey s PHE 53 Cb 0.02 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1cey s PHE 53 CO 0.06 -0.32 -0.04 0.08 -1.46 0.00 0.00 175.22 173.54 1cey s VAL 54 N 0.90 0.85 -0.27 3.12 1.01 -1.07 -1.85 120.40 123.10 1cey s VAL 54 Ca -0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1cey s VAL 54 Cb -0.06 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1cey s VAL 54 CO -0.07 0.22 0.14 -0.63 0.00 0.00 0.00 175.10 174.75 1cey s ILE 55 N 1.76 4.83 -0.01 2.22 1.01 0.76 -2.18 121.20 129.59 1cey s ILE 55 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1cey s ILE 55 Cb -0.14 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 1cey s ILE 55 CO -0.07 0.27 0.04 -0.94 0.00 0.00 0.00 174.94 174.24 1cey s SER 56 N 1.69 0.04 0.00 3.58 1.04 -1.25 -2.34 113.70 116.45 1cey s SER 56 Ca 0.07 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1cey s SER 56 Cb -0.16 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1cey s SER 56 CO 0.07 -0.14 0.00 -0.90 0.98 0.00 0.00 173.24 173.25 1cey n ASP 57 N 2.44 0.00 0.00 7.02 5.75 -1.26 -2.13 116.55 128.36 1cey n ASP 57 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1cey n ASP 57 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1cey n TRP 58 N 0.00 0.00 -2.25 2.11 -0.00 -1.26 -3.84 117.44 112.20 1cey n TRP 58 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.10 1cey n TRP 58 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.32 1cey n TRP 58 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1cey n ASN 59 N -0.33 7.59 -4.28 5.87 3.02 -1.26 -3.30 115.26 122.57 1cey n ASN 59 Ca 0.00 -3.45 -0.34 0.00 -0.03 0.00 0.00 54.58 50.76 1cey n ASN 59 Cb 0.00 -1.24 0.09 0.00 -0.61 0.00 0.00 39.78 38.01 1cey n ASN 59 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1cey n MET 60 N 0.67 -0.14 -0.10 3.52 0.00 -1.23 -4.84 117.12 115.01 1cey n MET 60 Ca 0.54 -0.01 -0.06 0.00 0.00 0.00 0.00 57.70 58.17 1cey n MET 60 Cb 0.27 -1.55 0.01 0.00 0.00 0.00 0.00 33.22 31.96 1cey n MET 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1cey h PRO 61 N -1.24 0.16 0.00 3.17 0.10 -1.95 -3.39 132.00 128.85 1cey h PRO 61 Ca -0.44 -0.01 0.00 0.00 0.10 0.00 0.00 66.00 65.65 1cey h PRO 61 Cb 1.30 -0.04 0.00 0.00 0.10 0.00 0.00 31.00 32.36 1cey h PRO 61 CO 0.31 0.10 0.00 0.09 0.10 0.00 0.00 178.00 178.61 1cey n ASN 62 N -5.12 0.00 0.00 -2.05 5.03 -1.26 -5.02 115.26 106.84 1cey n ASN 62 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1cey n ASN 62 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1cey n MET 63 N 0.00 0.00 -3.15 3.52 2.81 -1.26 -5.13 117.12 113.91 1cey n MET 63 Ca 0.00 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 1cey n MET 63 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1cey n ASP 64 N 0.00 -0.55 -1.00 7.83 5.68 -1.26 -3.56 116.55 123.68 1cey n ASP 64 Ca 0.00 -2.19 0.07 0.00 -0.50 0.00 0.00 54.79 52.17 1cey n ASP 64 Cb 0.00 1.15 0.22 0.00 -1.14 0.00 0.00 41.12 41.36 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 65 N -0.35 1.52 0.21 6.12 0.00 -1.21 -4.35 105.19 107.12 1cey n GLY 65 Ca 0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 2.74 -0.41 -1.25 0.99 7.12 -1.96 -1.95 115.31 120.60 1cey h LEU 66 Ca 0.00 0.01 0.26 0.00 0.13 0.00 0.00 57.88 58.28 1cey h LEU 66 Cb 0.83 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.96 1cey h LEU 66 CO 0.07 -0.11 0.65 -0.08 -0.13 0.00 0.00 178.44 178.85 1cey h GLU 67 N -0.85 0.44 -0.78 1.25 4.81 -1.98 0.94 114.58 118.41 1cey h GLU 67 Ca -0.05 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1cey h GLU 67 Cb 0.37 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.59 1cey h GLU 67 CO 0.08 0.29 0.47 1.25 -0.73 0.00 0.00 179.01 180.37 1cey h LEU 68 N 0.45 0.73 0.15 1.64 5.85 -1.76 -0.11 115.31 122.27 1cey h LEU 68 Ca 0.61 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.34 1cey h LEU 68 Cb 1.42 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1cey h LEU 68 CO -0.35 0.48 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.08 1cey h LEU 69 N 0.87 -0.17 -1.51 2.25 3.38 0.15 -2.84 115.31 117.45 1cey h LEU 69 Ca 0.34 0.01 0.49 0.00 0.09 0.00 0.00 57.88 58.81 1cey h LEU 69 Cb 0.15 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 1cey h LEU 69 CO -0.16 0.13 0.99 0.50 0.09 0.00 0.00 178.44 179.98 1cey h LYS 70 N -0.71 0.01 -0.12 1.13 3.64 -0.60 2.33 116.57 122.25 1cey h LYS 70 Ca -0.02 -0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1cey h LYS 70 Cb 0.16 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1cey h LYS 70 CO 0.03 0.01 -0.73 1.15 -2.27 0.00 0.00 179.45 177.64 1cey h THR 71 N 0.01 1.33 0.00 1.00 2.02 -1.06 -2.60 112.91 113.61 1cey h THR 71 Ca 0.89 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 1cey h THR 71 Cb 3.00 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 71.42 1cey h THR 71 CO -0.38 0.63 -0.01 0.40 0.37 0.00 0.00 175.52 176.53 1cey h ILE 72 N 0.41 0.15 -0.18 3.11 2.04 0.42 0.35 117.51 123.80 1cey h ILE 72 Ca -0.03 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1cey h ILE 72 Cb 1.32 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1cey h ILE 72 CO 0.14 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.83 1cey n ARG 73 N -3.28 1.67 0.00 2.37 5.12 -0.80 -3.74 116.66 118.00 1cey n ARG 73 Ca -0.03 -1.01 0.00 0.00 -1.93 0.00 0.00 57.85 54.88 1cey n ARG 73 Cb 0.10 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cey n ALA 74 N 0.25 1.81 -1.00 7.54 0.00 0.11 -4.74 120.51 124.48 1cey n ALA 74 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1cey n ALA 74 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1cey n ALA 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cey n ASP 75 N -1.39 0.00 -3.14 0.00 8.00 -0.43 -4.93 116.55 114.66 1cey n ASP 75 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cey n ASP 75 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 76 N 0.00 -2.81 2.18 0.44 0.00 -1.26 -4.70 105.19 99.03 1cey n GLY 76 Ca 0.00 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.90 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -2.49 6.44 -0.02 4.61 0.00 -1.26 -4.45 120.51 123.33 1cey n ALA 77 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 53.44 51.13 1cey n ALA 77 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N 1.95 0.00 -0.94 0.00 2.81 -1.26 -4.85 117.12 114.82 1cey n MET 78 Ca 0.46 0.24 -0.04 0.00 -1.81 0.00 0.00 57.70 56.56 1cey n MET 78 Cb 0.77 -0.74 -0.02 0.00 -0.71 0.00 0.00 33.22 32.53 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -2.23 -1.21 0.00 7.83 2.88 -1.25 -4.36 113.62 115.28 1cey n SER 79 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1cey n SER 79 Cb 0.00 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.08 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N -0.34 0.00 -1.57 -1.46 0.00 -1.26 -4.99 120.51 110.89 1cey n ALA 80 Ca -0.04 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.92 1cey n ALA 80 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1cey n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cey n LEU 81 N 0.00 2.85 -4.78 0.00 7.94 -1.26 -4.87 117.00 116.87 1cey n LEU 81 Ca 0.00 0.56 -0.41 0.00 -1.11 0.00 0.00 56.01 55.05 1cey n LEU 81 Cb 0.16 -1.37 -0.00 0.00 0.53 0.00 0.00 43.42 42.74 1cey n LEU 81 CO 0.00 -0.49 1.12 -2.84 -1.11 0.00 0.00 177.39 174.07 1cey s PRO 82 N 5.49 4.08 -0.07 1.96 0.02 -1.25 -4.87 135.00 140.35 1cey s PRO 82 Ca 1.02 2.53 0.02 0.00 0.02 0.00 0.00 61.00 64.58 1cey s PRO 82 Cb -0.68 -2.94 0.02 0.00 0.02 0.00 0.00 34.50 30.91 1cey s PRO 82 CO 0.47 -0.54 -0.10 0.08 -0.33 0.00 0.00 177.00 176.58 1cey s VAL 83 N -1.13 1.01 -0.94 3.83 1.01 -1.13 -2.59 120.40 120.46 1cey s VAL 83 Ca 0.53 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1cey s VAL 83 Cb -0.46 -0.96 0.24 0.00 0.00 0.00 0.00 36.38 35.20 1cey s VAL 83 CO 0.62 0.34 0.91 -0.11 0.00 0.00 0.00 175.10 176.85 1cey n LEU 84 N 4.08 4.62 -4.72 3.92 7.94 -0.93 -0.19 117.00 131.72 1cey n LEU 84 Ca -0.21 -5.15 -0.42 0.00 -1.11 0.00 0.00 56.01 49.13 1cey n LEU 84 Cb 0.51 -1.15 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 1cey n LEU 84 CO 0.23 1.57 0.93 -0.04 -1.11 0.00 0.00 177.39 178.97 1cey s MET 85 N -1.59 4.43 -0.05 1.96 -1.94 0.23 -3.96 119.30 118.38 1cey s MET 85 Ca 0.29 1.89 0.03 0.00 -1.71 0.00 0.00 55.69 56.20 1cey s MET 85 Cb -0.05 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.49 1cey s MET 85 CO -0.09 -0.23 -0.12 0.14 -0.01 0.00 0.00 175.02 174.70 1cey s VAL 86 N 0.58 3.22 0.26 -6.03 -7.23 -0.91 -2.46 120.40 107.84 1cey s VAL 86 Ca 0.58 -0.68 -0.10 0.00 -1.81 0.00 0.00 61.98 59.97 1cey s VAL 86 Cb -0.33 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.33 1cey s VAL 86 CO 0.33 0.58 0.44 0.28 -0.31 0.00 0.00 175.10 176.43 1cey s THR 87 N -0.76 0.00 0.00 5.32 -1.32 -1.00 -4.19 115.64 113.69 1cey s THR 87 Ca 0.12 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.10 1cey s THR 87 Cb -0.11 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 1cey s THR 87 CO 0.01 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.42 1cey n ALA 88 N -0.40 0.00 -0.03 11.08 0.00 -1.26 0.88 120.51 130.78 1cey n ALA 88 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1cey n ALA 88 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 1cey n ALA 88 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1cey h GLU 89 N 0.00 -0.17 -4.23 0.00 4.11 -2.00 -3.44 114.58 108.85 1cey h GLU 89 Ca 0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.45 1cey h GLU 89 Cb 0.00 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 1cey h GLU 89 CO 0.00 -0.11 -1.00 0.00 0.07 0.00 0.00 179.01 177.96 1cey n ALA 90 N -2.80 -3.46 -2.60 1.06 0.00 -1.26 -4.95 120.51 106.50 1cey n ALA 90 Ca -0.02 1.53 -0.39 0.00 0.00 0.00 0.00 53.44 54.56 1cey n ALA 90 Cb 0.13 -2.99 -0.09 0.00 0.00 0.00 0.00 19.45 16.50 1cey n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cey s LYS 91 N -0.80 3.98 0.25 0.00 1.02 -1.26 -4.96 119.74 117.97 1cey s LYS 91 Ca -0.18 0.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 1cey s LYS 91 Cb 0.01 -3.67 0.35 0.00 -0.52 0.00 0.00 37.83 34.00 1cey s LYS 91 CO 0.50 -0.30 1.59 1.57 -0.92 0.00 0.00 175.35 177.79 1cey h LYS 92 N 8.19 -0.00 -1.14 1.68 2.10 -1.97 0.97 116.57 126.40 1cey h LYS 92 Ca -0.31 0.00 0.32 0.00 -2.00 0.00 0.00 60.65 58.66 1cey h LYS 92 Cb 1.16 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.40 1cey h LYS 92 CO 0.65 -0.00 0.75 0.93 -2.00 0.00 0.00 179.45 179.78 1cey h GLU 93 N -0.00 0.25 0.17 0.07 4.39 -2.02 0.44 114.58 117.87 1cey h GLU 93 Ca 0.39 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.73 1cey h GLU 93 Cb 0.60 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1cey h GLU 93 CO -0.85 0.16 -1.73 -0.97 -1.16 0.00 0.00 179.01 174.47 1cey h ASN 94 N 0.25 0.56 0.00 1.42 -0.73 0.48 -3.28 115.58 114.29 1cey h ASN 94 Ca 0.64 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.96 1cey h ASN 94 Cb 1.90 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 40.30 1cey h ASN 94 CO -0.27 1.72 0.00 -0.38 -0.37 0.00 0.00 177.43 178.13 1cey n ILE 95 N -3.55 0.03 -0.03 2.57 2.08 0.12 -2.70 119.36 117.88 1cey n ILE 95 Ca -0.23 0.01 -0.02 0.00 0.56 0.00 0.00 62.75 63.07 1cey n ILE 95 Cb 1.07 -1.01 -0.01 0.00 -0.75 0.00 0.00 39.64 38.95 1cey n ILE 95 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1cey h ILE 96 N 0.00 0.00 -1.20 1.39 2.04 -1.55 -3.23 117.51 114.96 1cey h ILE 96 Ca 0.00 -0.40 0.35 0.00 1.00 0.00 0.00 64.86 65.80 1cey h ILE 96 Cb 0.00 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.99 1cey h ILE 96 CO 0.00 0.00 0.79 0.00 0.00 0.00 0.00 178.15 178.94 1cey h ALA 97 N -1.60 2.63 0.30 1.87 0.00 -1.69 0.48 119.26 121.25 1cey h ALA 97 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cey h ALA 97 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1cey h ALA 97 CO 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 179.25 178.01 1cey h ALA 98 N 1.55 -0.40 -0.57 0.00 0.00 -1.71 -3.12 119.26 115.01 1cey h ALA 98 Ca 0.67 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.52 1cey h ALA 98 Cb 2.08 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.95 1cey h ALA 98 CO -0.26 -0.59 0.14 0.00 0.00 0.00 0.00 179.25 178.54 1cey h ALA 99 N -0.06 0.69 0.00 0.00 0.00 -0.94 0.49 119.26 119.44 1cey h ALA 99 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cey h ALA 99 Cb 0.47 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cey h ALA 99 CO 0.07 -0.28 0.42 1.96 0.00 0.00 0.00 179.25 181.41 1cey h GLN 100 N 0.29 0.00 0.00 0.00 4.20 -1.35 -3.36 115.11 114.89 1cey h GLN 100 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1cey h GLN 100 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1cey h GLN 100 CO -0.36 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.80 1cey n ALA 101 N -1.81 0.00 -0.20 3.87 0.00 0.17 -5.01 120.51 117.53 1cey n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cey n ALA 101 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 5.00 0.35 0.04 0.00 0.00 -1.20 -4.74 105.19 104.65 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -0.30 1.28 -0.25 4.61 0.00 -1.15 -2.84 120.51 121.86 1cey n ALA 103 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1cey n ALA 103 Cb 0.05 -0.88 0.34 0.00 0.00 0.00 0.00 19.45 18.97 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N -0.37 0.09 -4.67 0.00 7.64 -1.26 -3.90 113.62 111.16 1cey n SER 104 Ca 0.00 0.65 -0.36 0.00 1.01 0.00 0.00 58.87 60.17 1cey n SER 104 Cb 0.00 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.59 1.99 -0.19 0.23 0.00 0.73 -4.99 107.32 101.51 1cey s GLY 105 Ca -0.03 -0.86 -0.04 0.00 0.00 0.00 0.00 44.72 43.78 1cey s GLY 105 CO 0.41 0.36 0.15 -0.47 0.00 0.00 0.00 173.10 173.55 1cey s TYR 106 N 0.96 -0.02 0.10 1.90 5.04 -1.25 -0.60 117.35 123.49 1cey s TYR 106 Ca 0.08 -0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.66 1cey s TYR 106 Cb -0.13 -0.55 -0.04 0.00 0.35 0.00 0.00 41.96 41.59 1cey s TYR 106 CO 0.04 -0.57 -0.04 0.54 -1.34 0.00 0.00 175.55 174.18 1cey s VAL 107 N 2.22 3.75 -0.41 3.14 0.11 -1.03 -5.00 120.40 123.18 1cey s VAL 107 Ca 0.05 -1.14 -0.21 0.00 -2.93 0.00 0.00 61.98 57.74 1cey s VAL 107 Cb -0.16 -2.78 0.02 0.00 -1.53 0.00 0.00 36.38 31.92 1cey s VAL 107 CO -0.12 0.09 0.68 -0.69 -3.33 0.00 0.00 175.10 171.73 1cey s VAL 108 N -1.32 4.80 0.49 2.04 1.01 -1.26 -2.37 120.40 123.80 1cey s VAL 108 Ca 0.24 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1cey s VAL 108 Cb -0.11 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1cey s VAL 108 CO 0.17 -0.53 0.99 -1.59 0.00 0.00 0.00 175.10 174.14 1cey s LYS 109 N 2.91 3.94 0.84 2.72 -2.85 0.26 -4.27 119.74 123.28 1cey s LYS 109 Ca 0.25 1.10 -0.12 0.00 -1.00 0.00 0.00 55.97 56.20 1cey s LYS 109 Cb -0.14 -2.13 0.09 0.00 -2.06 0.00 0.00 37.83 33.59 1cey s LYS 109 CO 0.18 -0.28 1.10 -1.25 0.10 0.00 0.00 175.35 175.20 1cey s PRO 110 N -3.67 1.77 0.05 1.78 0.05 -1.26 -4.23 135.00 129.49 1cey s PRO 110 Ca 0.62 0.63 -0.06 0.00 0.05 0.00 0.00 61.00 62.23 1cey s PRO 110 Cb -0.11 -1.88 -0.01 0.00 0.05 0.00 0.00 34.50 32.54 1cey s PRO 110 CO 0.25 -1.84 0.11 -0.59 0.05 0.00 0.00 177.00 174.98 1cey s PHE 111 N -3.12 0.22 0.15 0.56 -0.12 -1.26 -5.08 117.98 109.32 1cey s PHE 111 Ca 0.62 -0.58 -0.04 0.00 -0.05 0.00 0.00 56.93 56.88 1cey s PHE 111 Cb -0.15 -0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.04 1cey s PHE 111 CO 0.55 -0.42 0.38 0.99 -0.05 0.00 0.00 175.22 176.67 1cey s THR 112 N -3.11 5.17 0.14 -4.49 2.01 -1.26 -4.86 115.64 109.24 1cey s THR 112 Ca -0.01 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.08 1cey s THR 112 Cb 0.02 -3.64 0.11 0.00 0.01 0.00 0.00 72.50 69.00 1cey s THR 112 CO -0.07 -0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.08 1cey h ALA 113 N 2.67 1.28 0.18 7.40 0.00 -1.99 1.22 119.26 130.03 1cey h ALA 113 Ca -0.46 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.14 1cey h ALA 113 Cb 1.17 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.98 1cey h ALA 113 CO 0.72 -0.28 -1.34 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 114 N 0.94 -0.03 0.37 0.00 0.00 -1.98 -1.48 119.26 117.09 1cey h ALA 114 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1cey h ALA 114 Cb 0.82 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1cey h ALA 114 CO 0.00 0.77 -0.18 1.79 0.00 0.00 0.00 179.25 181.63 1cey h THR 115 N 0.16 0.00 -1.02 0.00 1.35 0.12 0.12 112.91 113.64 1cey h THR 115 Ca -0.20 -0.39 0.25 0.00 -0.55 0.00 0.00 66.41 65.52 1cey h THR 115 Cb 2.03 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 68.34 1cey h THR 115 CO 0.24 0.00 0.62 0.25 -0.25 0.00 0.00 175.52 176.39 1cey h LEU 116 N -0.90 0.60 0.54 3.87 5.85 -1.55 -1.15 115.31 122.57 1cey h LEU 116 Ca -0.05 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1cey h LEU 116 Cb 0.39 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1cey h LEU 116 CO 0.08 0.10 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.94 1cey h GLU 117 N 0.51 -0.69 -0.18 1.25 4.22 -1.17 -2.37 114.58 116.15 1cey h GLU 117 Ca 0.63 0.05 0.02 0.00 0.08 0.00 0.00 59.36 60.14 1cey h GLU 117 Cb 1.34 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.71 1cey h GLU 117 CO -0.41 -0.39 -0.22 1.49 -2.18 0.00 0.00 179.01 177.30 1cey h GLU 118 N -0.95 -0.13 -1.17 1.92 4.81 0.48 0.44 114.58 119.99 1cey h GLU 118 Ca -0.07 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 59.50 1cey h GLU 118 Cb 0.62 0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.94 1cey h GLU 118 CO 0.12 -0.09 0.77 -0.22 -0.73 0.00 0.00 179.01 178.86 1cey h LYS 119 N -0.14 0.23 0.12 1.92 1.63 -1.50 -1.34 116.57 117.50 1cey h LYS 119 Ca 0.03 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1cey h LYS 119 Cb 0.22 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1cey h LYS 119 CO -0.25 0.15 -0.07 1.25 -3.45 0.00 0.00 179.45 177.08 1cey h LEU 120 N 0.24 -0.18 -1.71 5.20 5.85 0.41 -2.25 115.31 122.86 1cey h LEU 120 Ca 0.67 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.69 1cey h LEU 120 Cb 1.99 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 43.00 1cey h LEU 120 CO -0.29 -0.11 0.73 -1.13 -0.34 0.00 0.00 178.44 177.30 1cey h ASN 121 N -0.18 0.20 -0.83 1.25 -0.73 -0.58 0.37 115.58 115.08 1cey h ASN 121 Ca -0.02 0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.20 1cey h ASN 121 Cb 0.14 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 38.70 1cey h ASN 121 CO 0.02 0.04 0.55 0.50 -0.37 0.00 0.00 177.43 178.17 1cey h LYS 122 N 0.18 1.07 0.03 6.67 1.63 -0.75 -2.14 116.57 123.26 1cey h LYS 122 Ca 0.55 -0.06 -0.25 0.00 -0.85 0.00 0.00 60.65 60.04 1cey h LYS 122 Cb 1.82 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 33.18 1cey h LYS 122 CO -0.14 0.71 -1.33 0.82 -3.45 0.00 0.00 179.45 176.06 1cey h ILE 123 N 1.11 0.92 0.00 2.00 2.04 0.20 -3.34 117.51 120.44 1cey h ILE 123 Ca 0.31 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1cey h ILE 123 Cb -0.10 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1cey h ILE 123 CO -0.07 0.46 0.32 -0.26 0.00 0.00 0.00 178.15 178.60 1cey h PHE 124 N -0.76 0.00 -0.73 1.37 -1.00 -1.03 0.22 116.94 115.01 1cey h PHE 124 Ca -0.34 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.54 1cey h PHE 124 Cb 1.45 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.96 1cey h PHE 124 CO 0.11 0.00 0.48 0.93 -1.61 0.00 0.00 178.31 178.22 1cey h GLU 125 N 0.00 0.58 0.05 1.51 5.08 -1.50 0.27 114.58 120.57 1cey h GLU 125 Ca 0.00 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1cey h GLU 125 Cb 0.65 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1cey h GLU 125 CO 0.00 0.38 -1.08 0.87 -1.00 0.00 0.00 179.01 178.18 1cey h LYS 126 N 0.59 0.13 0.00 2.33 1.79 -0.80 -3.05 116.57 117.56 1cey h LYS 126 Ca 0.34 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.59 1cey h LYS 126 Cb 0.53 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1cey h LYS 126 CO -0.12 1.08 -0.09 1.25 -1.08 0.00 0.00 179.45 180.49 1cey h LEU 127 N 0.04 0.00 -1.39 2.94 6.46 -0.55 -3.46 115.31 119.35 1cey h LEU 127 Ca -0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1cey h LEU 127 Cb 1.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 1cey h LEU 127 CO 0.16 0.09 0.00 0.61 -0.62 0.00 0.00 178.44 178.68 1cey n GLY 128 N -0.62 0.83 0.00 3.75 0.00 0.32 -5.09 105.19 104.38 1cey n GLY 128 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35