#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 -9.06 -1.20 0.00 8.00 -1.26 -4.66 116.55 108.38 1cey n ASP 3 Ca 0.00 1.30 0.04 0.00 0.71 0.00 0.00 54.79 56.84 1cey n ASP 3 Cb 0.00 -4.83 0.21 0.00 -0.02 0.00 0.00 41.12 36.47 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cey n LYS 4 N 0.81 2.96 -2.73 -1.24 5.02 -1.26 -3.96 118.16 117.76 1cey n LYS 4 Ca 0.00 -1.61 -0.05 0.00 -2.02 0.00 0.00 58.31 54.63 1cey n LYS 4 Cb 0.00 -1.87 0.06 0.00 -0.02 0.00 0.00 35.03 33.20 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cey n GLU 5 N 0.33 1.37 -2.57 1.97 2.13 -1.26 -2.66 120.64 119.95 1cey n GLU 5 Ca 0.14 -2.92 -0.43 0.00 0.66 0.00 0.00 57.16 54.61 1cey n GLU 5 Cb 0.72 -1.02 -0.02 0.00 0.27 0.00 0.00 31.44 31.39 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1cey s LEU 6 N -3.47 4.01 0.01 4.31 2.96 -1.25 -4.88 118.68 120.37 1cey s LEU 6 Ca 0.24 1.28 -0.30 0.00 -0.22 0.00 0.00 54.13 55.13 1cey s LEU 6 Cb 0.40 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.48 1cey s LEU 6 CO -0.02 -0.84 1.78 -0.54 -1.32 0.00 0.00 176.35 175.41 1cey s LYS 7 N 3.59 4.17 0.00 1.98 1.02 -1.26 -4.69 119.74 124.55 1cey s LYS 7 Ca 0.48 2.39 0.06 0.00 0.02 0.00 0.00 55.97 58.92 1cey s LYS 7 Cb -0.15 -3.96 -0.03 0.00 -0.52 0.00 0.00 37.83 33.17 1cey s LYS 7 CO 0.14 -0.87 -0.16 -0.06 -0.92 0.00 0.00 175.35 173.48 1cey s PHE 8 N 3.87 2.63 -0.21 3.18 0.40 -1.01 -1.05 117.98 125.78 1cey s PHE 8 Ca 0.79 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1cey s PHE 8 Cb -0.39 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.62 1cey s PHE 8 CO 0.35 0.22 -0.12 -1.17 0.70 0.00 0.00 175.22 175.20 1cey s LEU 9 N -1.13 2.69 -0.34 -0.37 2.96 -0.89 -2.01 118.68 119.59 1cey s LEU 9 Ca 0.13 -0.70 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 1cey s LEU 9 Cb -0.11 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.00 1cey s LEU 9 CO 0.03 -0.05 0.16 0.68 -1.32 0.00 0.00 176.35 175.85 1cey s VAL 10 N 1.33 4.40 -0.30 1.68 -7.23 -1.09 0.44 120.40 119.63 1cey s VAL 10 Ca 0.03 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1cey s VAL 10 Cb -0.15 -3.36 -0.00 0.00 0.56 0.00 0.00 36.38 33.42 1cey s VAL 10 CO -0.08 -0.09 0.12 -0.69 -0.31 0.00 0.00 175.10 174.06 1cey s VAL 11 N 1.55 4.36 0.00 1.32 1.01 -1.00 -2.34 120.40 125.29 1cey s VAL 11 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1cey s VAL 11 Cb -0.18 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1cey s VAL 11 CO 0.05 0.10 0.00 -0.67 0.00 0.00 0.00 175.10 174.59 1cey n ASP 12 N 4.94 1.74 0.00 3.32 2.03 -1.11 -3.74 116.55 123.74 1cey n ASP 12 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1cey n ASP 12 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1cey n ASP 12 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1cey n ASP 13 N 0.00 0.00 -4.70 1.67 2.03 -1.26 -4.29 116.55 110.00 1cey n ASP 13 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1cey n ASP 13 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1cey n ASP 13 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1cey s PHE 14 N -0.10 2.85 -0.06 -0.67 2.19 -1.26 -4.86 117.98 116.07 1cey s PHE 14 Ca 0.00 0.70 -0.01 0.00 0.33 0.00 0.00 56.93 57.95 1cey s PHE 14 Cb 0.00 -3.77 -0.00 0.00 -1.31 0.00 0.00 43.02 37.94 1cey s PHE 14 CO 0.00 -2.91 2.22 -1.13 1.83 0.00 0.00 175.22 175.23 1cey n SER 15 N 4.95 5.53 0.00 6.13 3.41 -1.26 -3.48 113.62 128.89 1cey n SER 15 Ca 0.13 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.21 1cey n SER 15 Cb 0.42 -1.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1cey n THR 16 N 1.44 0.00 -0.08 6.66 5.66 -1.26 -4.95 114.28 121.74 1cey n THR 16 Ca 0.11 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.03 1cey n THR 16 Cb 0.56 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1cey h MET 17 N 0.00 0.26 -1.22 1.09 -1.53 -1.96 -0.66 114.93 110.91 1cey h MET 17 Ca 0.00 -0.02 0.35 0.00 -3.44 0.00 0.00 59.70 56.60 1cey h MET 17 Cb 0.00 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 30.94 1cey h MET 17 CO 0.00 0.17 0.94 0.00 0.14 0.00 0.00 176.91 178.16 1cey h ARG 18 N 0.27 0.00 -0.25 0.39 2.47 -1.93 0.80 114.38 116.13 1cey h ARG 18 Ca 0.13 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.75 1cey h ARG 18 Cb 0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1cey h ARG 18 CO -0.12 0.00 -0.28 0.00 0.56 0.00 0.00 179.97 180.14 1cey h ARG 19 N 0.00 0.50 0.56 0.04 2.47 -1.48 -1.92 114.38 114.56 1cey h ARG 19 Ca 0.58 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 59.07 1cey h ARG 19 Cb 2.45 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 30.75 1cey h ARG 19 CO -0.01 0.74 -0.27 0.82 0.56 0.00 0.00 179.97 181.81 1cey h ILE 20 N 0.44 0.43 -0.80 2.04 5.03 0.58 -2.96 117.51 122.27 1cey h ILE 20 Ca 0.06 -0.10 -0.03 0.00 -0.12 0.00 0.00 64.86 64.67 1cey h ILE 20 Cb 0.71 0.47 -0.04 0.00 -3.03 0.00 0.00 36.82 34.94 1cey h ILE 20 CO 0.05 0.02 0.39 -0.37 -0.68 0.00 0.00 178.15 177.56 1cey h VAL 21 N -0.82 1.25 -0.47 1.67 -1.51 -1.54 -1.98 116.25 112.85 1cey h VAL 21 Ca -0.08 -0.69 0.08 0.00 -1.23 0.00 0.00 66.70 64.79 1cey h VAL 21 Cb 0.61 0.22 -0.10 0.00 -2.13 0.00 0.00 31.29 29.89 1cey h VAL 21 CO 0.13 0.30 -0.37 0.03 -1.23 0.00 0.00 177.57 176.42 1cey h ARG 22 N 1.13 -0.24 0.46 5.19 3.08 -1.19 0.56 114.38 123.37 1cey h ARG 22 Ca 0.28 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 1cey h ARG 22 Cb 0.11 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1cey h ARG 22 CO -0.04 -0.16 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.51 1cey h ASN 23 N -0.25 -0.53 -0.91 7.04 -0.00 -1.37 -2.04 115.58 117.52 1cey h ASN 23 Ca 0.18 -0.08 0.08 0.00 -0.00 0.00 0.00 56.30 56.48 1cey h ASN 23 Cb 0.56 0.14 -0.11 0.00 -0.00 0.00 0.00 38.32 38.91 1cey h ASN 23 CO -0.60 -0.20 -0.54 -0.11 -0.00 0.00 0.00 177.43 175.98 1cey n LEU 24 N -5.26 -0.96 -0.13 0.34 7.94 -0.76 0.48 117.00 118.65 1cey n LEU 24 Ca -0.11 1.65 -0.06 0.00 -1.11 0.00 0.00 56.01 56.38 1cey n LEU 24 Cb 0.30 -0.23 0.02 0.00 0.53 0.00 0.00 43.42 44.05 1cey n LEU 24 CO 0.32 -1.33 1.00 -0.07 -1.11 0.00 0.00 177.39 176.19 1cey h LEU 25 N 0.00 0.33 -1.73 -1.96 3.38 -0.93 -1.11 115.31 113.28 1cey h LEU 25 Ca 0.15 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1cey h LEU 25 Cb 0.37 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1cey h LEU 25 CO -0.85 0.24 0.35 0.50 0.09 0.00 0.00 178.44 178.76 1cey h LYS 26 N 0.44 0.30 -0.42 1.13 3.64 0.61 0.55 116.57 122.82 1cey h LYS 26 Ca 0.17 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1cey h LYS 26 Cb 0.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1cey h LYS 26 CO -0.11 0.20 0.30 1.05 -2.27 0.00 0.00 179.45 178.62 1cey h GLU 27 N 0.31 0.03 0.00 1.90 -0.00 0.14 -3.04 114.58 113.92 1cey h GLU 27 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.59 1cey h GLU 27 Cb 0.53 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 1cey h GLU 27 CO -0.05 0.02 -0.00 1.25 -0.00 0.00 0.00 179.01 180.22 1cey h LEU 28 N 0.03 0.00 0.00 3.06 5.85 -0.93 -3.48 115.31 119.84 1cey h LEU 28 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1cey h LEU 28 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1cey h LEU 28 CO -0.01 0.17 0.00 0.61 -0.34 0.00 0.00 178.44 178.88 1cey n GLY 29 N 1.92 0.00 3.89 3.75 0.00 -1.13 -5.14 105.19 108.47 1cey n GLY 29 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.39 -0.40 1.61 0.08 -1.23 -4.18 117.98 117.25 1cey s PHE 30 Ca 0.00 0.12 0.10 0.00 0.12 0.00 0.00 56.93 57.26 1cey s PHE 30 Cb 0.00 -1.65 0.35 0.00 -0.57 0.00 0.00 43.02 41.15 1cey s PHE 30 CO 0.00 0.54 0.97 -1.71 -0.10 0.00 0.00 175.22 174.92 1cey n ASN 31 N -0.18 -0.67 -3.15 1.36 4.05 -1.09 -4.24 115.26 111.35 1cey n ASN 31 Ca -0.07 -3.21 0.05 0.00 0.45 0.00 0.00 54.58 51.80 1cey n ASN 31 Cb 0.53 0.59 -0.00 0.00 1.23 0.00 0.00 39.78 42.13 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 -1.91 -0.45 0.02 1.20 3.84 -1.26 -4.97 114.94 111.42 1cey s ASN 32 Ca 0.30 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.43 1cey s ASN 32 Cb 0.34 1.29 -0.02 0.00 -0.55 0.00 0.00 41.25 42.31 1cey s ASN 32 CO -0.06 -0.08 -0.04 -0.69 -2.79 0.00 0.00 177.10 173.44 1cey s VAL 33 N 2.95 0.18 0.17 -5.21 1.01 -1.26 -2.41 120.40 115.82 1cey s VAL 33 Ca 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1cey s VAL 33 Cb -0.02 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 1cey s VAL 33 CO -0.23 -0.50 0.01 -0.62 0.00 0.00 0.00 175.10 173.77 1cey n GLU 34 N 1.54 1.44 -3.96 2.72 -0.58 -0.85 -4.98 120.64 115.97 1cey n GLU 34 Ca -0.24 -1.24 -0.09 0.00 -0.42 0.00 0.00 57.16 55.18 1cey n GLU 34 Cb 0.55 0.39 -0.10 0.00 -0.57 0.00 0.00 31.44 31.72 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -2.60 0.57 0.10 3.49 2.02 -1.26 -2.68 118.70 118.32 1cey s GLU 35 Ca 0.01 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.17 1cey s GLU 35 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.45 1cey s GLU 35 CO 0.01 -0.13 0.14 0.00 0.02 0.00 0.00 175.26 175.29 1cey n ALA 36 N 0.72 -0.12 -1.17 5.21 0.00 -0.99 -4.94 120.51 119.22 1cey n ALA 36 Ca -0.19 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1cey n ALA 36 Cb 0.59 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N -0.15 0.00 -1.72 0.00 0.00 -1.26 -2.73 120.64 114.78 1cey n GLU 37 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1cey n GLU 37 Cb 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 31.44 31.18 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1cey n ASP 38 N 0.00 0.00 -0.03 -1.84 5.68 -1.26 -4.80 116.55 114.30 1cey n ASP 38 Ca 0.00 -0.89 -0.15 0.00 -0.50 0.00 0.00 54.79 53.25 1cey n ASP 38 Cb 0.31 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.19 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 0.25 0.33 6.12 0.00 -1.99 0.33 103.07 108.12 1cey h GLY 39 Ca 0.00 -0.38 0.20 0.00 0.00 0.00 0.00 47.33 47.15 1cey h GLY 39 CO 0.00 0.34 0.59 -0.24 0.00 0.00 0.00 176.54 177.23 1cey h VAL 40 N -0.34 0.69 0.11 4.60 3.04 -1.97 1.67 116.25 124.05 1cey h VAL 40 Ca -0.02 -0.15 -0.15 0.00 -1.01 0.00 0.00 66.70 65.37 1cey h VAL 40 Cb 0.93 0.22 0.02 0.00 -2.01 0.00 0.00 31.29 30.45 1cey h VAL 40 CO 0.05 0.08 -0.65 -0.78 -1.01 0.00 0.00 177.57 175.26 1cey h ASP 41 N 0.44 0.35 0.38 3.17 1.82 -1.91 -2.81 116.42 117.86 1cey h ASP 41 Ca 0.47 -0.96 -0.02 0.00 -0.39 0.00 0.00 57.03 56.13 1cey h ASP 41 Cb 1.12 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 41.02 1cey h ASP 41 CO -0.18 1.31 -0.18 0.00 -1.61 0.00 0.00 179.24 178.57 1cey h ALA 42 N 0.05 -0.51 -0.71 -0.78 0.00 0.99 0.83 119.26 119.14 1cey h ALA 42 Ca -0.12 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.75 1cey h ALA 42 Cb 1.49 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 1cey h ALA 42 CO 0.11 -0.53 -0.27 1.25 0.00 0.00 0.00 179.25 179.81 1cey h LEU 43 N -1.02 -0.96 -0.79 0.00 7.12 0.23 1.97 115.31 121.86 1cey h LEU 43 Ca -0.05 0.23 -0.08 0.00 0.13 0.00 0.00 57.88 58.12 1cey h LEU 43 Cb 0.51 0.54 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 1cey h LEU 43 CO 0.09 -0.28 0.08 0.78 -0.13 0.00 0.00 178.44 178.98 1cey h ASN 44 N -0.07 0.95 -0.14 1.25 2.35 -1.52 -2.04 115.58 116.37 1cey h ASN 44 Ca 0.31 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1cey h ASN 44 Cb 0.56 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1cey h ASN 44 CO -0.76 0.96 0.00 0.29 -1.65 0.00 0.00 177.43 176.27 1cey n LYS 45 N -4.22 1.49 -0.08 0.81 4.76 0.14 -3.73 118.16 117.33 1cey n LYS 45 Ca 0.04 -0.74 -0.12 0.00 -2.87 0.00 0.00 58.31 54.62 1cey n LYS 45 Cb 0.29 -1.31 -0.06 0.00 -1.84 0.00 0.00 35.03 32.12 1cey n LYS 45 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1cey n LEU 46 N -0.00 1.83 0.00 -0.35 7.99 0.62 -3.90 117.00 123.19 1cey n LEU 46 Ca 0.13 0.55 0.07 0.00 -0.01 0.00 0.00 56.01 56.75 1cey n LEU 46 Cb 0.22 -0.91 0.39 0.00 -0.11 0.00 0.00 43.42 43.01 1cey n LEU 46 CO 0.10 -0.17 0.61 0.00 -1.51 0.00 0.00 177.39 176.42 1cey n GLN 47 N -4.54 0.57 -0.08 3.23 10.64 -1.20 -3.36 117.38 122.64 1cey n GLN 47 Ca -0.17 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 54.94 1cey n GLN 47 Cb 0.43 -1.35 -0.04 0.00 -0.86 0.00 0.00 30.24 28.42 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey h ALA 48 N 2.86 -0.44 0.00 2.61 0.00 -1.68 -3.37 119.26 119.23 1cey h ALA 48 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 48 Cb 0.00 0.93 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1cey h ALA 48 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.10 1cey n GLY 49 N -1.14 -0.91 0.59 0.00 0.00 -1.25 -5.06 105.19 97.41 1cey n GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.18 3.59 -0.02 0.00 -1.21 -4.95 105.19 102.77 1cey n GLY 50 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.52 1.67 -1.17 1.61 1.51 -1.25 -4.78 117.35 114.41 1cey s TYR 51 Ca 0.00 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 1cey s TYR 51 Cb 0.00 -4.07 0.00 0.00 -0.11 0.00 0.00 41.96 37.78 1cey s TYR 51 CO 0.00 -3.06 0.79 0.41 -1.11 0.00 0.00 175.55 172.58 1cey n GLY 52 N 5.52 -0.31 3.57 0.71 0.00 -1.19 -4.57 105.19 108.92 1cey n GLY 52 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.58 -0.60 -0.07 1.61 2.19 -0.22 -4.03 117.98 114.28 1cey s PHE 53 Ca 0.00 1.18 -0.03 0.00 0.33 0.00 0.00 56.93 58.41 1cey s PHE 53 Cb 0.00 0.39 0.04 0.00 -1.31 0.00 0.00 43.02 42.14 1cey s PHE 53 CO 0.00 -0.45 0.16 0.08 1.83 0.00 0.00 175.22 176.83 1cey s VAL 54 N -0.68 -0.12 -0.11 3.12 1.01 -1.03 -2.10 120.40 120.48 1cey s VAL 54 Ca -0.05 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1cey s VAL 54 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1cey s VAL 54 CO 0.04 0.10 -0.06 -0.63 0.00 0.00 0.00 175.10 174.55 1cey s ILE 55 N 1.54 3.76 -0.10 2.22 1.01 0.17 -2.20 121.20 127.60 1cey s ILE 55 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 1cey s ILE 55 Cb -0.12 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.80 1cey s ILE 55 CO -0.06 0.55 0.25 -0.94 0.00 0.00 0.00 174.94 174.74 1cey s SER 56 N -0.23 -0.27 0.00 3.58 1.04 -1.25 -2.37 113.70 114.20 1cey s SER 56 Ca 0.03 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1cey s SER 56 Cb -0.13 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1cey s SER 56 CO 0.03 -0.11 0.00 0.47 0.98 0.00 0.00 173.24 174.61 1cey n ASP 57 N 3.28 0.00 -4.41 7.02 9.92 -1.25 -2.02 116.55 129.10 1cey n ASP 57 Ca -0.16 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 53.93 1cey n ASP 57 Cb 0.57 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.09 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1cey n TRP 58 N -0.06 -2.09 -1.61 1.24 -0.00 -1.21 -4.51 117.44 109.19 1cey n TRP 58 Ca 0.00 -1.78 -0.17 0.00 -0.00 0.00 0.00 57.50 55.55 1cey n TRP 58 Cb 0.00 -0.44 -0.06 0.00 -0.00 0.00 0.00 31.31 30.81 1cey n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1cey s ASN 59 N -3.91 4.04 -0.24 5.87 0.01 -1.25 -4.68 114.94 114.79 1cey s ASN 59 Ca 0.46 0.08 -0.12 0.00 -0.71 0.00 0.00 52.86 52.56 1cey s ASN 59 Cb -0.04 -2.55 -0.17 0.00 0.41 0.00 0.00 41.25 38.91 1cey s ASN 59 CO 0.29 -3.70 -0.08 0.23 -1.51 0.00 0.00 177.10 172.32 1cey n MET 60 N 8.84 0.62 0.19 -0.60 2.81 -1.26 -4.58 117.12 123.14 1cey n MET 60 Ca 0.45 0.33 -0.14 0.00 -1.81 0.00 0.00 57.70 56.53 1cey n MET 60 Cb 0.45 -1.59 -0.08 0.00 -0.71 0.00 0.00 33.22 31.28 1cey n MET 60 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1cey h PRO 61 N -0.67 -0.47 0.00 0.03 0.11 -1.93 -3.49 132.00 125.58 1cey h PRO 61 Ca -0.55 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1cey h PRO 61 Cb 1.64 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.86 1cey h PRO 61 CO -0.24 -0.17 0.00 0.27 -0.21 0.00 0.00 178.00 177.65 1cey n ASN 62 N -5.19 0.20 -4.44 -2.05 0.23 -1.26 -5.02 115.26 97.74 1cey n ASN 62 Ca -0.10 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.75 1cey n ASN 62 Cb 0.27 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.86 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1cey n MET 63 N 0.00 0.36 0.00 -3.83 2.81 -1.26 -4.67 117.12 110.53 1cey n MET 63 Ca 0.00 -1.76 0.00 0.00 -1.81 0.00 0.00 57.70 54.13 1cey n MET 63 Cb 0.00 -3.74 0.00 0.00 -0.71 0.00 0.00 33.22 28.77 1cey n MET 63 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1cey n ASP 64 N 17.67 0.00 0.00 7.83 8.00 -1.26 -4.83 116.55 143.96 1cey n ASP 64 Ca 0.43 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1cey n ASP 64 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 65 N 0.00 0.87 0.22 0.44 0.00 -1.26 -3.57 105.19 101.88 1cey n GLY 65 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.71 -1.50 0.99 7.12 -1.90 0.41 115.31 121.14 1cey h LEU 66 Ca 0.00 -0.32 -0.05 0.00 0.13 0.00 0.00 57.88 57.64 1cey h LEU 66 Cb 0.00 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 39.93 1cey h LEU 66 CO 0.00 0.86 -0.25 -0.08 -0.13 0.00 0.00 178.44 178.84 1cey h GLU 67 N 0.55 0.00 0.65 1.25 4.81 -1.88 0.13 114.58 120.10 1cey h GLU 67 Ca 0.11 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1cey h GLU 67 Cb 0.50 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.89 1cey h GLU 67 CO 0.02 0.25 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.17 1cey h LEU 68 N 0.00 -0.74 0.37 1.64 4.07 -1.54 0.12 115.31 119.23 1cey h LEU 68 Ca -0.00 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 1cey h LEU 68 Cb 0.52 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 1cey h LEU 68 CO 0.03 -0.39 -0.31 0.25 -1.08 0.00 0.00 178.44 176.94 1cey h LEU 69 N -1.17 -0.83 -1.06 1.67 6.46 -0.77 0.35 115.31 119.96 1cey h LEU 69 Ca -0.09 0.06 0.34 0.00 -0.12 0.00 0.00 57.88 58.07 1cey h LEU 69 Cb 0.67 0.26 -0.15 0.00 -0.73 0.00 0.00 40.66 40.72 1cey h LEU 69 CO 0.15 -0.43 0.60 0.50 -0.62 0.00 0.00 178.44 178.64 1cey h LYS 70 N -0.67 0.27 -0.40 1.25 3.64 -0.83 1.01 116.57 120.84 1cey h LYS 70 Ca -0.05 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 1cey h LYS 70 Cb 0.56 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1cey h LYS 70 CO -0.00 0.18 -0.25 1.15 -2.27 0.00 0.00 179.45 178.25 1cey h THR 71 N 0.28 1.28 -0.14 1.00 2.02 0.23 -1.39 112.91 116.19 1cey h THR 71 Ca 0.75 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 66.56 1cey h THR 71 Cb 1.80 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.51 1cey h THR 71 CO -0.59 0.47 0.22 0.40 0.37 0.00 0.00 175.52 176.40 1cey h ILE 72 N 0.69 0.31 0.00 3.11 2.04 0.51 0.21 117.51 124.38 1cey h ILE 72 Ca 0.08 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.73 1cey h ILE 72 Cb 0.83 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1cey h ILE 72 CO 0.07 0.00 -1.52 -1.14 0.00 0.00 0.00 178.15 175.56 1cey n ARG 73 N -3.53 0.62 -0.34 2.37 0.00 -0.67 -3.96 116.66 111.15 1cey n ARG 73 Ca 0.01 0.26 0.36 0.00 -0.00 0.00 0.00 57.85 58.48 1cey n ARG 73 Cb 0.33 -1.81 0.73 0.00 0.00 0.00 0.00 32.46 31.71 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey h ALA 74 N 1.25 3.15 -3.03 5.13 0.00 0.49 -3.40 119.26 122.85 1cey h ALA 74 Ca -0.21 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1cey h ALA 74 Cb 1.76 0.09 0.05 0.00 0.00 0.00 0.00 17.79 19.69 1cey h ALA 74 CO 0.06 -1.60 -0.02 -3.47 0.00 0.00 0.00 179.25 174.22 1cey n ASP 75 N -3.98 -2.13 -3.37 0.00 2.03 -1.24 -4.99 116.55 102.87 1cey n ASP 75 Ca 0.27 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1cey n ASP 75 Cb 1.36 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 76 N -0.78 -3.40 0.46 0.27 0.00 -1.26 -4.70 105.19 95.78 1cey n GLY 76 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.89 2.20 -0.00 4.61 0.00 -1.26 -3.04 120.51 120.13 1cey n ALA 77 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1cey n ALA 77 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 1cey n ALA 77 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1cey h MET 78 N 0.19 0.00 0.00 0.00 -1.53 -1.92 -3.48 114.93 108.18 1cey h MET 78 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1cey h MET 78 Cb 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.42 1cey h MET 78 CO 0.00 0.44 0.00 0.45 0.14 0.00 0.00 176.91 177.94 1cey n SER 79 N -3.01 0.00 -2.79 1.39 2.88 -1.17 -3.60 113.62 107.32 1cey n SER 79 Ca -0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.29 1cey n SER 79 Cb 0.99 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.50 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 9.58 1.61 -0.20 -1.46 0.00 -1.26 -4.89 120.51 123.88 1cey n ALA 80 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1cey n ALA 80 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N -0.07 0.00 -4.73 0.00 4.32 -1.24 -4.60 117.00 110.69 1cey n LEU 81 Ca 0.08 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.71 1cey n LEU 81 Cb 0.77 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.64 1cey n LEU 81 CO 0.11 -0.23 0.86 -2.84 -1.22 0.00 0.00 177.39 174.07 1cey s PRO 82 N 0.00 2.49 -0.01 3.23 0.02 -1.26 -4.89 135.00 134.58 1cey s PRO 82 Ca 0.00 1.94 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1cey s PRO 82 Cb 0.00 -1.85 -0.00 0.00 0.02 0.00 0.00 34.50 32.67 1cey s PRO 82 CO 0.00 -1.61 -0.05 0.08 -0.33 0.00 0.00 177.00 175.08 1cey s VAL 83 N -1.60 0.45 -0.76 3.83 1.01 -1.26 -2.48 120.40 119.59 1cey s VAL 83 Ca 0.79 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1cey s VAL 83 Cb -0.34 -0.40 0.20 0.00 0.00 0.00 0.00 36.38 35.84 1cey s VAL 83 CO 0.40 0.14 0.63 -0.11 0.00 0.00 0.00 175.10 176.16 1cey n LEU 84 N 3.11 3.53 -4.69 3.92 7.94 -0.93 -0.50 117.00 129.37 1cey n LEU 84 Ca -0.15 -5.23 -0.31 0.00 -1.11 0.00 0.00 56.01 49.21 1cey n LEU 84 Cb 0.57 -0.85 0.15 0.00 0.53 0.00 0.00 43.42 43.82 1cey n LEU 84 CO 0.25 1.75 0.69 -0.32 -1.11 0.00 0.00 177.39 178.65 1cey s MET 85 N -1.63 1.28 -0.11 1.96 -2.45 0.38 -3.97 119.30 114.76 1cey s MET 85 Ca 0.28 1.51 -0.13 0.00 -1.25 0.00 0.00 55.69 56.10 1cey s MET 85 Cb -0.02 -1.76 0.03 0.00 1.25 0.00 0.00 34.83 34.33 1cey s MET 85 CO -0.13 -2.43 0.36 0.54 1.05 0.00 0.00 175.02 174.40 1cey s VAL 86 N -2.63 0.01 0.30 10.11 0.11 -0.85 -2.21 120.40 125.24 1cey s VAL 86 Ca 0.67 -0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.54 1cey s VAL 86 Cb -0.22 -0.54 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1cey s VAL 86 CO 0.57 -0.06 0.48 0.28 -3.33 0.00 0.00 175.10 173.04 1cey s THR 87 N -0.16 0.00 -0.19 5.04 -1.32 -0.98 -3.34 115.64 114.69 1cey s THR 87 Ca -0.03 -1.50 0.01 0.00 -1.21 0.00 0.00 61.69 58.96 1cey s THR 87 Cb -0.03 -2.50 -0.12 0.00 -1.51 0.00 0.00 72.50 68.34 1cey s THR 87 CO 0.01 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.26 1cey n ALA 88 N -0.48 1.60 -0.05 11.08 0.00 -1.26 0.18 120.51 131.58 1cey n ALA 88 Ca -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 52.63 1cey n ALA 88 Cb 0.62 0.07 -0.00 0.00 0.00 0.00 0.00 19.45 20.14 1cey n ALA 88 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1cey h GLU 89 N 0.00 0.00 -5.54 0.00 4.81 -1.98 -3.45 114.58 108.42 1cey h GLU 89 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1cey h GLU 89 Cb 1.64 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.96 1cey h GLU 89 CO -0.06 0.00 -0.94 0.00 -0.73 0.00 0.00 179.01 177.27 1cey n ALA 90 N -2.86 -2.62 -2.67 2.92 0.00 -1.26 -4.90 120.51 109.11 1cey n ALA 90 Ca -0.01 1.16 -0.38 0.00 0.00 0.00 0.00 53.44 54.21 1cey n ALA 90 Cb 0.04 -2.49 -0.07 0.00 0.00 0.00 0.00 19.45 16.93 1cey n ALA 90 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1cey s LYS 91 N -0.61 4.18 0.61 0.00 2.20 -1.26 -4.92 119.74 119.94 1cey s LYS 91 Ca -0.13 0.20 0.26 0.00 -0.36 0.00 0.00 55.97 55.94 1cey s LYS 91 Cb 0.01 -3.53 1.13 0.00 -1.51 0.00 0.00 37.83 33.92 1cey s LYS 91 CO 0.46 -0.03 1.55 0.87 -0.36 0.00 0.00 175.35 177.83 1cey h LYS 92 N 7.35 0.00 0.02 4.03 1.79 -1.98 1.46 116.57 129.24 1cey h LYS 92 Ca -0.36 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.84 1cey h LYS 92 Cb 1.16 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.78 1cey h LYS 92 CO 0.72 0.00 -1.41 0.93 -1.08 0.00 0.00 179.45 178.60 1cey h GLU 93 N 0.00 0.05 0.00 3.15 5.08 -2.02 -3.32 114.58 117.51 1cey h GLU 93 Ca 0.33 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1cey h GLU 93 Cb 2.07 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1cey h GLU 93 CO -0.00 0.81 -0.75 -0.91 -1.00 0.00 0.00 179.01 177.15 1cey h ASN 94 N 0.01 0.00 0.05 1.42 2.35 0.14 -3.30 115.58 116.25 1cey h ASN 94 Ca -0.18 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 1cey h ASN 94 Cb 1.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1cey h ASN 94 CO 0.11 0.12 0.00 -0.38 -1.65 0.00 0.00 177.43 175.63 1cey n ILE 95 N -2.10 0.03 -0.08 2.81 5.41 0.15 -3.67 119.36 121.90 1cey n ILE 95 Ca 0.03 0.01 -0.08 0.00 1.00 0.00 0.00 62.75 63.71 1cey n ILE 95 Cb 0.44 -0.61 -0.03 0.00 -0.71 0.00 0.00 39.64 38.73 1cey n ILE 95 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1cey h ILE 96 N 0.00 0.16 -0.63 1.39 2.04 -1.73 -3.29 117.51 115.44 1cey h ILE 96 Ca 0.00 -1.21 0.12 0.00 1.00 0.00 0.00 64.86 64.77 1cey h ILE 96 Cb 0.03 0.39 -0.12 0.00 -0.74 0.00 0.00 36.82 36.37 1cey h ILE 96 CO 0.00 0.05 -0.26 0.00 0.00 0.00 0.00 178.15 177.94 1cey h ALA 97 N -0.91 0.19 -0.34 1.87 0.00 -1.77 0.65 119.26 118.94 1cey h ALA 97 Ca -0.06 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1cey h ALA 97 Cb 0.64 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 97 CO -0.04 -0.56 -0.30 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 98 N 1.31 -0.17 -0.94 0.00 0.00 -1.76 0.11 119.26 117.82 1cey h ALA 98 Ca 0.28 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.43 1cey h ALA 98 Cb 0.53 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1cey h ALA 98 CO -0.69 -0.71 0.60 0.00 0.00 0.00 0.00 179.25 178.45 1cey h ALA 99 N 0.76 1.76 0.00 0.00 0.00 -0.99 0.41 119.26 121.21 1cey h ALA 99 Ca 0.16 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1cey h ALA 99 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1cey h ALA 99 CO -0.49 -0.03 0.01 0.37 0.00 0.00 0.00 179.25 179.12 1cey h GLN 100 N 0.76 0.00 0.00 0.00 5.75 0.33 -3.39 115.11 118.56 1cey h GLN 100 Ca 0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.98 1cey h GLN 100 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1cey h GLN 100 CO -0.24 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 175.94 1cey n ALA 101 N -1.93 0.00 -0.53 3.38 0.00 0.14 -4.99 120.51 116.59 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 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 4.63 -0.18 0.07 0.00 0.00 -1.22 -4.79 105.19 103.70 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 -0.03 1.06 -0.28 4.61 0.00 -1.14 -4.17 120.51 120.55 1cey n ALA 103 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 103 Cb 0.17 -0.74 0.35 0.00 0.00 0.00 0.00 19.45 19.23 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 -0.27 0.05 -4.28 0.00 7.64 -1.26 -3.66 113.62 111.84 1cey n SER 104 Ca 0.00 0.55 -0.34 0.00 1.01 0.00 0.00 58.87 60.10 1cey n SER 104 Cb 0.00 -0.27 -0.15 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 -3.49 1.52 -0.12 0.23 0.00 0.35 -4.99 107.32 100.82 1cey s GLY 105 Ca -0.03 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.58 1cey s GLY 105 CO 0.40 0.16 0.06 -0.47 0.00 0.00 0.00 173.10 173.25 1cey s TYR 106 N 1.02 0.38 -0.06 1.90 5.04 -1.24 0.14 117.35 124.53 1cey s TYR 106 Ca -0.01 -0.22 0.04 0.00 -2.44 0.00 0.00 57.07 54.44 1cey s TYR 106 Cb -0.15 -0.71 -0.02 0.00 0.35 0.00 0.00 41.96 41.43 1cey s TYR 106 CO -0.02 -0.40 -0.16 0.54 -1.34 0.00 0.00 175.55 174.17 1cey s VAL 107 N 2.07 2.93 -0.61 3.14 0.11 -0.94 -5.00 120.40 122.11 1cey s VAL 107 Ca 0.03 -0.76 -0.24 0.00 -2.93 0.00 0.00 61.98 58.07 1cey s VAL 107 Cb -0.14 -2.15 0.05 0.00 -1.53 0.00 0.00 36.38 32.61 1cey s VAL 107 CO -0.06 0.58 0.99 0.54 -3.33 0.00 0.00 175.10 173.82 1cey s VAL 108 N -0.57 4.28 0.85 2.04 0.11 -1.26 -2.32 120.40 123.52 1cey s VAL 108 Ca 0.08 0.12 -0.11 0.00 -2.93 0.00 0.00 61.98 59.14 1cey s VAL 108 Cb -0.11 -4.63 0.11 0.00 -1.53 0.00 0.00 36.38 30.21 1cey s VAL 108 CO 0.01 -1.31 1.14 -1.59 -3.33 0.00 0.00 175.10 170.02 1cey s LYS 109 N 4.22 1.51 0.62 1.54 -2.85 0.47 -4.48 119.74 120.77 1cey s LYS 109 Ca 0.29 1.48 -0.14 0.00 -1.00 0.00 0.00 55.97 56.60 1cey s LYS 109 Cb -0.13 -1.79 -0.02 0.00 -2.06 0.00 0.00 37.83 33.82 1cey s LYS 109 CO 0.16 -2.25 1.05 -1.25 0.10 0.00 0.00 175.35 173.16 1cey s PRO 110 N -4.61 3.25 0.07 1.78 0.05 -1.26 -4.36 135.00 129.92 1cey s PRO 110 Ca 0.66 1.07 0.02 0.00 0.05 0.00 0.00 61.00 62.79 1cey s PRO 110 Cb -0.22 -2.03 -0.03 0.00 0.05 0.00 0.00 34.50 32.27 1cey s PRO 110 CO 0.56 -0.85 -0.07 -0.59 0.05 0.00 0.00 177.00 176.10 1cey s PHE 111 N -2.72 0.76 0.10 0.56 -0.12 -1.26 -5.09 117.98 110.20 1cey s PHE 111 Ca 0.61 -0.77 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 1cey s PHE 111 Cb -0.14 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.75 1cey s PHE 111 CO 0.44 -0.15 0.21 0.99 -0.05 0.00 0.00 175.22 176.66 1cey s THR 112 N -2.81 5.19 0.46 -4.49 2.01 -1.26 -4.88 115.64 109.86 1cey s THR 112 Ca 0.03 -0.58 0.15 0.00 0.31 0.00 0.00 61.69 61.60 1cey s THR 112 Cb -0.00 -3.58 0.15 0.00 0.01 0.00 0.00 72.50 69.08 1cey s THR 112 CO -0.03 0.05 1.42 0.00 -0.69 0.00 0.00 174.62 175.36 1cey h ALA 113 N 2.78 1.47 -0.12 7.40 0.00 -1.98 0.98 119.26 129.79 1cey h ALA 113 Ca -0.46 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1cey h ALA 113 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 113 CO 0.72 -0.47 -0.35 0.00 0.00 0.00 0.00 179.25 179.14 1cey h ALA 114 N 0.84 0.20 0.43 0.00 0.00 -1.97 0.65 119.26 119.40 1cey h ALA 114 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1cey h ALA 114 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1cey h ALA 114 CO 0.00 0.26 -0.21 1.79 0.00 0.00 0.00 179.25 181.10 1cey h THR 115 N 0.02 0.00 -1.10 0.00 1.35 0.61 0.20 112.91 114.00 1cey h THR 115 Ca -0.01 -0.24 0.30 0.00 -0.55 0.00 0.00 66.41 65.91 1cey h THR 115 Cb 0.97 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.30 1cey h THR 115 CO 0.07 0.00 0.72 0.25 -0.25 0.00 0.00 175.52 176.31 1cey h LEU 116 N -0.82 0.37 0.39 3.87 5.85 -1.51 -2.23 115.31 121.22 1cey h LEU 116 Ca -0.06 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1cey h LEU 116 Cb 0.44 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1cey h LEU 116 CO 0.10 0.03 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.96 1cey h GLU 117 N 0.30 -0.50 -1.42 1.25 4.81 -0.67 -2.60 114.58 115.75 1cey h GLU 117 Ca 0.63 0.03 0.47 0.00 -0.13 0.00 0.00 59.36 60.36 1cey h GLU 117 Cb 1.75 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 31.12 1cey h GLU 117 CO -0.29 -0.34 0.92 1.49 -0.73 0.00 0.00 179.01 180.07 1cey h GLU 118 N -1.13 0.03 0.02 1.92 4.57 -0.01 0.41 114.58 120.39 1cey h GLU 118 Ca -0.05 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1cey h GLU 118 Cb 0.40 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1cey h GLU 118 CO 0.09 0.02 -0.01 0.87 -1.18 0.00 0.00 179.01 178.80 1cey h LYS 119 N 0.03 -0.02 -0.84 1.92 1.57 -1.52 -3.27 116.57 114.44 1cey h LYS 119 Ca 0.87 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.86 1cey h LYS 119 Cb 2.84 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 35.02 1cey h LYS 119 CO -0.41 0.54 0.26 1.25 -0.57 0.00 0.00 179.45 180.52 1cey h LEU 120 N -0.98 0.10 -0.61 2.94 5.85 -0.56 0.15 115.31 122.19 1cey h LEU 120 Ca -0.00 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1cey h LEU 120 Cb 0.57 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 1cey h LEU 120 CO 0.00 -0.07 0.23 0.78 -0.34 0.00 0.00 178.44 179.04 1cey h ASN 121 N 0.28 0.22 0.06 1.25 4.21 -1.32 0.47 115.58 120.75 1cey h ASN 121 Ca 0.51 0.08 -0.00 0.00 1.21 0.00 0.00 56.30 58.10 1cey h ASN 121 Cb 0.98 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 1cey h ASN 121 CO -0.58 0.13 -0.03 0.50 -1.29 0.00 0.00 177.43 176.16 1cey h LYS 122 N 0.40 -0.08 -0.41 0.81 1.63 -0.78 0.59 116.57 118.74 1cey h LYS 122 Ca 0.31 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.09 1cey h LYS 122 Cb 0.39 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 1cey h LYS 122 CO -0.31 0.07 0.13 0.82 -3.45 0.00 0.00 179.45 176.71 1cey h ILE 123 N -0.20 1.17 -0.01 2.00 2.04 -0.80 -1.72 117.51 119.99 1cey h ILE 123 Ca -0.01 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1cey h ILE 123 Cb 0.18 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1cey h ILE 123 CO 0.01 0.21 -0.07 0.49 0.00 0.00 0.00 178.15 178.79 1cey n PHE 124 N -4.35 0.00 0.10 1.37 3.01 0.16 -2.84 117.46 114.91 1cey n PHE 124 Ca 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.47 1cey n PHE 124 Cb 0.17 -0.03 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 2.05 0.00 0.00 -1.08 4.81 0.11 0.27 114.58 120.74 1cey h GLU 125 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1cey h GLU 125 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1cey h GLU 125 CO 0.00 0.65 -1.66 1.63 -0.73 0.00 0.00 179.01 178.89 1cey n LYS 126 N -3.23 0.64 0.01 1.92 5.02 -1.22 -4.19 118.16 117.12 1cey n LYS 126 Ca -0.00 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.09 1cey n LYS 126 Cb 0.82 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 34.05 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1cey h LEU 127 N 0.00 0.25 -3.45 -0.35 6.46 -1.52 -3.49 115.31 113.21 1cey h LEU 127 Ca -0.06 -0.47 -0.37 0.00 -0.12 0.00 0.00 57.88 56.86 1cey h LEU 127 Cb 1.15 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1cey h LEU 127 CO 0.01 1.42 -1.10 0.61 -0.62 0.00 0.00 178.44 178.75 1cey n GLY 128 N 1.73 -0.28 0.48 3.75 0.00 0.96 -5.05 105.19 106.78 1cey n GLY 128 Ca -0.21 1.06 0.14 0.00 0.00 0.00 0.00 46.02 47.00 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35