#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey s ASP 3 N 0.00 -0.08 -0.14 0.00 2.15 -1.26 -4.94 116.67 112.40 1cey s ASP 3 Ca 0.00 0.21 0.06 0.00 0.43 0.00 0.00 52.55 53.25 1cey s ASP 3 Cb 0.00 0.15 0.40 0.00 -0.30 0.00 0.00 42.92 43.18 1cey s ASP 3 CO 0.00 -0.09 1.18 0.29 -0.17 0.00 0.00 175.17 176.39 1cey n LYS 4 N 3.62 2.77 -2.68 4.34 5.02 -1.26 -4.08 118.16 125.90 1cey n LYS 4 Ca -0.20 -1.58 -0.04 0.00 -2.02 0.00 0.00 58.31 54.47 1cey n LYS 4 Cb 0.55 -1.85 0.13 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.22 1.29 -2.91 1.97 2.13 -1.25 -3.09 120.64 119.01 1cey n GLU 5 Ca 0.17 -1.45 -0.41 0.00 0.66 0.00 0.00 57.16 56.13 1cey n GLU 5 Cb 0.79 0.24 -0.04 0.00 0.27 0.00 0.00 31.44 32.70 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 -3.74 4.23 -0.09 4.31 2.96 -1.26 -4.85 118.68 120.25 1cey s LEU 6 Ca 0.14 1.22 -0.30 0.00 -0.22 0.00 0.00 54.13 54.98 1cey s LEU 6 Cb 0.43 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 1cey s LEU 6 CO -0.11 -0.32 1.25 -0.54 -1.32 0.00 0.00 176.35 175.31 1cey s LYS 7 N 1.73 4.30 -0.03 1.98 1.02 -1.26 -4.62 119.74 122.85 1cey s LYS 7 Ca 0.39 1.71 0.05 0.00 0.02 0.00 0.00 55.97 58.14 1cey s LYS 7 Cb -0.17 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1cey s LYS 7 CO 0.15 -0.56 -0.16 -0.06 -0.92 0.00 0.00 175.35 173.80 1cey s PHE 8 N 2.73 2.65 -0.29 3.18 0.40 -1.05 -1.64 117.98 123.97 1cey s PHE 8 Ca 0.57 -0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.62 1cey s PHE 8 Cb -0.25 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 1cey s PHE 8 CO 0.20 0.18 0.11 -1.17 0.70 0.00 0.00 175.22 175.24 1cey s LEU 9 N -0.85 3.83 -0.51 -0.37 2.96 -1.02 -2.50 118.68 120.22 1cey s LEU 9 Ca 0.12 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.39 1cey s LEU 9 Cb -0.11 -1.94 0.10 0.00 0.50 0.00 0.00 46.19 44.74 1cey s LEU 9 CO 0.01 -0.14 0.46 -0.69 -1.32 0.00 0.00 176.35 174.67 1cey s VAL 10 N 1.58 5.19 -1.18 1.68 1.01 -1.09 -1.17 120.40 126.42 1cey s VAL 10 Ca 0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 1cey s VAL 10 Cb -0.16 -4.24 0.23 0.00 0.00 0.00 0.00 36.38 32.20 1cey s VAL 10 CO 0.04 -0.73 1.99 0.52 0.00 0.00 0.00 175.10 176.92 1cey n VAL 11 N 5.25 5.46 -4.01 2.92 0.31 -1.09 -2.40 118.33 124.78 1cey n VAL 11 Ca -0.13 -5.16 -0.35 0.00 -0.01 0.00 0.00 64.34 58.69 1cey n VAL 11 Cb 0.42 -1.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 1cey n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1cey s ASP 12 N -0.50 5.74 0.35 4.52 1.01 -1.15 -4.44 116.67 122.20 1cey s ASP 12 Ca 0.43 0.15 0.21 0.00 0.71 0.00 0.00 52.55 54.06 1cey s ASP 12 Cb 0.15 -1.93 0.21 0.00 1.01 0.00 0.00 42.92 42.36 1cey s ASP 12 CO -0.06 0.23 1.45 -2.24 0.21 0.00 0.00 175.17 174.75 1cey h ASP 13 N 6.28 0.00 -3.80 0.27 3.04 -1.90 -3.44 116.42 116.87 1cey h ASP 13 Ca -0.41 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 52.82 1cey h ASP 13 Cb 1.18 0.00 0.15 0.00 -1.04 0.00 0.00 39.33 39.61 1cey h ASP 13 CO 0.68 0.13 0.44 0.49 -2.04 0.00 0.00 179.24 178.93 1cey n PHE 14 N -3.05 1.82 -0.18 4.15 3.72 -1.26 -4.86 117.46 117.81 1cey n PHE 14 Ca 0.02 0.45 -0.12 0.00 -0.05 0.00 0.00 57.45 57.75 1cey n PHE 14 Cb 0.59 -2.29 0.10 0.00 -0.94 0.00 0.00 39.48 36.93 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1cey n SER 15 N -0.80 3.40 0.00 4.37 7.64 -1.26 -4.16 113.62 122.82 1cey n SER 15 Ca 0.11 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1cey n SER 15 Cb 0.45 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1cey n THR 16 N -0.36 0.00 -0.26 0.44 5.66 -1.26 -4.92 114.28 113.59 1cey n THR 16 Ca 0.31 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.38 1cey n THR 16 Cb 1.12 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 70.10 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 0.25 -0.16 1.09 -1.53 -1.96 -1.09 114.93 111.53 1cey h MET 17 Ca 0.00 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.29 1cey h MET 17 Cb 0.00 -0.06 -0.07 0.00 -0.55 0.00 0.00 31.60 30.93 1cey h MET 17 CO 0.00 0.16 -0.40 0.00 0.14 0.00 0.00 176.91 176.81 1cey h ARG 18 N 0.26 -0.44 -0.88 0.39 3.08 -1.88 -0.96 114.38 113.94 1cey h ARG 18 Ca 0.44 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.60 1cey h ARG 18 Cb 0.78 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 1cey h ARG 18 CO -0.54 -0.29 0.54 0.00 -1.07 0.00 0.00 179.97 178.60 1cey h ARG 19 N -0.46 0.91 0.01 0.04 3.08 -1.59 0.12 114.38 116.50 1cey h ARG 19 Ca 0.09 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1cey h ARG 19 Cb 0.61 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1cey h ARG 19 CO -0.41 0.61 -0.24 0.82 -1.07 0.00 0.00 179.97 179.68 1cey h ILE 20 N 0.94 0.45 -0.20 2.04 2.04 -0.50 -1.00 117.51 121.29 1cey h ILE 20 Ca 0.40 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.18 1cey h ILE 20 Cb 0.26 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1cey h ILE 20 CO -0.20 0.00 -0.18 -0.37 0.00 0.00 0.00 178.15 177.39 1cey h VAL 21 N -0.38 1.33 -0.42 1.67 -1.51 -0.88 -0.81 116.25 115.25 1cey h VAL 21 Ca 0.06 -1.33 0.09 0.00 -1.23 0.00 0.00 66.70 64.28 1cey h VAL 21 Cb 0.45 1.75 -0.09 0.00 -2.13 0.00 0.00 31.29 31.27 1cey h VAL 21 CO -0.21 0.41 -0.25 0.03 -1.23 0.00 0.00 177.57 176.32 1cey h ARG 22 N 0.15 -0.17 0.62 5.19 3.08 -0.56 0.04 114.38 122.74 1cey h ARG 22 Ca 0.03 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1cey h ARG 22 Cb 0.72 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.81 1cey h ARG 22 CO 0.05 -0.11 -0.30 -0.97 -1.07 0.00 0.00 179.97 177.57 1cey h ASN 23 N -0.17 -0.71 -0.97 7.04 -1.24 -1.17 -1.27 115.58 117.10 1cey h ASN 23 Ca 0.20 -0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.29 1cey h ASN 23 Cb 0.49 0.18 -0.12 0.00 0.73 0.00 0.00 38.32 39.60 1cey h ASN 23 CO -0.52 -0.44 -0.56 -0.11 -1.29 0.00 0.00 177.43 174.51 1cey n LEU 24 N -5.41 -1.01 -0.08 0.34 7.94 -0.31 0.53 117.00 118.99 1cey n LEU 24 Ca -0.13 1.72 -0.09 0.00 -1.11 0.00 0.00 56.01 56.40 1cey n LEU 24 Cb 0.35 -0.23 -0.01 0.00 0.53 0.00 0.00 43.42 44.06 1cey n LEU 24 CO 0.36 -1.41 0.98 -0.07 -1.11 0.00 0.00 177.39 176.14 1cey h LEU 25 N 0.00 0.29 -1.67 -1.96 3.38 -0.98 -0.98 115.31 113.39 1cey h LEU 25 Ca 0.16 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1cey h LEU 25 Cb 0.40 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1cey h LEU 25 CO -0.91 0.21 0.52 0.50 0.09 0.00 0.00 178.44 178.86 1cey h LYS 26 N 0.36 0.30 -0.85 1.13 3.64 0.97 0.25 116.57 122.37 1cey h LYS 26 Ca 0.11 -0.02 0.21 0.00 -1.27 0.00 0.00 60.65 59.68 1cey h LYS 26 Cb -0.01 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1cey h LYS 26 CO -0.05 0.20 0.58 1.49 -2.27 0.00 0.00 179.45 179.40 1cey h GLU 27 N 0.31 0.26 0.00 1.90 4.22 0.15 -2.96 114.58 118.45 1cey h GLU 27 Ca 0.38 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.81 1cey h GLU 27 Cb 1.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1cey h GLU 27 CO -0.10 0.17 -0.01 -0.07 -2.18 0.00 0.00 179.01 176.82 1cey h LEU 28 N 0.26 0.00 0.00 1.64 4.07 -0.56 -3.48 115.31 117.24 1cey h LEU 28 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1cey h LEU 28 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1cey h LEU 28 CO -0.11 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 1cey n GLY 29 N 1.94 0.00 3.72 0.83 0.00 -1.12 -5.09 105.19 105.46 1cey n GLY 29 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.51 -0.51 1.61 0.08 -1.24 -3.83 117.98 117.61 1cey s PHE 30 Ca 0.00 0.96 0.07 0.00 0.12 0.00 0.00 56.93 58.08 1cey s PHE 30 Cb 0.00 -2.62 0.26 0.00 -0.57 0.00 0.00 43.02 40.09 1cey s PHE 30 CO 0.00 0.13 0.66 0.09 -0.10 0.00 0.00 175.22 175.99 1cey n ASN 31 N 3.80 2.07 -3.15 1.36 5.03 -1.18 -4.03 115.26 119.17 1cey n ASN 31 Ca -0.06 -3.10 0.06 0.00 0.87 0.00 0.00 54.58 52.35 1cey n ASN 31 Cb 0.51 -0.65 -0.01 0.00 -1.02 0.00 0.00 39.78 38.62 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1cey s ASN 32 N -1.96 -0.19 -0.04 6.41 3.84 -1.26 -4.94 114.94 116.80 1cey s ASN 32 Ca 0.38 0.05 -0.15 0.00 0.21 0.00 0.00 52.86 53.36 1cey s ASN 32 Cb 0.18 1.14 0.03 0.00 -0.55 0.00 0.00 41.25 42.04 1cey s ASN 32 CO -0.06 -0.04 0.33 -0.69 -2.79 0.00 0.00 177.10 173.85 1cey s VAL 33 N 2.98 0.05 0.07 -5.21 1.01 -1.26 -2.52 120.40 115.51 1cey s VAL 33 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1cey s VAL 33 Cb -0.03 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1cey s VAL 33 CO -0.17 -0.21 0.00 -0.62 0.00 0.00 0.00 175.10 174.10 1cey n GLU 34 N 1.54 1.75 -3.75 2.72 -0.58 -1.04 -4.99 120.64 116.29 1cey n GLU 34 Ca -0.20 -0.54 -0.13 0.00 -0.42 0.00 0.00 57.16 55.87 1cey n GLU 34 Cb 0.56 0.15 -0.08 0.00 -0.57 0.00 0.00 31.44 31.50 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 -2.26 0.69 0.18 3.49 2.02 -1.26 -2.68 118.70 118.87 1cey s GLU 35 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 54.97 54.68 1cey s GLU 35 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1cey s GLU 35 CO 0.00 -0.19 0.36 0.00 0.02 0.00 0.00 175.26 175.45 1cey s ALA 36 N -1.40 -0.25 -0.10 5.21 0.00 -1.01 -4.96 121.76 119.25 1cey s ALA 36 Ca -0.13 -0.72 0.22 0.00 0.00 0.00 0.00 51.96 51.33 1cey s ALA 36 Cb -0.05 0.88 0.45 0.00 0.00 0.00 0.00 23.12 24.40 1cey s ALA 36 CO 0.04 -0.70 1.17 0.39 0.00 0.00 0.00 175.76 176.65 1cey n GLU 37 N -0.26 0.80 0.00 0.00 4.71 -1.26 -2.94 120.64 121.69 1cey n GLU 37 Ca -0.08 -2.64 0.00 0.00 -0.01 0.00 0.00 57.16 54.44 1cey n GLU 37 Cb 0.63 -0.71 0.00 0.00 -1.01 0.00 0.00 31.44 30.35 1cey n GLU 37 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1cey n ASP 38 N -0.04 0.00 -0.19 1.62 2.03 -1.26 -4.59 116.55 114.11 1cey n ASP 38 Ca 0.10 0.00 0.29 0.00 0.52 0.00 0.00 54.79 55.71 1cey n ASP 38 Cb 1.00 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 42.13 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1cey h GLY 39 N 0.00 0.00 2.00 0.27 0.00 -1.96 1.46 103.07 104.84 1cey h GLY 39 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1cey h GLY 39 CO 0.00 0.00 -0.58 -0.24 0.00 0.00 0.00 176.54 175.72 1cey h VAL 40 N 0.00 1.25 0.20 4.60 3.04 -1.99 -1.88 116.25 121.47 1cey h VAL 40 Ca 0.44 -2.09 -0.29 0.00 -1.01 0.00 0.00 66.70 63.75 1cey h VAL 40 Cb 1.78 2.18 0.03 0.00 -2.01 0.00 0.00 31.29 33.27 1cey h VAL 40 CO -0.00 0.57 -1.31 -0.78 -1.01 0.00 0.00 177.57 175.03 1cey h ASP 41 N 0.00 0.66 -0.66 3.17 1.82 0.15 -2.59 116.42 118.96 1cey h ASP 41 Ca -0.01 -0.93 -0.03 0.00 -0.39 0.00 0.00 57.03 55.68 1cey h ASP 41 Cb 1.13 -0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.90 1cey h ASP 41 CO 0.08 1.62 0.32 0.00 -1.61 0.00 0.00 179.24 179.65 1cey h ALA 42 N 0.10 1.28 -0.27 -0.78 0.00 -0.42 -1.30 119.26 117.88 1cey h ALA 42 Ca -0.24 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1cey h ALA 42 Cb 1.96 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1cey h ALA 42 CO 0.20 0.55 -0.39 -0.07 0.00 0.00 0.00 179.25 179.54 1cey h LEU 43 N 0.97 0.81 -1.91 0.00 3.38 -1.41 0.28 115.31 117.43 1cey h LEU 43 Ca 0.24 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1cey h LEU 43 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1cey h LEU 43 CO -0.03 1.16 -0.12 0.78 0.09 0.00 0.00 178.44 180.32 1cey h ASN 44 N 0.47 0.00 0.00 -0.43 2.35 -1.04 -0.79 115.58 116.14 1cey h ASN 44 Ca 0.03 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.62 1cey h ASN 44 Cb 0.99 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 1cey h ASN 44 CO 0.09 0.12 -1.02 0.29 -1.65 0.00 0.00 177.43 175.26 1cey n LYS 45 N -3.97 0.53 0.33 0.81 4.76 -0.53 -3.92 118.16 116.17 1cey n LYS 45 Ca -0.02 0.56 0.18 0.00 -2.87 0.00 0.00 58.31 56.16 1cey n LYS 45 Cb 0.21 -1.73 0.99 0.00 -1.84 0.00 0.00 35.03 32.66 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cey h LEU 46 N -1.00 0.00 -1.91 -0.35 3.38 -0.42 0.21 115.31 115.22 1cey h LEU 46 Ca -0.23 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.96 1cey h LEU 46 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1cey h LEU 46 CO -0.14 0.00 0.65 -0.61 0.09 0.00 0.00 178.44 178.43 1cey h GLN 47 N 0.00 0.00 0.00 1.13 4.15 -1.26 -1.83 115.11 117.30 1cey h GLN 47 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1cey h GLN 47 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1cey h GLN 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.90 1cey n ALA 48 N -2.55 -0.13 0.00 3.38 0.00 0.73 -4.96 120.51 116.99 1cey n ALA 48 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1cey n ALA 48 Cb 0.93 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.63 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 -0.93 0.64 0.34 0.00 0.00 -0.69 -5.06 105.19 99.49 1cey n GLY 49 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 0.05 3.40 -0.02 0.00 -1.26 -5.06 105.19 102.29 1cey n GLY 50 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.76 -2.00 1.61 2.02 -1.26 -4.49 117.35 116.98 1cey s TYR 51 Ca 0.00 -2.20 0.04 0.00 -0.37 0.00 0.00 57.07 54.54 1cey s TYR 51 Cb 0.00 -4.07 0.23 0.00 -0.40 0.00 0.00 41.96 37.72 1cey s TYR 51 CO 0.00 -1.20 0.69 0.41 -1.57 0.00 0.00 175.55 173.88 1cey n GLY 52 N 3.80 -0.13 3.52 0.71 0.00 -1.16 -4.62 105.19 107.31 1cey n GLY 52 Ca 0.27 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.00 -0.53 -0.14 1.61 5.36 -0.65 -4.03 117.98 117.59 1cey s PHE 53 Ca 0.06 0.77 -0.07 0.00 -0.96 0.00 0.00 56.93 56.73 1cey s PHE 53 Cb 0.03 0.46 0.06 0.00 -0.34 0.00 0.00 43.02 43.22 1cey s PHE 53 CO 0.04 -0.58 0.34 0.08 -1.46 0.00 0.00 175.22 173.65 1cey s VAL 54 N -1.82 -0.09 -0.15 3.12 1.01 -0.97 -2.44 120.40 119.05 1cey s VAL 54 Ca -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1cey s VAL 54 Cb -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1cey s VAL 54 CO 0.02 0.05 -0.09 -0.63 0.00 0.00 0.00 175.10 174.45 1cey s ILE 55 N 1.48 3.32 0.18 2.22 1.01 -0.32 -1.98 121.20 127.12 1cey s ILE 55 Ca -0.08 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1cey s ILE 55 Cb -0.10 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1cey s ILE 55 CO -0.11 0.50 -0.04 -0.94 0.00 0.00 0.00 174.94 174.36 1cey s SER 56 N 0.48 1.59 0.00 3.58 1.04 -1.23 -2.66 113.70 116.51 1cey s SER 56 Ca -0.07 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1cey s SER 56 Cb -0.15 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1cey s SER 56 CO 0.04 -0.47 0.00 0.47 0.98 0.00 0.00 173.24 174.26 1cey n ASP 57 N -0.27 0.00 0.00 7.02 9.92 -1.26 -1.38 116.55 130.58 1cey n ASP 57 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1cey n ASP 57 Cb 0.62 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 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 0.00 -0.78 -3.60 1.24 -0.00 -1.26 -4.05 117.44 108.99 1cey n TRP 58 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.13 1cey n TRP 58 Cb 0.00 0.16 -0.06 0.00 -0.00 0.00 0.00 31.31 31.40 1cey n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1cey s ASN 59 N -1.39 6.61 0.04 5.87 3.84 -1.26 0.13 114.94 128.77 1cey s ASN 59 Ca 0.00 0.72 -0.00 0.00 0.21 0.00 0.00 52.86 53.79 1cey s ASN 59 Cb 0.00 -2.19 -0.03 0.00 -0.55 0.00 0.00 41.25 38.48 1cey s ASN 59 CO 0.00 0.28 -0.03 -0.04 -2.79 0.00 0.00 177.10 174.52 1cey s MET 60 N -0.62 0.48 0.00 0.43 -1.94 -1.26 -4.45 119.30 111.93 1cey s MET 60 Ca 0.20 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 1cey s MET 60 Cb -0.15 0.14 0.00 0.00 2.01 0.00 0.00 34.83 36.84 1cey s MET 60 CO 0.09 -0.08 0.44 -2.30 -0.01 0.00 0.00 175.02 173.15 1cey n PRO 61 N 0.81 0.00 -3.74 2.03 -0.01 -1.26 -3.98 135.00 128.84 1cey n PRO 61 Ca -0.19 0.04 -0.28 0.00 -0.01 0.00 0.00 63.50 63.06 1cey n PRO 61 Cb 0.58 -1.51 -0.16 0.00 -0.01 0.00 0.00 33.50 32.40 1cey n PRO 61 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1cey s ASN 62 N -1.87 3.21 0.00 2.55 2.20 -1.26 -5.00 114.94 114.77 1cey s ASN 62 Ca 0.00 -1.01 0.00 0.00 -0.94 0.00 0.00 52.86 50.91 1cey s ASN 62 Cb 0.00 -0.68 0.00 0.00 -2.00 0.00 0.00 41.25 38.57 1cey s ASN 62 CO 0.00 -0.32 0.00 0.23 -2.94 0.00 0.00 177.10 174.07 1cey n MET 63 N 4.99 0.00 -3.58 3.55 2.81 -1.26 -4.49 117.12 119.15 1cey n MET 63 Ca -0.08 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.72 1cey n MET 63 Cb 0.46 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.92 1cey n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cey s ASP 64 N -4.00 -0.33 0.00 7.83 1.01 -1.26 -4.45 116.67 115.47 1cey s ASP 64 Ca 0.00 0.34 0.02 0.00 0.71 0.00 0.00 52.55 53.62 1cey s ASP 64 Cb 0.00 0.27 0.10 0.00 1.01 0.00 0.00 42.92 44.30 1cey s ASP 64 CO 0.00 -0.32 0.56 0.61 0.21 0.00 0.00 175.17 176.23 1cey n GLY 65 N 0.65 -0.46 0.14 0.21 0.00 0.34 -3.20 105.19 102.87 1cey n GLY 65 Ca -0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1cey n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cey h LEU 66 N 0.00 -0.21 -0.37 0.99 3.38 -1.91 -2.80 115.31 114.39 1cey h LEU 66 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1cey h LEU 66 Cb 0.00 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1cey h LEU 66 CO 0.00 0.15 0.00 1.21 0.09 0.00 0.00 178.44 179.89 1cey n GLU 67 N -5.05 0.20 0.23 1.13 0.00 -1.19 -1.96 120.64 114.00 1cey n GLU 67 Ca -0.09 0.31 -0.13 0.00 0.00 0.00 0.00 57.16 57.26 1cey n GLU 67 Cb 0.23 -1.80 -0.07 0.00 0.00 0.00 0.00 31.44 29.80 1cey n GLU 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1cey h LEU 68 N 0.00 -0.53 -0.37 4.31 5.85 -1.64 -2.73 115.31 120.21 1cey h LEU 68 Ca 0.00 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.45 1cey h LEU 68 Cb 0.50 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 1cey h LEU 68 CO 0.00 -0.14 -0.72 0.25 -0.34 0.00 0.00 178.44 177.49 1cey h LEU 69 N -1.00 0.58 -0.72 2.25 5.85 -1.53 -3.12 115.31 117.61 1cey h LEU 69 Ca -0.06 -0.37 0.16 0.00 0.84 0.00 0.00 57.88 58.44 1cey h LEU 69 Cb 0.58 -0.17 -0.13 0.00 0.37 0.00 0.00 40.66 41.31 1cey h LEU 69 CO 0.10 1.12 -0.01 0.50 -0.34 0.00 0.00 178.44 179.82 1cey h LYS 70 N 0.34 0.10 -0.31 1.25 3.64 -1.43 -0.63 116.57 119.53 1cey h LYS 70 Ca -0.03 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1cey h LYS 70 Cb 1.30 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 1cey h LYS 70 CO 0.13 0.06 -0.52 1.15 -2.27 0.00 0.00 179.45 178.00 1cey h THR 71 N 0.10 0.03 -1.00 1.00 2.02 -1.42 2.05 112.91 115.69 1cey h THR 71 Ca 0.39 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.79 1cey h THR 71 Cb 0.67 0.03 -0.12 0.00 -1.74 0.00 0.00 68.15 66.99 1cey h THR 71 CO -0.64 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.25 1cey h ILE 72 N -0.45 0.62 0.00 3.11 2.04 -1.25 0.95 117.51 122.52 1cey h ILE 72 Ca 0.07 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1cey h ILE 72 Cb 0.63 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1cey h ILE 72 CO -0.53 0.12 -0.30 -1.14 0.00 0.00 0.00 178.15 176.30 1cey n ARG 73 N -4.83 0.04 -0.00 2.37 0.00 0.66 -3.62 116.66 111.29 1cey n ARG 73 Ca 0.25 0.02 -0.02 0.00 -0.00 0.00 0.00 57.85 58.10 1cey n ARG 73 Cb 0.66 -1.53 -0.11 0.00 0.00 0.00 0.00 32.46 31.48 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey n ALA 74 N -1.54 1.87 -1.01 5.13 0.00 0.66 -4.93 120.51 120.69 1cey n ALA 74 Ca 0.06 -0.70 -0.35 0.00 0.00 0.00 0.00 53.44 52.45 1cey n ALA 74 Cb 0.35 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.84 -3.98 -0.12 0.00 8.00 0.13 -4.80 116.55 112.94 1cey n ASP 75 Ca -0.14 0.33 -0.06 0.00 0.71 0.00 0.00 54.79 55.63 1cey n ASP 75 Cb 0.90 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1cey n ASP 75 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cey h GLY 76 N -0.96 -0.04 -6.72 0.44 0.00 -1.92 -3.39 103.07 90.47 1cey h GLY 76 Ca -0.44 0.32 -0.30 0.00 0.00 0.00 0.00 47.33 46.91 1cey h GLY 76 CO 0.31 -0.21 -0.61 0.00 0.00 0.00 0.00 176.54 176.04 1cey s ALA 77 N -6.08 -0.39 0.00 3.60 0.00 -1.26 -4.97 121.76 112.66 1cey s ALA 77 Ca -0.15 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1cey s ALA 77 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1cey s ALA 77 CO 0.69 -1.25 0.53 -1.33 0.00 0.00 0.00 175.76 174.41 1cey n MET 78 N 5.32 0.00 0.00 0.00 2.00 -1.26 -4.83 117.12 118.35 1cey n MET 78 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 57.70 57.17 1cey n MET 78 Cb 0.49 -0.39 0.13 0.00 0.00 0.00 0.00 33.22 33.45 1cey n MET 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1cey n SER 79 N 0.00 0.00 0.06 7.83 7.64 -1.26 -1.47 113.62 126.42 1cey n SER 79 Ca 0.00 -0.39 0.12 0.00 1.01 0.00 0.00 58.87 59.60 1cey n SER 79 Cb 0.54 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.86 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey h ALA 80 N 2.05 0.51 -3.06 -0.43 0.00 -1.98 -3.42 119.26 112.92 1cey h ALA 80 Ca 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.21 1cey h ALA 80 Cb 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.45 1cey h ALA 80 CO 0.00 0.00 -0.50 -1.17 0.00 0.00 0.00 179.25 177.58 1cey s LEU 81 N -4.30 5.33 0.35 0.00 2.96 -0.54 -5.02 118.68 117.45 1cey s LEU 81 Ca 0.05 -2.09 -0.29 0.00 -0.22 0.00 0.00 54.13 51.58 1cey s LEU 81 Cb 0.13 -1.86 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 1cey s LEU 81 CO 0.75 -0.55 1.47 -2.84 -1.32 0.00 0.00 176.35 173.86 1cey s PRO 82 N 1.07 4.15 -0.15 0.98 0.02 -1.26 -4.89 135.00 134.92 1cey s PRO 82 Ca 0.09 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1cey s PRO 82 Cb -0.23 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.32 1cey s PRO 82 CO -0.04 -0.49 -0.13 0.08 -0.33 0.00 0.00 177.00 176.09 1cey s VAL 83 N -0.90 1.55 -0.42 3.83 1.01 -1.26 -2.30 120.40 121.91 1cey s VAL 83 Ca 0.54 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 1cey s VAL 83 Cb -0.45 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.48 1cey s VAL 83 CO 0.58 0.43 0.35 -0.22 0.00 0.00 0.00 175.10 176.24 1cey s LEU 84 N 1.49 5.06 0.26 3.92 2.96 -0.84 -1.24 118.68 130.29 1cey s LEU 84 Ca 0.04 -0.85 -0.17 0.00 -0.22 0.00 0.00 54.13 52.93 1cey s LEU 84 Cb -0.13 -2.23 -0.08 0.00 0.50 0.00 0.00 46.19 44.25 1cey s LEU 84 CO -0.10 -0.50 0.71 -0.32 -1.32 0.00 0.00 176.35 174.82 1cey s MET 85 N 1.82 4.12 0.02 1.98 -2.45 -0.50 -3.51 119.30 120.79 1cey s MET 85 Ca 0.07 0.75 0.03 0.00 -1.25 0.00 0.00 55.69 55.29 1cey s MET 85 Cb -0.19 -2.70 -0.02 0.00 1.25 0.00 0.00 34.83 33.18 1cey s MET 85 CO 0.11 0.30 -0.10 0.54 1.05 0.00 0.00 175.02 176.92 1cey s VAL 86 N -1.71 0.79 0.29 10.11 0.11 -0.48 -2.25 120.40 127.27 1cey s VAL 86 Ca 0.47 -0.75 -0.08 0.00 -2.93 0.00 0.00 61.98 58.69 1cey s VAL 86 Cb -0.14 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 1cey s VAL 86 CO 0.19 -0.01 0.47 0.28 -3.33 0.00 0.00 175.10 172.71 1cey s THR 87 N -0.70 0.00 0.09 5.04 -1.32 -0.92 -4.02 115.64 113.80 1cey s THR 87 Ca -0.00 -1.50 0.07 0.00 -1.21 0.00 0.00 61.69 59.05 1cey s THR 87 Cb -0.06 -2.45 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1cey s THR 87 CO 0.00 0.00 -0.12 0.00 -2.21 0.00 0.00 174.62 172.30 1cey s ALA 88 N -3.53 2.88 -0.31 11.08 0.00 -1.26 0.13 121.76 130.74 1cey s ALA 88 Ca 0.26 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1cey s ALA 88 Cb -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1cey s ALA 88 CO 0.14 0.62 0.37 -1.91 0.00 0.00 0.00 175.76 174.98 1cey n GLU 89 N 0.92 -1.97 -2.81 0.00 4.07 -1.26 -4.85 120.64 114.73 1cey n GLU 89 Ca -0.14 1.72 -0.42 0.00 -0.06 0.00 0.00 57.16 58.26 1cey n GLU 89 Cb 0.52 -3.38 -0.04 0.00 -0.06 0.00 0.00 31.44 28.49 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cey s ALA 90 N -1.68 3.62 1.00 4.31 0.00 -1.26 -5.04 121.76 122.71 1cey s ALA 90 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1cey s ALA 90 Cb -0.03 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1cey s ALA 90 CO 0.63 -1.07 0.00 1.17 0.00 0.00 0.00 175.76 176.49 1cey n LYS 91 N 6.22 -0.59 -0.12 0.00 4.81 -1.26 -4.98 118.16 122.25 1cey n LYS 91 Ca 0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.34 1cey n LYS 91 Cb 0.47 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.40 1cey n LYS 91 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1cey n LYS 92 N -1.26 0.66 0.10 1.64 2.85 -1.26 -4.12 118.16 116.76 1cey n LYS 92 Ca 0.00 0.14 0.12 0.00 -1.05 0.00 0.00 58.31 57.52 1cey n LYS 92 Cb 0.00 -1.53 0.03 0.00 -0.65 0.00 0.00 35.03 32.88 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1cey h GLU 93 N 0.00 0.00 0.00 -1.58 4.81 -2.03 -3.33 114.58 112.45 1cey h GLU 93 Ca -0.57 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 1cey h GLU 93 Cb 1.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 1cey h GLU 93 CO -0.07 0.00 -0.28 -0.91 -0.73 0.00 0.00 179.01 177.02 1cey h ASN 94 N 0.00 0.00 0.40 1.04 4.21 -1.97 -3.16 115.58 116.10 1cey h ASN 94 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1cey h ASN 94 Cb 0.95 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 1cey h ASN 94 CO 0.00 0.26 0.00 -0.38 -1.29 0.00 0.00 177.43 176.02 1cey n ILE 95 N -3.16 0.94 -0.10 2.81 5.41 -1.25 -2.46 119.36 121.56 1cey n ILE 95 Ca 0.03 0.24 -0.22 0.00 1.00 0.00 0.00 62.75 63.79 1cey n ILE 95 Cb 0.64 -1.01 -0.12 0.00 -0.71 0.00 0.00 39.64 38.44 1cey n ILE 95 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1cey n ILE 96 N -1.43 1.56 -0.06 1.39 5.41 -1.19 -3.70 119.36 121.33 1cey n ILE 96 Ca 0.04 -0.09 0.23 0.00 1.00 0.00 0.00 62.75 63.93 1cey n ILE 96 Cb 0.14 -2.01 0.50 0.00 -0.71 0.00 0.00 39.64 37.56 1cey n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cey h ALA 97 N -0.46 2.59 -0.13 -1.39 0.00 -1.58 0.25 119.26 118.55 1cey h ALA 97 Ca -0.37 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1cey h ALA 97 Cb 1.38 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 1cey h ALA 97 CO -0.19 -1.34 -0.41 0.00 0.00 0.00 0.00 179.25 177.31 1cey h ALA 98 N 0.77 -0.56 -0.87 0.00 0.00 -1.61 0.27 119.26 117.26 1cey h ALA 98 Ca 0.35 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.49 1cey h ALA 98 Cb 2.27 0.76 -0.14 0.00 0.00 0.00 0.00 17.79 20.68 1cey h ALA 98 CO -0.00 -0.91 0.22 0.00 0.00 0.00 0.00 179.25 178.56 1cey h ALA 99 N 0.16 1.24 -0.70 0.00 0.00 0.79 6.19 119.26 126.94 1cey h ALA 99 Ca 0.08 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1cey h ALA 99 Cb 0.62 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1cey h ALA 99 CO -0.39 -0.46 0.46 1.96 0.00 0.00 0.00 179.25 180.82 1cey h GLN 100 N 0.20 0.89 0.00 0.00 1.08 -0.71 -3.41 115.11 113.16 1cey h GLN 100 Ca 0.54 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.69 1cey h GLN 100 Cb 1.08 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1cey h GLN 100 CO -0.66 0.59 0.00 0.00 -0.95 0.00 0.00 178.83 177.81 1cey n ALA 101 N -2.43 2.75 -1.31 3.87 0.00 0.81 -4.35 120.51 119.85 1cey n ALA 101 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1cey n ALA 101 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 2.91 -0.24 0.00 0.00 0.00 1.83 -4.53 105.19 105.16 1cey n GLY 102 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 11.38 0.00 -0.36 4.61 0.00 -1.11 -1.36 120.51 133.66 1cey n ALA 103 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1cey n ALA 103 Cb 0.44 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.93 1cey n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cey n SER 104 N 0.00 -0.62 -3.79 0.00 3.41 -0.37 -4.72 113.62 107.52 1cey n SER 104 Ca 0.00 1.65 -0.08 0.00 -0.26 0.00 0.00 58.87 60.17 1cey n SER 104 Cb 0.00 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1cey s GLY 105 N -3.53 0.22 -0.12 5.00 0.00 -1.21 -5.00 107.32 102.68 1cey s GLY 105 Ca -0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 1cey s GLY 105 CO 0.67 -0.33 0.00 -0.47 0.00 0.00 0.00 173.10 172.98 1cey s TYR 106 N -3.76 0.95 -0.15 1.90 5.04 -1.26 -1.40 117.35 118.66 1cey s TYR 106 Ca 0.16 -0.53 -0.00 0.00 -2.44 0.00 0.00 57.07 54.26 1cey s TYR 106 Cb -0.04 -0.96 -0.01 0.00 0.35 0.00 0.00 41.96 41.30 1cey s TYR 106 CO 0.09 -0.47 -0.14 0.54 -1.34 0.00 0.00 175.55 174.23 1cey s VAL 107 N 1.88 2.79 -0.50 3.14 0.11 -0.95 -5.01 120.40 121.86 1cey s VAL 107 Ca 0.03 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 1cey s VAL 107 Cb -0.14 -2.18 0.02 0.00 -1.53 0.00 0.00 36.38 32.55 1cey s VAL 107 CO -0.07 0.51 1.23 0.54 -3.33 0.00 0.00 175.10 173.99 1cey s VAL 108 N 0.73 4.05 0.73 2.04 0.11 -1.26 -2.18 120.40 124.63 1cey s VAL 108 Ca -0.06 1.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.89 1cey s VAL 108 Cb -0.15 -4.55 0.04 0.00 -1.53 0.00 0.00 36.38 30.19 1cey s VAL 108 CO 0.01 -1.07 1.11 -1.59 -3.33 0.00 0.00 175.10 170.24 1cey s LYS 109 N 4.79 2.39 0.67 1.54 -2.85 0.12 -4.45 119.74 121.96 1cey s LYS 109 Ca 0.50 1.34 -0.11 0.00 -1.00 0.00 0.00 55.97 56.69 1cey s LYS 109 Cb -0.09 -1.90 -0.01 0.00 -2.06 0.00 0.00 37.83 33.77 1cey s LYS 109 CO 0.30 -1.56 1.05 -1.25 0.10 0.00 0.00 175.35 173.99 1cey s PRO 110 N -4.46 3.09 0.09 1.78 0.05 -1.26 -4.64 135.00 129.66 1cey s PRO 110 Ca 0.65 0.95 0.01 0.00 0.05 0.00 0.00 61.00 62.66 1cey s PRO 110 Cb -0.20 -2.01 -0.04 0.00 0.05 0.00 0.00 34.50 32.30 1cey s PRO 110 CO 0.49 -0.97 -0.06 -0.59 0.05 0.00 0.00 177.00 175.92 1cey s PHE 111 N -3.00 0.82 0.10 0.56 -0.12 -1.26 -5.10 117.98 109.98 1cey s PHE 111 Ca 0.58 -0.95 -0.05 0.00 -0.05 0.00 0.00 56.93 56.47 1cey s PHE 111 Cb -0.14 -0.49 -0.05 0.00 -0.63 0.00 0.00 43.02 41.71 1cey s PHE 111 CO 0.53 -0.20 0.33 0.99 -0.05 0.00 0.00 175.22 176.82 1cey s THR 112 N -3.68 5.22 0.49 -4.49 2.01 -1.26 -4.84 115.64 109.09 1cey s THR 112 Ca 0.11 0.01 0.30 0.00 0.31 0.00 0.00 61.69 62.42 1cey s THR 112 Cb 0.06 -3.62 0.49 0.00 0.01 0.00 0.00 72.50 69.44 1cey s THR 112 CO -0.06 0.12 1.81 0.00 -0.69 0.00 0.00 174.62 175.81 1cey h ALA 113 N 3.11 2.78 -0.14 7.40 0.00 -1.98 1.87 119.26 132.29 1cey h ALA 113 Ca -0.47 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1cey h ALA 113 Cb 1.17 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 113 CO 0.72 -1.12 -0.50 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 114 N 1.51 0.89 0.14 0.00 0.00 -1.97 0.14 119.26 119.97 1cey h ALA 114 Ca 0.55 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1cey h ALA 114 Cb 1.91 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1cey h ALA 114 CO -0.10 0.66 -0.07 1.15 0.00 0.00 0.00 179.25 180.90 1cey h THR 115 N 0.30 0.00 -0.96 0.00 2.02 0.25 0.33 112.91 114.84 1cey h THR 115 Ca 0.01 -0.17 0.28 0.00 0.77 0.00 0.00 66.41 67.31 1cey h THR 115 Cb 0.98 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.25 1cey h THR 115 CO 0.08 0.00 0.45 0.25 0.37 0.00 0.00 175.52 176.68 1cey h LEU 116 N -0.36 0.36 0.00 2.58 5.85 -1.04 0.19 115.31 122.89 1cey h LEU 116 Ca -0.02 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1cey h LEU 116 Cb 0.15 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1cey h LEU 116 CO 0.03 -0.11 -0.00 -0.08 -0.34 0.00 0.00 178.44 177.94 1cey h GLU 117 N 0.32 -0.01 -0.95 1.25 4.81 -0.68 0.15 114.58 119.47 1cey h GLU 117 Ca 0.66 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 60.15 1cey h GLU 117 Cb 1.41 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.65 1cey h GLU 117 CO -0.60 0.18 0.45 1.49 -0.73 0.00 0.00 179.01 179.80 1cey h GLU 118 N -0.19 0.34 0.08 1.92 4.57 0.28 0.15 114.58 121.73 1cey h GLU 118 Ca -0.00 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 57.97 1cey h GLU 118 Cb 0.19 -0.08 0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1cey h GLU 118 CO 0.00 0.23 -0.80 0.87 -1.18 0.00 0.00 179.01 178.13 1cey h LYS 119 N 0.35 0.40 -0.72 1.92 1.57 -1.10 -3.28 116.57 115.71 1cey h LYS 119 Ca 0.64 -0.54 0.16 0.00 -1.87 0.00 0.00 60.65 59.04 1cey h LYS 119 Cb 1.33 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 33.70 1cey h LYS 119 CO -0.58 1.21 0.03 1.25 -0.57 0.00 0.00 179.45 180.79 1cey h LEU 120 N -0.16 -0.28 -0.01 2.94 5.85 0.19 -0.95 115.31 122.90 1cey h LEU 120 Ca -0.12 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1cey h LEU 120 Cb 1.56 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 42.84 1cey h LEU 120 CO 0.15 -0.15 -0.54 0.78 -0.34 0.00 0.00 178.44 178.35 1cey h ASN 121 N 0.13 -1.66 -0.99 1.25 4.21 -1.11 0.22 115.58 117.64 1cey h ASN 121 Ca 0.39 0.19 0.24 0.00 1.21 0.00 0.00 56.30 58.33 1cey h ASN 121 Cb 0.68 0.63 -0.08 0.00 -1.12 0.00 0.00 38.32 38.43 1cey h ASN 121 CO -0.61 -0.52 0.65 0.11 -1.29 0.00 0.00 177.43 175.76 1cey h LYS 122 N -0.67 0.37 -0.15 0.81 1.79 -1.28 0.62 116.57 118.07 1cey h LYS 122 Ca 0.01 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1cey h LYS 122 Cb 0.72 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1cey h LYS 122 CO -0.36 0.25 -0.63 0.82 -1.08 0.00 0.00 179.45 178.44 1cey h ILE 123 N 0.39 1.31 0.00 1.86 2.04 -0.12 -2.97 117.51 120.02 1cey h ILE 123 Ca 0.54 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.52 1cey h ILE 123 Cb 1.39 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1cey h ILE 123 CO -0.23 0.58 0.00 0.49 0.00 0.00 0.00 178.15 179.00 1cey n PHE 124 N -4.07 0.00 0.09 1.37 3.01 0.55 -3.00 117.46 115.40 1cey n PHE 124 Ca -0.07 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.31 1cey n PHE 124 Cb 0.67 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.15 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 0.00 0.19 0.00 -1.08 4.81 -0.97 0.53 114.58 118.05 1cey h GLU 125 Ca 0.00 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 1cey h GLU 125 Cb 0.00 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1cey h GLU 125 CO 0.00 0.93 -1.31 -0.22 -0.73 0.00 0.00 179.01 177.68 1cey h LYS 126 N 0.11 0.00 0.08 1.92 3.64 -1.68 -3.32 116.57 117.32 1cey h LYS 126 Ca -0.04 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.07 1cey h LYS 126 Cb 1.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1cey h LYS 126 CO 0.13 0.34 -1.34 1.25 -2.27 0.00 0.00 179.45 177.55 1cey h LEU 127 N 0.00 0.27 -3.32 5.20 7.12 -1.52 -3.49 115.31 119.58 1cey h LEU 127 Ca -0.15 -0.34 -0.25 0.00 0.13 0.00 0.00 57.88 57.27 1cey h LEU 127 Cb 1.58 -0.09 0.01 0.00 -0.53 0.00 0.00 40.66 41.64 1cey h LEU 127 CO 0.05 1.27 -1.08 0.61 -0.13 0.00 0.00 178.44 179.16 1cey n GLY 128 N 1.54 -0.21 0.61 3.75 0.00 0.18 -5.07 105.19 105.99 1cey n GLY 128 Ca -0.10 0.92 0.13 0.00 0.00 0.00 0.00 46.02 46.97 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35