#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 1.48 -1.52 0.00 -0.08 -1.26 -4.85 116.55 110.32 1cey n ASP 3 Ca 0.00 0.93 -0.08 0.00 -1.51 0.00 0.00 54.79 54.13 1cey n ASP 3 Cb 0.00 -1.43 0.12 0.00 2.34 0.00 0.00 41.12 42.15 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cey n LYS 4 N -0.60 1.97 -2.22 -0.67 5.02 -1.26 -3.96 118.16 116.44 1cey n LYS 4 Ca 0.11 -1.54 -0.03 0.00 -2.02 0.00 0.00 58.31 54.83 1cey n LYS 4 Cb 0.44 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.17 1.00 -2.37 1.97 2.13 -1.25 -3.81 120.64 118.14 1cey n GLU 5 Ca 0.26 -1.32 -0.41 0.00 0.66 0.00 0.00 57.16 56.35 1cey n GLU 5 Cb 1.00 0.31 -0.04 0.00 0.27 0.00 0.00 31.44 32.98 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 -2.93 4.49 0.18 4.31 2.96 -1.25 -4.84 118.68 121.60 1cey s LEU 6 Ca 0.08 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 56.01 1cey s LEU 6 Cb 0.32 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 43.32 1cey s LEU 6 CO -0.09 -0.31 1.05 -0.54 -1.32 0.00 0.00 176.35 175.14 1cey s LYS 7 N -0.93 4.66 0.04 1.98 1.02 -1.26 -4.62 119.74 120.62 1cey s LYS 7 Ca 0.49 1.64 0.06 0.00 0.02 0.00 0.00 55.97 58.18 1cey s LYS 7 Cb -0.33 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1cey s LYS 7 CO 0.41 0.18 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.79 1cey s PHE 8 N -0.42 1.46 -0.20 3.18 0.40 -0.90 -0.53 117.98 120.97 1cey s PHE 8 Ca 0.47 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1cey s PHE 8 Cb -0.28 -0.87 0.02 0.00 0.51 0.00 0.00 43.02 42.40 1cey s PHE 8 CO 0.34 0.06 -0.15 -1.17 0.70 0.00 0.00 175.22 175.00 1cey s LEU 9 N -1.16 2.49 -0.44 -0.37 2.96 -0.86 -2.07 118.68 119.23 1cey s LEU 9 Ca 0.04 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.11 1cey s LEU 9 Cb -0.08 -1.54 0.08 0.00 0.50 0.00 0.00 46.19 45.15 1cey s LEU 9 CO 0.01 -0.04 0.32 0.68 -1.32 0.00 0.00 176.35 176.00 1cey s VAL 10 N 1.30 4.58 -0.32 1.68 -7.23 -1.07 0.13 120.40 119.46 1cey s VAL 10 Ca 0.03 -1.32 -0.13 0.00 -1.81 0.00 0.00 61.98 58.75 1cey s VAL 10 Cb -0.14 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 32.97 1cey s VAL 10 CO -0.10 -0.56 0.28 -0.69 -0.31 0.00 0.00 175.10 173.72 1cey s VAL 11 N 1.50 5.25 0.34 1.32 1.01 -1.02 -2.60 120.40 126.20 1cey s VAL 11 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1cey s VAL 11 Cb -0.24 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1cey s VAL 11 CO 0.03 0.03 0.47 -1.81 0.00 0.00 0.00 175.10 173.82 1cey s ASP 12 N 1.73 0.94 -0.05 3.32 1.01 -1.21 -3.62 116.67 118.78 1cey s ASP 12 Ca 0.09 -1.49 0.08 0.00 0.71 0.00 0.00 52.55 51.93 1cey s ASP 12 Cb -0.17 0.66 0.14 0.00 1.01 0.00 0.00 42.92 44.56 1cey s ASP 12 CO 0.11 -1.29 1.08 -0.90 0.21 0.00 0.00 175.17 174.38 1cey n ASP 13 N -1.41 2.25 -2.21 0.27 5.75 -1.26 -4.35 116.55 115.60 1cey n ASP 13 Ca 0.01 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 1cey n ASP 13 Cb 0.62 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1cey n PHE 14 N -0.73 -0.68 -0.88 2.11 -0.00 -1.26 -5.04 117.46 110.98 1cey n PHE 14 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.52 1cey n PHE 14 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.89 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1cey n SER 15 N -0.55 0.05 0.00 -2.13 2.88 -1.26 -4.83 113.62 107.79 1cey n SER 15 Ca 0.00 -0.93 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 1cey n SER 15 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1cey n THR 16 N -0.00 0.00 -0.02 2.46 5.66 -1.26 -4.89 114.28 116.23 1cey n THR 16 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 1cey n THR 16 Cb 0.22 1.13 -0.10 0.00 -1.55 0.00 0.00 70.33 70.02 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 0.35 -0.21 1.09 -1.53 -2.00 -3.09 114.93 109.53 1cey h MET 17 Ca 0.00 -0.33 0.06 0.00 -3.44 0.00 0.00 59.70 55.99 1cey h MET 17 Cb 0.66 0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.78 1cey h MET 17 CO 0.00 1.00 0.20 0.00 0.14 0.00 0.00 176.91 178.24 1cey h ARG 18 N -0.18 0.00 -0.02 0.39 -0.00 -1.93 0.85 114.38 113.48 1cey h ARG 18 Ca -0.04 0.00 -0.15 0.00 -0.50 0.00 0.00 59.98 59.29 1cey h ARG 18 Cb 1.12 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.07 1cey h ARG 18 CO 0.09 0.00 -0.67 0.00 0.00 0.00 0.00 179.97 179.38 1cey h ARG 19 N 0.00 0.10 0.32 0.04 2.47 -1.89 -2.55 114.38 112.87 1cey h ARG 19 Ca 0.10 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1cey h ARG 19 Cb 0.50 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1cey h ARG 19 CO -0.00 0.74 -0.15 0.82 0.56 0.00 0.00 179.97 181.93 1cey h ILE 20 N 0.07 0.70 -0.50 2.04 2.04 -0.80 -3.02 117.51 118.04 1cey h ILE 20 Ca -0.01 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1cey h ILE 20 Cb 1.20 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1cey h ILE 20 CO 0.10 0.09 0.21 -0.37 0.00 0.00 0.00 178.15 178.17 1cey h VAL 21 N -0.68 1.18 -0.49 1.67 -1.51 -1.58 -2.42 116.25 112.42 1cey h VAL 21 Ca -0.04 -0.55 0.09 0.00 -1.23 0.00 0.00 66.70 64.97 1cey h VAL 21 Cb 0.47 0.57 -0.10 0.00 -2.13 0.00 0.00 31.29 30.10 1cey h VAL 21 CO 0.07 0.22 -0.36 0.03 -1.23 0.00 0.00 177.57 176.30 1cey h ARG 22 N 0.71 -0.22 0.59 5.19 3.08 -1.32 -0.04 114.38 122.37 1cey h ARG 22 Ca 0.17 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1cey h ARG 22 Cb 0.12 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1cey h ARG 22 CO -0.02 -0.15 -0.29 -0.97 -1.07 0.00 0.00 179.97 177.48 1cey h ASN 23 N -0.23 -0.68 -0.38 7.04 -1.24 -1.47 -2.68 115.58 115.94 1cey h ASN 23 Ca 0.19 -0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.21 1cey h ASN 23 Cb 0.55 0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.73 1cey h ASN 23 CO -0.62 -0.30 -0.22 -0.11 -1.29 0.00 0.00 177.43 174.89 1cey n LEU 24 N -5.33 -0.40 -0.24 0.34 7.94 -0.93 0.85 117.00 119.23 1cey n LEU 24 Ca -0.11 1.16 0.05 0.00 -1.11 0.00 0.00 56.01 55.99 1cey n LEU 24 Cb 0.34 -0.33 0.17 0.00 0.53 0.00 0.00 43.42 44.13 1cey n LEU 24 CO 0.29 -0.79 0.93 -0.07 -1.11 0.00 0.00 177.39 176.64 1cey h LEU 25 N 0.00 0.01 -1.18 -1.96 3.38 -1.09 0.36 115.31 114.83 1cey h LEU 25 Ca 0.06 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1cey h LEU 25 Cb 0.15 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1cey h LEU 25 CO -0.35 -0.03 0.56 0.50 0.09 0.00 0.00 178.44 179.21 1cey h LYS 26 N 0.27 1.05 -0.90 1.13 3.64 0.81 -1.37 116.57 121.21 1cey h LYS 26 Ca 0.40 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.86 1cey h LYS 26 Cb 0.66 -0.24 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 1cey h LYS 26 CO -0.49 0.69 0.50 1.49 -2.27 0.00 0.00 179.45 179.37 1cey h GLU 27 N 1.08 0.69 0.40 1.90 4.81 0.42 -2.75 114.58 121.13 1cey h GLU 27 Ca 0.33 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1cey h GLU 27 Cb -0.00 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1cey h GLU 27 CO -0.09 0.46 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.38 1cey h LEU 28 N 0.72 -0.45 0.00 1.64 -0.00 -1.02 -3.47 115.31 112.71 1cey h LEU 28 Ca 0.48 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.38 1cey h LEU 28 Cb 0.65 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1cey h LEU 28 CO -0.34 -0.09 0.00 0.61 -0.00 0.00 0.00 178.44 178.62 1cey n GLY 29 N 0.27 0.00 3.27 0.83 0.00 -0.87 -5.13 105.19 103.55 1cey n GLY 29 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 1.69 -0.43 1.61 0.40 -1.09 -3.93 117.98 116.23 1cey s PHE 30 Ca 0.00 -0.43 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1cey s PHE 30 Cb 0.00 -0.92 0.27 0.00 0.51 0.00 0.00 43.02 42.88 1cey s PHE 30 CO 0.00 0.19 0.76 -1.71 0.70 0.00 0.00 175.22 175.16 1cey n ASN 31 N 1.05 -1.21 -3.07 1.36 2.85 -1.25 -3.67 115.26 111.32 1cey n ASN 31 Ca -0.19 -3.09 0.05 0.00 -0.11 0.00 0.00 54.58 51.23 1cey n ASN 31 Cb 0.54 0.61 0.00 0.00 1.24 0.00 0.00 39.78 42.17 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1cey s ASN 32 N -1.55 -0.43 0.01 1.20 3.04 -1.26 -5.01 114.94 110.94 1cey s ASN 32 Ca 0.33 -0.01 -0.15 0.00 0.04 0.00 0.00 52.86 53.07 1cey s ASN 32 Cb 0.23 1.11 0.02 0.00 -1.54 0.00 0.00 41.25 41.08 1cey s ASN 32 CO -0.15 -0.07 0.32 0.54 -3.04 0.00 0.00 177.10 174.70 1cey s VAL 33 N 2.74 0.07 0.00 -5.21 0.11 -1.26 -2.11 120.40 114.74 1cey s VAL 33 Ca 0.25 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1cey s VAL 33 Cb -0.01 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1cey s VAL 33 CO -0.21 -0.30 0.00 -0.62 -3.33 0.00 0.00 175.10 170.64 1cey n GLU 34 N 0.93 1.98 -3.80 1.54 -0.58 -0.88 -4.98 120.64 114.86 1cey n GLU 34 Ca -0.20 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.41 1cey n GLU 34 Cb 0.58 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.35 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 -1.19 0.50 0.00 3.49 2.02 -1.26 -2.61 118.70 119.64 1cey s GLU 35 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.94 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 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 175.26 175.17 1cey n ALA 36 N 1.90 0.00 -1.18 5.21 0.00 -1.07 -4.95 120.51 120.42 1cey n ALA 36 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 36 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 0.00 -3.91 0.00 0.28 -1.26 -3.35 120.64 112.40 1cey n GLU 37 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1cey n GLU 37 Cb 0.00 -0.35 0.02 0.00 1.43 0.00 0.00 31.44 32.54 1cey n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1cey s ASP 38 N 0.00 0.00 0.01 -1.84 2.15 -1.26 -4.81 116.67 110.92 1cey s ASP 38 Ca 0.00 -0.48 -0.25 0.00 0.43 0.00 0.00 52.55 52.25 1cey s ASP 38 Cb 0.00 0.36 -0.18 0.00 -0.30 0.00 0.00 42.92 42.80 1cey s ASP 38 CO 0.00 -0.71 1.31 1.23 -0.17 0.00 0.00 175.17 176.83 1cey h GLY 39 N 2.00 -0.19 1.17 2.66 0.00 -1.92 0.23 103.07 107.03 1cey h GLY 39 Ca -0.26 0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.25 1cey h GLY 39 CO 0.34 -0.07 0.31 -2.08 0.00 0.00 0.00 176.54 175.04 1cey h VAL 40 N -0.54 0.59 0.18 4.60 2.07 -1.97 0.28 116.25 121.46 1cey h VAL 40 Ca -0.02 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.26 1cey h VAL 40 Cb 0.42 0.77 0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1cey h VAL 40 CO 0.03 0.00 -1.07 -0.78 0.02 0.00 0.00 177.57 175.77 1cey h ASP 41 N 0.00 0.63 -0.29 0.57 3.58 -1.81 -2.56 116.42 116.54 1cey h ASP 41 Ca 0.17 -0.94 -0.08 0.00 0.42 0.00 0.00 57.03 56.60 1cey h ASP 41 Cb 0.79 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1cey h ASP 41 CO -0.00 1.52 -0.09 0.00 -2.88 0.00 0.00 179.24 177.79 1cey h ALA 42 N 0.12 1.10 -0.24 -0.78 0.00 0.14 0.60 119.26 120.20 1cey h ALA 42 Ca -0.19 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1cey h ALA 42 Cb 1.84 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1cey h ALA 42 CO 0.20 0.56 -0.50 1.25 0.00 0.00 0.00 179.25 180.76 1cey h LEU 43 N 0.63 0.74 0.00 0.00 5.85 -0.62 -1.29 115.31 120.63 1cey h LEU 43 Ca 0.11 -0.38 -0.16 0.00 0.84 0.00 0.00 57.88 58.30 1cey h LEU 43 Cb 0.52 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1cey h LEU 43 CO 0.03 1.11 -0.91 0.78 -0.34 0.00 0.00 178.44 179.12 1cey h ASN 44 N 0.53 0.00 1.06 1.25 2.35 -1.15 -3.28 115.58 116.34 1cey h ASN 44 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1cey h ASN 44 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1cey h ASN 44 CO 0.10 0.67 -0.38 1.17 -1.65 0.00 0.00 177.43 177.35 1cey n LYS 45 N -3.17 0.25 0.22 0.81 3.00 0.21 -3.51 118.16 115.98 1cey n LYS 45 Ca -0.02 0.12 0.14 0.00 -0.00 0.00 0.00 58.31 58.54 1cey n LYS 45 Cb 0.83 -1.71 0.35 0.00 0.00 0.00 0.00 35.03 34.50 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1cey h LEU 46 N 0.00 0.00 0.00 3.14 4.07 -1.29 -2.79 115.31 118.45 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1cey h LEU 46 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1cey h LEU 46 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1cey n GLN 47 N -3.00 0.17 0.00 1.13 6.02 -1.23 -2.96 117.38 117.51 1cey n GLN 47 Ca 0.03 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1cey n GLN 47 Cb 0.45 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey n ALA 48 N -1.28 -0.16 -1.63 -1.58 0.00 -1.05 -4.49 120.51 110.32 1cey n ALA 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1cey n ALA 48 Cb 0.10 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.00 -0.57 0.94 0.00 0.00 -1.25 -5.08 105.19 98.24 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 -1.83 3.76 -0.02 0.00 -1.16 -5.00 105.19 100.94 1cey n GLY 50 Ca 0.00 -0.45 -0.40 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 0.00 3.29 -1.63 1.61 1.51 -1.26 -4.91 117.35 115.96 1cey s TYR 51 Ca 0.00 1.57 0.25 0.00 -1.01 0.00 0.00 57.07 57.87 1cey s TYR 51 Cb 0.00 -3.46 0.41 0.00 -0.11 0.00 0.00 41.96 38.80 1cey s TYR 51 CO 0.00 -1.18 1.34 0.41 -1.11 0.00 0.00 175.55 175.01 1cey n GLY 52 N 0.94 -0.58 3.48 0.71 0.00 -1.18 -4.90 105.19 103.67 1cey n GLY 52 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.63 -0.61 -0.11 1.61 2.19 0.30 -4.45 117.98 114.29 1cey s PHE 53 Ca 0.19 1.37 -0.01 0.00 0.33 0.00 0.00 56.93 58.81 1cey s PHE 53 Cb 0.18 0.25 0.03 0.00 -1.31 0.00 0.00 43.02 42.17 1cey s PHE 53 CO 0.60 -0.38 -0.02 0.08 1.83 0.00 0.00 175.22 177.33 1cey s VAL 54 N -0.14 0.67 0.13 3.12 1.01 -1.09 -2.03 120.40 122.06 1cey s VAL 54 Ca -0.04 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1cey s VAL 54 Cb -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1cey s VAL 54 CO 0.03 0.22 0.24 -0.63 0.00 0.00 0.00 175.10 174.96 1cey s ILE 55 N 1.84 5.21 0.01 2.22 1.01 0.35 -2.39 121.20 129.45 1cey s ILE 55 Ca 0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1cey s ILE 55 Cb -0.13 -3.64 0.10 0.00 0.01 0.00 0.00 42.46 38.80 1cey s ILE 55 CO -0.07 -0.03 1.08 -0.94 0.00 0.00 0.00 174.94 174.99 1cey s SER 56 N -3.01 -0.18 0.00 3.58 1.04 -1.26 -2.43 113.70 111.44 1cey s SER 56 Ca 0.34 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1cey s SER 56 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1cey s SER 56 CO 0.28 -0.55 0.00 -0.90 0.98 0.00 0.00 173.24 173.05 1cey n ASP 57 N -0.36 0.00 0.13 7.02 5.75 -1.24 0.22 116.55 128.07 1cey n ASP 57 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 1cey n ASP 57 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 -3.52 -2.69 2.11 -0.00 -1.26 -3.42 117.44 108.66 1cey n TRP 58 Ca 0.00 0.88 -0.05 0.00 -0.00 0.00 0.00 57.50 58.32 1cey n TRP 58 Cb 0.00 2.37 0.06 0.00 -0.00 0.00 0.00 31.31 33.74 1cey n TRP 58 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1cey n ASN 59 N -3.11 -1.75 -0.09 5.87 2.04 -1.26 0.13 115.26 117.08 1cey n ASN 59 Ca 0.00 -2.02 -0.23 0.00 -0.44 0.00 0.00 54.58 51.89 1cey n ASN 59 Cb 0.00 0.99 -0.12 0.00 -2.53 0.00 0.00 39.78 38.13 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1cey n MET 60 N 1.78 0.61 0.00 -3.83 2.81 -1.26 -4.91 117.12 112.32 1cey n MET 60 Ca 0.05 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 1cey n MET 60 Cb 0.67 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1cey n MET 60 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1cey n PRO 61 N -4.18 1.00 0.06 0.03 -0.05 -1.26 -4.94 135.00 125.65 1cey n PRO 61 Ca -0.35 0.00 -0.21 0.00 -0.05 0.00 0.00 63.50 62.89 1cey n PRO 61 Cb 0.79 0.00 -0.12 0.00 -0.05 0.00 0.00 33.50 34.13 1cey n PRO 61 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 175.50 172.50 1cey h ASN 62 N 0.00 0.86 -3.87 3.54 7.08 -1.98 -3.44 115.58 117.76 1cey h ASN 62 Ca 0.00 -0.78 -0.47 0.00 -3.08 0.00 0.00 56.30 51.97 1cey h ASN 62 Cb 0.00 -0.26 -0.02 0.00 -2.08 0.00 0.00 38.32 35.96 1cey h ASN 62 CO 0.00 1.53 0.35 -0.04 -2.08 0.00 0.00 177.43 177.19 1cey s MET 63 N -3.17 4.61 0.28 4.14 -1.94 -1.26 -5.03 119.30 116.92 1cey s MET 63 Ca -0.10 1.35 -0.20 0.00 -1.71 0.00 0.00 55.69 55.03 1cey s MET 63 Cb 0.06 -2.84 -0.09 0.00 2.01 0.00 0.00 34.83 33.97 1cey s MET 63 CO 0.91 0.30 0.78 0.16 -0.01 0.00 0.00 175.02 177.16 1cey s ASP 64 N -1.58 7.03 0.33 3.03 1.47 -1.26 -4.58 116.67 121.12 1cey s ASP 64 Ca 0.49 1.48 0.25 0.00 1.18 0.00 0.00 52.55 55.95 1cey s ASP 64 Cb -0.19 -2.44 1.18 0.00 -0.34 0.00 0.00 42.92 41.12 1cey s ASP 64 CO 0.25 -0.07 1.74 1.23 0.68 0.00 0.00 175.17 179.00 1cey h GLY 65 N 2.99 0.00 0.00 2.12 0.00 0.67 -2.91 103.07 105.94 1cey h GLY 65 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1cey h GLY 65 CO 0.65 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 177.09 1cey n LEU 66 N -2.35 0.57 -0.20 3.11 0.00 -1.26 -1.10 117.00 115.78 1cey n LEU 66 Ca 0.00 0.51 0.30 0.00 0.00 0.00 0.00 56.01 56.83 1cey n LEU 66 Cb 0.14 -0.36 0.65 0.00 0.00 0.00 0.00 43.42 43.84 1cey n LEU 66 CO 0.16 -0.36 1.28 -0.08 0.00 0.00 0.00 177.39 178.38 1cey h GLU 67 N 0.00 0.00 -0.13 1.96 4.81 -1.97 1.78 114.58 121.03 1cey h GLU 67 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1cey h GLU 67 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1cey h GLU 67 CO 0.00 0.00 -0.10 1.25 -0.73 0.00 0.00 179.01 179.43 1cey h LEU 68 N 0.00 0.32 0.20 1.64 5.85 -1.51 -1.88 115.31 119.93 1cey h LEU 68 Ca 0.47 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1cey h LEU 68 Cb 2.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1cey h LEU 68 CO -0.00 0.70 -0.10 0.25 -0.34 0.00 0.00 178.44 178.95 1cey h LEU 69 N -0.06 -0.23 -1.84 2.25 6.46 0.41 -3.17 115.31 119.14 1cey h LEU 69 Ca 0.03 0.01 0.46 0.00 -0.12 0.00 0.00 57.88 58.25 1cey h LEU 69 Cb 0.60 0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.50 1cey h LEU 69 CO 0.03 0.11 1.09 0.50 -0.62 0.00 0.00 178.44 179.54 1cey h LYS 70 N -0.81 0.04 -0.64 1.25 3.64 -0.57 1.61 116.57 121.09 1cey h LYS 70 Ca -0.03 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1cey h LYS 70 Cb 0.21 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1cey h LYS 70 CO 0.05 0.02 0.23 1.15 -2.27 0.00 0.00 179.45 178.63 1cey h THR 71 N 0.04 1.24 -1.01 1.00 2.02 -1.34 -1.98 112.91 112.89 1cey h THR 71 Ca 0.79 -0.78 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1cey h THR 71 Cb 2.95 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 69.85 1cey h THR 71 CO -0.11 0.31 0.65 0.40 0.37 0.00 0.00 175.52 177.13 1cey h ILE 72 N 0.91 1.13 0.00 3.11 2.04 0.24 0.41 117.51 125.34 1cey h ILE 72 Ca 0.21 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1cey h ILE 72 Cb 0.24 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1cey h ILE 72 CO -0.01 0.22 0.00 -1.14 0.00 0.00 0.00 178.15 177.22 1cey n ARG 73 N -4.47 0.29 0.20 2.37 0.63 -0.76 -2.50 116.66 112.41 1cey n ARG 73 Ca 0.15 0.09 0.04 0.00 -0.92 0.00 0.00 57.85 57.21 1cey n ARG 73 Cb 0.14 -1.50 0.43 0.00 0.45 0.00 0.00 32.46 31.98 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cey h ALA 74 N 2.70 1.42 -2.82 5.13 0.00 0.04 -3.43 119.26 122.32 1cey h ALA 74 Ca 0.00 -0.28 -0.51 0.00 0.00 0.00 0.00 54.91 54.13 1cey h ALA 74 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1cey h ALA 74 CO 0.00 0.38 0.50 0.34 0.00 0.00 0.00 179.25 180.47 1cey s ASP 75 N -6.84 7.19 -1.16 0.00 -1.08 -1.04 -4.96 116.67 108.78 1cey s ASP 75 Ca -0.03 2.34 -0.12 0.00 -0.52 0.00 0.00 52.55 54.22 1cey s ASP 75 Cb 0.14 -2.63 0.22 0.00 -1.46 0.00 0.00 42.92 39.19 1cey s ASP 75 CO 0.70 -0.21 1.29 -0.83 0.52 0.00 0.00 175.17 176.64 1cey s GLY 76 N -0.80 2.77 0.00 2.66 0.00 -1.26 -3.99 107.32 106.70 1cey s GLY 76 Ca 0.45 -3.57 0.00 0.00 0.00 0.00 0.00 44.72 41.60 1cey s GLY 76 CO 0.43 1.73 0.00 0.00 0.00 0.00 0.00 173.10 175.25 1cey n ALA 77 N 4.34 0.00 0.41 3.20 0.00 -1.26 -4.93 120.51 122.26 1cey n ALA 77 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.82 1cey n ALA 77 Cb 0.41 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.57 2.23 0.00 0.00 2.81 -1.26 -5.00 117.12 115.32 1cey n MET 78 Ca 0.00 -1.77 0.00 0.00 -1.81 0.00 0.00 57.70 54.12 1cey n MET 78 Cb 0.00 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 1cey n MET 78 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cey n SER 79 N 0.88 0.00 0.00 7.83 7.64 -1.26 -2.04 113.62 126.68 1cey n SER 79 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1cey n SER 79 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N 11.22 1.76 -1.10 -0.43 0.00 -1.26 -3.48 120.51 127.21 1cey n ALA 80 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.16 1cey n ALA 80 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.03 -0.56 -4.75 0.00 4.32 -0.87 -4.66 117.00 110.45 1cey n LEU 81 Ca 0.00 1.28 -0.41 0.00 -0.02 0.00 0.00 56.01 56.86 1cey n LEU 81 Cb 0.10 -3.53 -0.02 0.00 -1.62 0.00 0.00 43.42 38.35 1cey n LEU 81 CO 0.00 -2.04 1.17 -2.84 -1.22 0.00 0.00 177.39 172.46 1cey s PRO 82 N -3.03 4.18 -0.01 3.23 0.02 -1.26 -4.81 135.00 133.31 1cey s PRO 82 Ca 0.00 2.47 0.04 0.00 0.02 0.00 0.00 61.00 63.53 1cey s PRO 82 Cb 0.00 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.47 1cey s PRO 82 CO 0.00 -0.52 -0.13 0.08 -0.33 0.00 0.00 177.00 176.10 1cey s VAL 83 N -0.24 1.03 -0.68 3.83 1.01 -1.18 -2.69 120.40 121.48 1cey s VAL 83 Ca 0.60 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1cey s VAL 83 Cb -0.45 -0.86 0.27 0.00 0.00 0.00 0.00 36.38 35.34 1cey s VAL 83 CO 0.49 0.29 0.87 -0.11 0.00 0.00 0.00 175.10 176.64 1cey n LEU 84 N 2.77 4.20 -4.73 3.92 7.94 -1.01 0.12 117.00 130.22 1cey n LEU 84 Ca -0.14 -5.46 -0.42 0.00 -1.11 0.00 0.00 56.01 48.88 1cey n LEU 84 Cb 0.55 -0.72 -0.03 0.00 0.53 0.00 0.00 43.42 43.76 1cey n LEU 84 CO 0.24 2.07 1.29 0.00 -1.11 0.00 0.00 177.39 179.89 1cey s MET 85 N -2.71 4.15 -0.10 1.96 0.23 -0.25 -4.05 119.30 118.53 1cey s MET 85 Ca 0.41 2.52 -0.01 0.00 -1.03 0.00 0.00 55.69 57.58 1cey s MET 85 Cb 0.16 -3.08 -0.03 0.00 -1.53 0.00 0.00 34.83 30.35 1cey s MET 85 CO -0.02 -0.67 -0.06 0.14 -2.03 0.00 0.00 175.02 172.38 1cey s VAL 86 N 0.81 3.78 0.06 5.16 -7.23 0.13 -2.39 120.40 120.71 1cey s VAL 86 Ca 0.70 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 1cey s VAL 86 Cb -0.47 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 33.89 1cey s VAL 86 CO 0.36 0.56 0.30 0.28 -0.31 0.00 0.00 175.10 176.29 1cey s THR 87 N -0.32 0.09 0.46 5.32 -1.32 -1.03 -4.24 115.64 114.59 1cey s THR 87 Ca 0.05 -0.73 -0.09 0.00 -1.21 0.00 0.00 61.69 59.71 1cey s THR 87 Cb -0.12 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.80 1cey s THR 87 CO 0.02 -0.40 0.81 0.00 -2.21 0.00 0.00 174.62 172.85 1cey s ALA 88 N -2.86 3.32 0.00 11.08 0.00 -1.26 -0.72 121.76 131.33 1cey s ALA 88 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1cey s ALA 88 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1cey s ALA 88 CO -0.05 -0.19 0.00 -1.91 0.00 0.00 0.00 175.76 173.61 1cey n GLU 89 N -1.74 0.00 -1.53 0.00 0.00 -1.26 -4.72 120.64 111.38 1cey n GLU 89 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 57.16 57.18 1cey n GLU 89 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 31.44 31.98 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cey n ALA 90 N 0.59 -3.02 -1.00 4.31 0.00 -1.26 -5.02 120.51 115.11 1cey n ALA 90 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1cey n ALA 90 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1cey n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cey n LYS 91 N 0.04 0.00 0.02 0.00 4.76 -1.26 -5.04 118.16 116.68 1cey n LYS 91 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1cey n LYS 91 Cb 0.01 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1cey n LYS 92 N 0.00 0.00 0.22 1.97 4.81 -1.26 -4.89 118.16 119.01 1cey n LYS 92 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1cey n LYS 92 Cb 0.00 0.00 0.50 0.00 0.02 0.00 0.00 35.03 35.55 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cey h GLU 93 N 0.00 0.00 0.00 1.64 5.08 -2.01 0.54 114.58 119.83 1cey h GLU 93 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1cey h GLU 93 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1cey h GLU 93 CO 0.00 0.00 -0.88 -0.91 -1.00 0.00 0.00 179.01 176.22 1cey h ASN 94 N 0.00 0.00 1.52 1.42 -0.26 -1.98 -3.12 115.58 113.15 1cey h ASN 94 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1cey h ASN 94 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 1cey h ASN 94 CO 0.00 0.88 -0.05 0.40 -1.06 0.00 0.00 177.43 177.59 1cey h ILE 95 N 0.00 0.00 0.00 2.81 1.08 -0.26 -3.20 117.51 117.94 1cey h ILE 95 Ca -0.01 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1cey h ILE 95 Cb 1.61 1.54 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 1cey h ILE 95 CO 0.11 0.00 -0.06 0.40 -0.69 0.00 0.00 178.15 177.92 1cey h ILE 96 N 0.00 0.00 -0.76 -0.67 2.04 -1.48 -2.77 117.51 113.88 1cey h ILE 96 Ca 0.00 -0.51 0.17 0.00 1.00 0.00 0.00 64.86 65.52 1cey h ILE 96 Cb 0.79 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.73 1cey h ILE 96 CO 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 178.14 1cey h ALA 97 N -1.49 0.76 0.07 1.87 0.00 -1.70 0.73 119.26 119.51 1cey h ALA 97 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 97 Cb 0.06 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1cey h ALA 97 CO 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 179.25 178.72 1cey h ALA 98 N 1.71 -0.17 -0.47 0.00 0.00 -1.71 -2.64 119.26 115.98 1cey h ALA 98 Ca 0.41 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1cey h ALA 98 Cb 0.72 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1cey h ALA 98 CO -0.67 -0.62 -0.00 0.00 0.00 0.00 0.00 179.25 177.96 1cey h ALA 99 N 0.70 0.44 -0.24 0.00 0.00 -0.61 0.56 119.26 120.11 1cey h ALA 99 Ca 0.02 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1cey h ALA 99 Cb 0.22 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1cey h ALA 99 CO -0.06 -0.39 0.65 0.37 0.00 0.00 0.00 179.25 179.83 1cey h GLN 100 N 0.11 0.00 0.00 0.00 4.15 -0.81 -3.35 115.11 115.21 1cey h GLN 100 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1cey h GLN 100 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1cey h GLN 100 CO -0.39 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 176.51 1cey n ALA 101 N -1.94 0.00 -0.24 3.38 0.00 0.20 -5.01 120.51 116.90 1cey n ALA 101 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1cey n ALA 101 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 0.02 0.04 0.00 0.00 -1.20 -4.70 105.19 104.35 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 -0.23 1.41 -0.27 4.61 0.00 -1.18 -3.10 120.51 121.75 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 0.06 -0.97 0.35 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.40 0.07 -4.74 0.00 7.64 -1.26 -4.05 113.62 110.87 1cey n SER 104 Ca 0.00 0.60 -0.35 0.00 1.01 0.00 0.00 58.87 60.12 1cey n SER 104 Cb 0.00 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.83 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 -3.53 2.04 -0.20 0.23 0.00 0.31 -4.95 107.32 101.23 1cey s GLY 105 Ca -0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 43.96 1cey s GLY 105 CO 0.40 0.08 0.17 -0.47 0.00 0.00 0.00 173.10 173.28 1cey s TYR 106 N 0.22 -0.06 -0.08 1.90 5.04 -1.26 -1.09 117.35 122.02 1cey s TYR 106 Ca 0.08 -0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.64 1cey s TYR 106 Cb -0.11 -0.52 -0.03 0.00 0.35 0.00 0.00 41.96 41.64 1cey s TYR 106 CO -0.01 -0.59 -0.01 0.54 -1.34 0.00 0.00 175.55 174.14 1cey s VAL 107 N 2.24 4.21 -0.25 3.14 0.11 -1.01 -4.99 120.40 123.85 1cey s VAL 107 Ca 0.05 -0.29 -0.27 0.00 -2.93 0.00 0.00 61.98 58.54 1cey s VAL 107 Cb -0.16 -2.76 0.01 0.00 -1.53 0.00 0.00 36.38 31.94 1cey s VAL 107 CO -0.13 0.60 0.97 -0.69 -3.33 0.00 0.00 175.10 172.53 1cey s VAL 108 N -0.85 4.70 0.30 2.04 1.01 -1.26 -2.47 120.40 123.87 1cey s VAL 108 Ca 0.13 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.79 1cey s VAL 108 Cb -0.11 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 31.93 1cey s VAL 108 CO 0.02 -0.21 0.66 -1.59 0.00 0.00 0.00 175.10 173.98 1cey s LYS 109 N 3.16 3.84 0.76 2.72 -2.85 0.10 -4.09 119.74 123.39 1cey s LYS 109 Ca 0.41 0.41 -0.11 0.00 -1.00 0.00 0.00 55.97 55.68 1cey s LYS 109 Cb -0.15 -2.52 0.05 0.00 -2.06 0.00 0.00 37.83 33.15 1cey s LYS 109 CO 0.08 0.18 1.08 -1.25 0.10 0.00 0.00 175.35 175.54 1cey s PRO 110 N -3.19 2.37 0.06 1.78 0.05 -1.26 -4.07 135.00 130.74 1cey s PRO 110 Ca 0.50 0.85 -0.00 0.00 0.05 0.00 0.00 61.00 62.40 1cey s PRO 110 Cb -0.11 -1.93 -0.04 0.00 0.05 0.00 0.00 34.50 32.47 1cey s PRO 110 CO 0.23 -1.47 -0.04 -0.59 0.05 0.00 0.00 177.00 175.18 1cey s PHE 111 N -3.06 0.57 0.09 0.56 -0.12 -1.26 -5.10 117.98 109.66 1cey s PHE 111 Ca 0.60 -1.00 0.01 0.00 -0.05 0.00 0.00 56.93 56.49 1cey s PHE 111 Cb -0.15 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 1cey s PHE 111 CO 0.55 -0.32 0.22 0.99 -0.05 0.00 0.00 175.22 176.61 1cey s THR 112 N -3.65 5.28 0.37 -4.49 2.01 -1.26 -4.89 115.64 109.01 1cey s THR 112 Ca 0.06 -0.52 0.14 0.00 0.31 0.00 0.00 61.69 61.68 1cey s THR 112 Cb 0.06 -3.62 0.14 0.00 0.01 0.00 0.00 72.50 69.09 1cey s THR 112 CO -0.08 0.07 1.35 0.00 -0.69 0.00 0.00 174.62 175.27 1cey h ALA 113 N 2.82 1.42 -0.08 7.40 0.00 -1.98 1.12 119.26 129.96 1cey h ALA 113 Ca -0.46 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1cey h ALA 113 Cb 1.17 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 113 CO 0.73 -0.42 -0.53 0.00 0.00 0.00 0.00 179.25 179.03 1cey h ALA 114 N 0.84 0.18 0.40 0.00 0.00 -1.98 0.16 119.26 118.87 1cey h ALA 114 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1cey h ALA 114 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1cey h ALA 114 CO 0.00 0.38 -0.19 1.79 0.00 0.00 0.00 179.25 181.23 1cey h THR 115 N 0.09 0.00 -1.12 0.00 1.35 0.93 0.22 112.91 114.37 1cey h THR 115 Ca -0.04 -0.22 0.32 0.00 -0.55 0.00 0.00 66.41 65.91 1cey h THR 115 Cb 1.18 0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 67.50 1cey h THR 115 CO 0.11 0.00 0.72 0.25 -0.25 0.00 0.00 175.52 176.35 1cey h LEU 116 N -0.76 0.37 0.48 3.87 5.85 -1.53 -1.14 115.31 122.45 1cey h LEU 116 Ca -0.06 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1cey h LEU 116 Cb 0.41 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1cey h LEU 116 CO 0.09 0.00 -0.23 -0.08 -0.34 0.00 0.00 178.44 177.88 1cey h GLU 117 N 0.29 -0.62 -0.70 1.25 4.81 -0.70 -2.65 114.58 116.25 1cey h GLU 117 Ca 0.66 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 60.06 1cey h GLU 117 Cb 1.84 0.14 -0.13 0.00 0.63 0.00 0.00 28.75 31.23 1cey h GLU 117 CO -0.33 -0.41 -0.31 1.49 -0.73 0.00 0.00 179.01 178.73 1cey h GLU 118 N -0.74 -0.09 -0.79 1.92 4.57 0.14 0.30 114.58 119.89 1cey h GLU 118 Ca -0.07 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.31 1cey h GLU 118 Cb 0.49 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.97 1cey h GLU 118 CO 0.11 -0.06 0.09 0.87 -1.18 0.00 0.00 179.01 178.84 1cey h LYS 119 N -0.09 0.15 0.35 1.92 1.79 -1.25 -0.70 116.57 118.74 1cey h LYS 119 Ca 0.29 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.74 1cey h LYS 119 Cb 0.56 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 1cey h LYS 119 CO -0.76 0.10 -0.26 1.25 -1.08 0.00 0.00 179.45 178.70 1cey h LEU 120 N 0.16 -0.68 -2.67 2.94 5.85 -0.03 -1.53 115.31 119.35 1cey h LEU 120 Ca 0.45 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.23 1cey h LEU 120 Cb 0.83 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1cey h LEU 120 CO -0.64 -0.40 0.09 0.78 -0.34 0.00 0.00 178.44 177.93 1cey h ASN 121 N -0.61 0.00 0.19 1.25 -0.26 -0.73 0.45 115.58 115.87 1cey h ASN 121 Ca -0.03 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.43 1cey h ASN 121 Cb 0.53 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.81 1cey h ASN 121 CO -0.00 0.00 -1.16 0.50 -1.06 0.00 0.00 177.43 175.71 1cey h LYS 122 N 0.00 0.57 0.08 0.81 3.11 -0.23 -2.47 116.57 118.44 1cey h LYS 122 Ca 0.01 -0.72 -0.34 0.00 -2.81 0.00 0.00 60.65 56.79 1cey h LYS 122 Cb 0.18 0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 31.61 1cey h LYS 122 CO -0.00 1.31 -1.89 -0.89 -2.81 0.00 0.00 179.45 175.17 1cey n ILE 123 N -3.77 1.73 -0.03 2.00 5.41 -0.59 -4.31 119.36 119.80 1cey n ILE 123 Ca -0.11 -0.71 -0.17 0.00 1.00 0.00 0.00 62.75 62.76 1cey n ILE 123 Cb 0.95 -1.49 -0.07 0.00 -0.71 0.00 0.00 39.64 38.31 1cey n ILE 123 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1cey h PHE 124 N 0.05 0.98 0.00 1.39 -1.00 -0.27 -2.16 116.94 115.92 1cey h PHE 124 Ca -0.37 -0.43 0.00 0.00 2.81 0.00 0.00 57.97 59.98 1cey h PHE 124 Cb 2.03 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 41.44 1cey h PHE 124 CO 0.05 1.24 0.42 1.49 -1.61 0.00 0.00 178.31 179.90 1cey h GLU 125 N 0.43 0.00 0.00 1.51 4.81 -1.60 1.81 114.58 121.54 1cey h GLU 125 Ca -0.04 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1cey h GLU 125 Cb 1.32 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.67 1cey h GLU 125 CO 0.14 0.00 -2.01 1.17 -0.73 0.00 0.00 179.01 177.59 1cey n LYS 126 N -2.64 0.66 0.16 1.92 3.00 -1.03 -4.12 118.16 116.12 1cey n LYS 126 Ca -0.01 -0.08 0.08 0.00 -0.00 0.00 0.00 58.31 58.30 1cey n LYS 126 Cb 0.45 -1.57 0.08 0.00 0.00 0.00 0.00 35.03 34.00 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 127 N 0.00 0.00 -2.59 3.14 6.46 0.31 -3.49 115.31 119.15 1cey h LEU 127 Ca -0.19 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.48 1cey h LEU 127 Cb 1.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 1cey h LEU 127 CO 0.01 0.19 -0.71 0.61 -0.62 0.00 0.00 178.44 177.92 1cey n GLY 128 N 1.17 -1.18 0.48 3.75 0.00 0.15 -5.07 105.19 104.50 1cey n GLY 128 Ca 0.02 1.16 0.14 0.00 0.00 0.00 0.00 46.02 47.33 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35