#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 -0.98 -1.29 0.00 8.00 -1.26 -4.80 116.55 116.21 1cey n ASP 3 Ca 0.00 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.39 1cey n ASP 3 Cb 0.00 -1.11 0.18 0.00 -0.02 0.00 0.00 41.12 40.17 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 0.58 2.68 -2.71 -1.24 4.76 -1.26 -3.97 118.16 117.01 1cey n LYS 4 Ca 0.11 -1.57 -0.03 0.00 -2.87 0.00 0.00 58.31 53.96 1cey n LYS 4 Cb 0.40 -1.82 0.11 0.00 -1.84 0.00 0.00 35.03 31.88 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cey n GLU 5 N 0.18 1.39 -2.22 1.97 1.02 -1.26 -3.72 120.64 118.00 1cey n GLU 5 Ca 0.17 -1.86 -0.43 0.00 -0.02 0.00 0.00 57.16 55.03 1cey n GLU 5 Cb 0.81 -0.12 -0.02 0.00 -0.02 0.00 0.00 31.44 32.08 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -3.83 4.23 0.16 -4.62 2.96 -1.25 -4.86 118.68 111.47 1cey s LEU 6 Ca 0.16 1.93 -0.32 0.00 -0.22 0.00 0.00 54.13 55.68 1cey s LEU 6 Cb 0.42 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.47 1cey s LEU 6 CO -0.10 -0.87 1.70 -0.54 -1.32 0.00 0.00 176.35 175.23 1cey s LYS 7 N 3.81 4.16 0.21 1.98 1.02 -1.26 -4.73 119.74 124.93 1cey s LYS 7 Ca 0.64 2.51 0.10 0.00 0.02 0.00 0.00 55.97 59.24 1cey s LYS 7 Cb -0.27 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1cey s LYS 7 CO 0.22 -0.73 -0.11 -0.06 -0.92 0.00 0.00 175.35 173.75 1cey s PHE 8 N 1.68 2.56 -0.29 3.18 0.40 -0.58 -0.98 117.98 123.96 1cey s PHE 8 Ca 0.75 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.80 1cey s PHE 8 Cb -0.46 -1.21 0.10 0.00 0.51 0.00 0.00 43.02 41.95 1cey s PHE 8 CO 0.33 0.56 0.11 -1.17 0.70 0.00 0.00 175.22 175.74 1cey s LEU 9 N -3.06 1.30 -0.32 -0.37 2.96 -0.43 -1.83 118.68 116.93 1cey s LEU 9 Ca 0.26 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.61 1cey s LEU 9 Cb -0.08 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 1cey s LEU 9 CO 0.15 -0.42 0.56 0.68 -1.32 0.00 0.00 176.35 176.01 1cey s VAL 10 N 1.88 4.99 -0.76 1.68 -7.23 -1.08 -0.87 120.40 119.00 1cey s VAL 10 Ca 0.08 0.62 -0.17 0.00 -1.81 0.00 0.00 61.98 60.71 1cey s VAL 10 Cb -0.17 -3.96 0.15 0.00 0.56 0.00 0.00 36.38 32.97 1cey s VAL 10 CO -0.29 -0.14 0.83 -0.69 -0.31 0.00 0.00 175.10 174.50 1cey s VAL 11 N 2.47 5.10 -0.10 1.32 1.01 -1.00 -2.38 120.40 126.83 1cey s VAL 11 Ca 0.22 -1.70 -0.00 0.00 0.00 0.00 0.00 61.98 60.49 1cey s VAL 11 Cb -0.15 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.70 1cey s VAL 11 CO 0.12 -1.18 -0.07 -1.81 0.00 0.00 0.00 175.10 172.16 1cey s ASP 12 N 3.11 1.98 0.54 3.32 1.01 -1.21 -3.54 116.67 121.88 1cey s ASP 12 Ca 0.19 -0.26 0.31 0.00 0.71 0.00 0.00 52.55 53.49 1cey s ASP 12 Cb -0.14 -0.76 1.56 0.00 1.01 0.00 0.00 42.92 44.59 1cey s ASP 12 CO -0.04 -0.11 2.10 -0.78 0.21 0.00 0.00 175.17 176.55 1cey h ASP 13 N 8.00 0.00 -3.70 0.27 3.58 -1.77 -3.43 116.42 119.37 1cey h ASP 13 Ca -0.29 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.60 1cey h ASP 13 Cb 1.14 0.00 0.14 0.00 1.72 0.00 0.00 39.33 42.33 1cey h ASP 13 CO 0.40 0.09 0.43 0.49 -2.88 0.00 0.00 179.24 177.76 1cey n PHE 14 N -3.48 1.84 -0.45 0.28 3.72 -1.26 -4.87 117.46 113.23 1cey n PHE 14 Ca -0.02 0.46 0.02 0.00 -0.05 0.00 0.00 57.45 57.86 1cey n PHE 14 Cb 0.23 -2.31 0.28 0.00 -0.94 0.00 0.00 39.48 36.74 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1cey n SER 15 N -0.47 4.39 0.00 4.37 2.88 -1.26 -4.06 113.62 119.47 1cey n SER 15 Ca 0.10 -2.77 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 1cey n SER 15 Cb 0.43 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 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 0.28 0.00 -0.03 2.46 5.66 -1.26 -4.89 114.28 116.50 1cey n THR 16 Ca 0.24 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.22 1cey n THR 16 Cb 1.02 0.36 0.22 0.00 -1.55 0.00 0.00 70.33 70.39 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 0.59 -0.80 1.09 -1.53 -1.93 -2.71 114.93 109.64 1cey h MET 17 Ca 0.00 -0.17 0.18 0.00 -3.44 0.00 0.00 59.70 56.27 1cey h MET 17 Cb 0.12 -0.06 -0.12 0.00 -0.55 0.00 0.00 31.60 30.99 1cey h MET 17 CO 0.00 0.67 0.25 0.00 0.14 0.00 0.00 176.91 177.98 1cey h ARG 18 N 0.54 0.31 -0.78 0.39 2.47 -1.90 0.38 114.38 115.79 1cey h ARG 18 Ca 0.10 -0.02 0.18 0.00 -1.26 0.00 0.00 59.98 58.98 1cey h ARG 18 Cb 0.48 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.69 1cey h ARG 18 CO 0.03 0.20 0.53 -0.09 0.56 0.00 0.00 179.97 181.20 1cey h ARG 19 N 0.32 0.30 0.47 0.04 2.43 -1.86 0.23 114.38 116.31 1cey h ARG 19 Ca 0.47 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.60 1cey h ARG 19 Cb 0.83 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1cey h ARG 19 CO -0.52 0.20 -0.23 0.82 -1.51 0.00 0.00 179.97 178.73 1cey h ILE 20 N 0.31 0.53 0.01 1.20 1.08 -0.35 -2.85 117.51 117.45 1cey h ILE 20 Ca 0.39 -0.10 -0.20 0.00 -0.39 0.00 0.00 64.86 64.55 1cey h ILE 20 Cb 1.05 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1cey h ILE 20 CO -0.11 0.02 -0.91 -0.37 -0.69 0.00 0.00 178.15 176.09 1cey h VAL 21 N -0.69 1.51 0.00 1.67 -1.51 -1.37 -2.61 116.25 113.24 1cey h VAL 21 Ca -0.06 -2.69 0.03 0.00 -1.23 0.00 0.00 66.70 62.74 1cey h VAL 21 Cb 0.52 2.52 -0.05 0.00 -2.13 0.00 0.00 31.29 32.15 1cey h VAL 21 CO 0.11 0.78 -0.31 0.03 -1.23 0.00 0.00 177.57 176.95 1cey h ARG 22 N 0.10 -0.44 0.59 5.19 2.47 -0.55 0.47 114.38 122.21 1cey h ARG 22 Ca -0.05 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1cey h ARG 22 Cb 1.55 0.10 0.01 0.00 -1.65 0.00 0.00 29.97 29.98 1cey h ARG 22 CO 0.14 -0.29 -0.29 -0.97 0.56 0.00 0.00 179.97 179.12 1cey h ASN 23 N -0.46 -0.68 -0.99 7.04 -0.00 -1.58 -2.08 115.58 116.84 1cey h ASN 23 Ca 0.06 -0.03 0.10 0.00 -0.00 0.00 0.00 56.30 56.43 1cey h ASN 23 Cb 0.54 0.17 -0.13 0.00 -0.00 0.00 0.00 38.32 38.91 1cey h ASN 23 CO -0.26 -0.35 -0.54 -0.11 -0.00 0.00 0.00 177.43 176.18 1cey n LEU 24 N -5.36 -0.95 -0.02 0.34 0.00 -0.98 0.64 117.00 110.67 1cey n LEU 24 Ca -0.12 1.75 -0.09 0.00 0.00 0.00 0.00 56.01 57.55 1cey n LEU 24 Cb 0.35 -0.27 -0.03 0.00 0.00 0.00 0.00 43.42 43.47 1cey n LEU 24 CO 0.32 -1.46 0.81 -0.07 0.00 0.00 0.00 177.39 177.00 1cey h LEU 25 N 0.00 -0.24 -2.04 -1.96 3.38 -0.91 0.37 115.31 113.91 1cey h LEU 25 Ca 0.20 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.31 1cey h LEU 25 Cb 0.45 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1cey h LEU 25 CO -0.94 -0.10 0.20 0.50 0.09 0.00 0.00 178.44 178.19 1cey h LYS 26 N -0.06 0.00 -0.77 1.13 3.64 0.27 -0.09 116.57 120.69 1cey h LYS 26 Ca 0.08 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1cey h LYS 26 Cb 0.18 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1cey h LYS 26 CO -0.19 0.00 0.51 1.49 -2.27 0.00 0.00 179.45 178.99 1cey h GLU 27 N 0.00 0.81 0.00 1.90 4.57 0.25 -3.14 114.58 118.97 1cey h GLU 27 Ca 0.12 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1cey h GLU 27 Cb 0.51 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1cey h GLU 27 CO -0.00 0.54 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.24 1cey h LEU 28 N 0.83 0.00 0.00 1.64 3.38 -0.94 -3.48 115.31 116.74 1cey h LEU 28 Ca 0.33 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1cey h LEU 28 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1cey h LEU 28 CO -0.11 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.57 1cey n GLY 29 N 1.76 -1.45 3.01 0.83 0.00 -0.96 -5.15 105.19 103.22 1cey n GLY 29 Ca -0.01 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 0.44 -0.44 1.61 0.40 -1.21 -4.12 117.98 114.66 1cey s PHE 30 Ca 0.00 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 55.91 1cey s PHE 30 Cb 0.00 -0.28 0.25 0.00 0.51 0.00 0.00 43.02 43.50 1cey s PHE 30 CO 0.00 -0.13 0.72 -1.71 0.70 0.00 0.00 175.22 174.80 1cey n ASN 31 N 1.60 -1.31 -2.99 1.36 4.05 -1.24 -3.96 115.26 112.77 1cey n ASN 31 Ca -0.23 -3.03 0.04 0.00 0.45 0.00 0.00 54.58 51.82 1cey n ASN 31 Cb 0.55 0.59 0.00 0.00 1.23 0.00 0.00 39.78 42.16 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 -1.47 -0.21 -0.02 1.20 3.84 -1.26 -5.00 114.94 112.02 1cey s ASN 32 Ca 0.33 -0.02 -0.16 0.00 0.21 0.00 0.00 52.86 53.22 1cey s ASN 32 Cb 0.21 0.81 0.03 0.00 -0.55 0.00 0.00 41.25 41.74 1cey s ASN 32 CO -0.17 -0.03 0.33 0.54 -2.79 0.00 0.00 177.10 174.98 1cey s VAL 33 N 2.60 0.05 0.04 -5.21 0.11 -1.26 -1.52 120.40 115.21 1cey s VAL 33 Ca 0.25 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1cey s VAL 33 Cb 0.01 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1cey s VAL 33 CO -0.20 -0.24 0.00 -1.84 -3.33 0.00 0.00 175.10 169.49 1cey n GLU 34 N 1.29 1.77 -3.92 1.54 -0.00 -0.76 -4.96 120.64 115.60 1cey n GLU 34 Ca -0.21 -0.30 -0.10 0.00 -0.00 0.00 0.00 57.16 56.55 1cey n GLU 34 Cb 0.56 0.09 -0.10 0.00 -0.00 0.00 0.00 31.44 32.00 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1cey s GLU 35 N -2.15 0.55 0.00 3.44 8.01 -1.26 -2.64 118.70 124.65 1cey s GLU 35 Ca 0.00 -0.68 0.00 0.00 0.01 0.00 0.00 54.97 54.30 1cey s GLU 35 Cb 0.00 0.22 0.00 0.00 -4.31 0.00 0.00 34.13 30.04 1cey s GLU 35 CO 0.00 -0.13 0.00 0.00 0.01 0.00 0.00 175.26 175.14 1cey n ALA 36 N 0.95 0.00 -0.19 5.21 0.00 -1.00 -4.96 120.51 120.51 1cey n ALA 36 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1cey n ALA 36 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N 0.00 0.56 -3.36 0.00 1.02 -1.26 -3.36 120.64 114.24 1cey n GLU 37 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1cey n GLU 37 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1cey n ASP 38 N -0.16 0.00 -0.18 1.62 5.68 -1.26 -4.41 116.55 117.83 1cey n ASP 38 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1cey n ASP 38 Cb 0.05 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.18 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 1.03 0.97 6.12 0.00 -1.81 0.18 103.07 109.55 1cey h GLY 39 Ca 0.00 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.68 1cey h GLY 39 CO 0.00 0.54 -0.00 -2.08 0.00 0.00 0.00 176.54 175.00 1cey h VAL 40 N 0.92 1.26 -0.37 4.60 2.07 -1.89 0.15 116.25 122.98 1cey h VAL 40 Ca 0.21 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 1cey h VAL 40 Cb 0.26 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1cey h VAL 40 CO -0.01 0.36 -0.10 -0.78 0.02 0.00 0.00 177.57 177.06 1cey h ASP 41 N 0.61 0.74 0.75 0.57 1.82 -1.82 -2.38 116.42 116.70 1cey h ASP 41 Ca 0.12 -0.37 -0.04 0.00 -0.39 0.00 0.00 57.03 56.36 1cey h ASP 41 Cb 0.49 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.31 1cey h ASP 41 CO 0.02 0.94 -0.36 0.00 -1.61 0.00 0.00 179.24 178.23 1cey h ALA 42 N 0.83 -1.01 -1.24 -0.78 0.00 -0.48 0.64 119.26 117.21 1cey h ALA 42 Ca 0.09 -0.23 0.36 0.00 0.00 0.00 0.00 54.91 55.13 1cey h ALA 42 Cb 0.62 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1cey h ALA 42 CO 0.04 -1.02 0.85 1.25 0.00 0.00 0.00 179.25 180.37 1cey h LEU 43 N -1.11 0.20 0.03 0.00 6.46 -0.72 1.56 115.31 121.73 1cey h LEU 43 Ca -0.10 0.06 -0.26 0.00 -0.12 0.00 0.00 57.88 57.45 1cey h LEU 43 Cb 0.79 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1cey h LEU 43 CO 0.17 -0.01 -1.41 0.78 -0.62 0.00 0.00 178.44 177.35 1cey h ASN 44 N 0.15 0.08 0.30 1.25 2.35 -0.85 -3.29 115.58 115.57 1cey h ASN 44 Ca 0.66 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1cey h ASN 44 Cb 2.22 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.57 1cey h ASN 44 CO -0.19 1.10 -0.31 0.29 -1.65 0.00 0.00 177.43 176.68 1cey n LYS 45 N -3.25 0.64 0.04 0.81 4.01 0.24 -3.75 118.16 116.90 1cey n LYS 45 Ca -0.11 -0.37 -0.01 0.00 -0.51 0.00 0.00 58.31 57.31 1cey n LYS 45 Cb 1.01 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.96 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1cey h LEU 46 N 0.90 0.00 -0.10 -0.35 5.85 0.18 -3.25 115.31 118.54 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cey h LEU 46 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1cey h LEU 46 CO 0.00 0.65 0.06 0.00 -0.34 0.00 0.00 178.44 178.81 1cey n GLN 47 N -2.98 0.01 -0.02 1.25 6.02 -1.24 -3.03 117.38 117.39 1cey n GLN 47 Ca -0.09 0.46 -0.02 0.00 -0.01 0.00 0.00 57.00 57.34 1cey n GLN 47 Cb 0.86 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 30.52 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey h ALA 48 N 1.77 -0.36 -3.00 -1.58 0.00 -1.79 -3.46 119.26 110.84 1cey h ALA 48 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cey h ALA 48 Cb 0.12 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1cey h ALA 48 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.27 1cey n GLY 49 N -1.05 1.36 2.61 0.00 0.00 -1.17 -5.07 105.19 101.88 1cey n GLY 49 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 0.37 0.85 3.51 -0.02 0.00 -1.26 -5.07 105.19 103.57 1cey n GLY 50 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N 1.26 0.57 0.01 1.61 4.01 -1.26 -4.62 117.16 118.73 1cey n TYR 51 Ca 0.11 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 1cey n TYR 51 Cb 0.63 -1.88 0.02 0.00 -0.31 0.00 0.00 39.34 37.80 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cey n GLY 52 N 6.16 -0.29 3.53 2.72 0.00 -1.13 -4.41 105.19 111.77 1cey n GLY 52 Ca 0.61 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.68 -0.23 1.61 2.19 -0.15 -3.65 117.98 114.48 1cey s PHE 53 Ca -0.00 1.61 -0.01 0.00 0.33 0.00 0.00 56.93 58.85 1cey s PHE 53 Cb 0.00 0.25 0.07 0.00 -1.31 0.00 0.00 43.02 42.03 1cey s PHE 53 CO 0.01 -0.36 0.03 0.08 1.83 0.00 0.00 175.22 176.81 1cey s VAL 54 N 0.16 0.84 -1.19 3.12 1.01 -0.93 -1.31 120.40 122.10 1cey s VAL 54 Ca -0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 1cey s VAL 54 Cb -0.04 -1.37 0.17 0.00 0.00 0.00 0.00 36.38 35.14 1cey s VAL 54 CO 0.02 -0.31 1.41 -0.63 0.00 0.00 0.00 175.10 175.59 1cey s ILE 55 N 1.69 5.04 0.61 2.22 1.01 -0.05 -1.80 121.20 129.92 1cey s ILE 55 Ca 0.01 -2.60 -0.06 0.00 0.00 0.00 0.00 60.65 57.99 1cey s ILE 55 Cb -0.18 -4.90 0.02 0.00 0.01 0.00 0.00 42.46 37.41 1cey s ILE 55 CO -0.12 -1.61 0.92 -0.94 0.00 0.00 0.00 174.94 173.20 1cey s SER 56 N 2.84 5.46 0.00 3.58 1.04 -1.15 -2.36 113.70 123.11 1cey s SER 56 Ca 0.42 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.53 1cey s SER 56 Cb -0.03 -1.61 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1cey s SER 56 CO -0.01 -1.16 0.00 0.47 0.98 0.00 0.00 173.24 173.52 1cey n ASP 57 N -2.65 0.00 -3.03 7.02 9.92 -1.23 -1.61 116.55 124.97 1cey n ASP 57 Ca 0.05 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.35 1cey n ASP 57 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1cey s TRP 58 N 4.25 -0.70 0.00 1.24 -0.11 -1.23 -4.38 118.94 118.01 1cey s TRP 58 Ca 0.00 0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.61 1cey s TRP 58 Cb 0.00 0.12 0.00 0.00 -1.50 0.00 0.00 33.47 32.09 1cey s TRP 58 CO 0.00 -0.43 0.00 0.09 -4.62 0.00 0.00 176.95 171.99 1cey n ASN 59 N 4.62 0.00 -2.71 5.86 4.13 -1.26 -4.89 115.26 121.01 1cey n ASN 59 Ca 0.08 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.24 1cey n ASN 59 Cb 0.59 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.87 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1cey n MET 60 N 0.00 1.13 0.29 3.52 2.81 -1.26 -3.56 117.12 120.06 1cey n MET 60 Ca 0.00 -3.07 0.15 0.00 -1.81 0.00 0.00 57.70 52.97 1cey n MET 60 Cb 0.00 -1.13 0.90 0.00 -0.71 0.00 0.00 33.22 32.28 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1cey h PRO 61 N 2.88 0.00 0.00 0.03 0.13 -1.98 -3.40 132.00 129.65 1cey h PRO 61 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1cey h PRO 61 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cey h PRO 61 CO 0.43 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.47 1cey n ASN 62 N -3.90 0.00 -3.61 1.44 0.23 -1.26 -5.12 115.26 103.03 1cey n ASN 62 Ca -0.03 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.87 1cey n ASN 62 Cb 0.08 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.71 1cey n ASN 62 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1cey s MET 63 N -0.28 0.86 0.59 -3.83 -1.94 -1.26 -5.11 119.30 108.32 1cey s MET 63 Ca 0.00 0.66 -0.04 0.00 -1.71 0.00 0.00 55.69 54.60 1cey s MET 63 Cb 0.00 0.41 0.02 0.00 2.01 0.00 0.00 34.83 37.27 1cey s MET 63 CO 0.00 -0.17 0.87 0.16 -0.01 0.00 0.00 175.02 175.87 1cey s ASP 64 N -0.22 5.45 0.00 3.03 -4.77 -1.23 -4.39 116.67 114.53 1cey s ASP 64 Ca -0.04 0.52 0.23 0.00 -3.30 0.00 0.00 52.55 49.97 1cey s ASP 64 Cb -0.03 -1.48 1.19 0.00 -1.09 0.00 0.00 42.92 41.51 1cey s ASP 64 CO 0.04 -1.12 1.77 0.61 0.70 0.00 0.00 175.17 177.17 1cey n GLY 65 N -2.55 -1.04 0.32 2.12 0.00 -1.26 -3.82 105.19 98.95 1cey n GLY 65 Ca 0.05 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.76 -0.66 0.99 5.85 -1.92 0.56 115.31 119.36 1cey h LEU 66 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1cey h LEU 66 Cb 0.21 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1cey h LEU 66 CO 0.00 -0.46 0.49 -0.08 -0.34 0.00 0.00 178.44 178.05 1cey h GLU 67 N -0.73 0.00 0.14 1.25 4.81 -1.98 0.14 114.58 118.20 1cey h GLU 67 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1cey h GLU 67 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1cey h GLU 67 CO 0.06 0.00 -0.07 1.25 -0.73 0.00 0.00 179.01 179.52 1cey h LEU 68 N 0.00 -0.16 -0.65 1.64 5.85 -1.10 -2.40 115.31 118.49 1cey h LEU 68 Ca 0.00 -0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1cey h LEU 68 Cb 0.98 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1cey h LEU 68 CO 0.00 0.40 -0.59 0.17 -0.34 0.00 0.00 178.44 178.09 1cey h LEU 69 N -1.00 0.30 0.23 2.25 8.10 -0.37 -2.62 115.31 122.20 1cey h LEU 69 Ca -0.02 -0.17 -0.01 0.00 0.11 0.00 0.00 57.88 57.79 1cey h LEU 69 Cb 0.37 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 1cey h LEU 69 CO 0.03 0.82 -0.11 0.50 -4.11 0.00 0.00 178.44 175.58 1cey h LYS 70 N 0.20 -0.29 -1.15 0.17 3.64 -0.99 0.18 116.57 118.32 1cey h LYS 70 Ca -0.00 0.02 0.33 0.00 -1.27 0.00 0.00 60.65 59.73 1cey h LYS 70 Cb 1.09 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1cey h LYS 70 CO 0.09 -0.20 0.83 1.15 -2.27 0.00 0.00 179.45 179.06 1cey h THR 71 N -0.34 0.42 -0.21 1.00 2.02 -1.52 0.89 112.91 115.17 1cey h THR 71 Ca -0.03 -0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.95 1cey h THR 71 Cb 0.23 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1cey h THR 71 CO 0.05 0.00 -0.65 0.40 0.37 0.00 0.00 175.52 175.69 1cey h ILE 72 N 0.00 1.28 0.00 3.11 2.04 -1.10 -3.10 117.51 119.74 1cey h ILE 72 Ca 0.55 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1cey h ILE 72 Cb 2.20 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 40.11 1cey h ILE 72 CO -0.01 0.59 -0.36 0.03 0.00 0.00 0.00 178.15 178.40 1cey h ARG 73 N 0.58 0.00 -0.79 2.37 2.47 0.33 -3.30 114.38 116.04 1cey h ARG 73 Ca -0.02 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.93 1cey h ARG 73 Cb 1.28 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.56 1cey h ARG 73 CO 0.14 0.00 0.63 0.00 0.56 0.00 0.00 179.97 181.30 1cey h ALA 74 N 2.28 2.67 -3.00 0.04 0.00 0.54 -3.38 119.26 118.41 1cey h ALA 74 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cey h ALA 74 Cb 0.86 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1cey h ALA 74 CO 0.00 -1.04 0.00 -3.47 0.00 0.00 0.00 179.25 174.74 1cey n ASP 75 N -4.05 0.00 0.00 0.00 -0.08 -1.24 -5.09 116.55 106.09 1cey n ASP 75 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1cey n ASP 75 Cb 0.92 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.38 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cey n GLY 76 N 0.98 4.12 0.63 0.27 0.00 -1.26 -4.92 105.19 105.01 1cey n GLY 76 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.00 2.00 -2.89 4.61 0.00 -1.26 -3.35 120.51 116.62 1cey n ALA 77 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1cey n ALA 77 Cb 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.49 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 0.31 1.04 0.00 0.00 2.81 -1.26 -5.08 117.12 114.93 1cey n MET 78 Ca 0.00 -2.62 0.00 0.00 -1.81 0.00 0.00 57.70 53.27 1cey n MET 78 Cb 0.20 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1cey n SER 79 N 0.17 0.00 -2.91 7.83 3.41 -1.21 -4.88 113.62 116.03 1cey n SER 79 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 1cey n SER 79 Cb 0.72 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.71 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cey n ALA 80 N -3.00 0.83 -1.51 7.33 0.00 -1.24 -4.91 120.51 118.01 1cey n ALA 80 Ca 0.00 -2.36 0.07 0.00 0.00 0.00 0.00 53.44 51.15 1cey n ALA 80 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.37 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 0.22 -1.34 -4.53 0.00 4.77 -1.26 -4.81 117.00 110.04 1cey n LEU 81 Ca 0.13 2.56 -0.42 0.00 -0.03 0.00 0.00 56.01 58.25 1cey n LEU 81 Cb 0.71 -3.09 0.01 0.00 -2.33 0.00 0.00 43.42 38.71 1cey n LEU 81 CO 0.12 -1.34 0.32 -2.65 -1.33 0.00 0.00 177.39 172.51 1cey n PRO 82 N -3.36 0.92 -4.03 3.23 -0.01 -1.24 -4.85 135.00 125.66 1cey n PRO 82 Ca -0.04 0.33 -0.26 0.00 -0.01 0.00 0.00 63.50 63.52 1cey n PRO 82 Cb 0.55 -1.75 -0.17 0.00 -0.01 0.00 0.00 33.50 32.12 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1cey s VAL 83 N -1.35 1.00 -0.43 -1.45 1.01 -1.26 -2.20 120.40 115.72 1cey s VAL 83 Ca 0.64 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 1cey s VAL 83 Cb -0.59 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 34.83 1cey s VAL 83 CO 0.57 0.36 0.31 -0.22 0.00 0.00 0.00 175.10 176.12 1cey s LEU 84 N 1.50 5.23 -0.78 3.92 1.98 -0.74 -1.95 118.68 127.83 1cey s LEU 84 Ca 0.01 -1.14 -0.26 0.00 -2.89 0.00 0.00 54.13 49.85 1cey s LEU 84 Cb -0.13 -2.12 0.03 0.00 0.66 0.00 0.00 46.19 44.63 1cey s LEU 84 CO -0.06 -0.52 1.32 -0.32 -1.89 0.00 0.00 176.35 174.89 1cey s MET 85 N 1.61 3.24 0.23 1.98 -2.45 -0.85 -2.92 119.30 120.15 1cey s MET 85 Ca 0.04 -0.37 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 1cey s MET 85 Cb -0.21 -4.38 -0.03 0.00 1.25 0.00 0.00 34.83 31.45 1cey s MET 85 CO 0.07 -2.18 0.37 0.14 1.05 0.00 0.00 175.02 174.48 1cey s VAL 86 N 5.69 5.25 0.10 10.11 -7.23 -0.63 -2.67 120.40 131.02 1cey s VAL 86 Ca 0.38 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 1cey s VAL 86 Cb -0.07 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 33.07 1cey s VAL 86 CO 0.11 -0.30 0.29 0.28 -0.31 0.00 0.00 175.10 175.17 1cey s THR 87 N -1.96 0.11 -2.07 5.32 -1.32 -0.98 -3.55 115.64 111.18 1cey s THR 87 Ca 0.35 -0.87 0.23 0.00 -1.21 0.00 0.00 61.69 60.20 1cey s THR 87 Cb -0.10 -1.21 0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1cey s THR 87 CO 0.30 -0.48 1.17 0.00 -2.21 0.00 0.00 174.62 173.40 1cey n ALA 88 N -0.03 3.43 -2.84 11.08 0.00 -1.26 0.13 120.51 131.01 1cey n ALA 88 Ca -0.16 -0.62 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 1cey n ALA 88 Cb 0.62 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 19.27 1cey n ALA 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cey n GLU 89 N -0.01 1.08 -1.54 0.00 2.13 -1.26 -4.89 120.64 116.15 1cey n GLU 89 Ca 0.10 -2.89 -0.20 0.00 0.66 0.00 0.00 57.16 54.82 1cey n GLU 89 Cb 0.46 -1.17 -0.12 0.00 0.27 0.00 0.00 31.44 30.88 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cey n ALA 90 N 0.02 0.63 -0.22 4.31 0.00 -1.26 -4.74 120.51 119.23 1cey n ALA 90 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1cey n ALA 90 Cb 0.76 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 7.79 0.00 0.00 0.00 4.81 -1.26 -4.98 118.16 124.52 1cey n LYS 91 Ca 0.54 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1cey n LYS 91 Cb 0.33 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cey n LYS 92 N -1.66 0.00 -0.33 1.64 5.02 -1.26 -4.92 118.16 116.64 1cey n LYS 92 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1cey n LYS 92 Cb 0.00 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.33 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cey h GLU 93 N 0.00 0.79 0.00 1.97 5.08 -1.99 0.18 114.58 120.61 1cey h GLU 93 Ca 0.00 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1cey h GLU 93 Cb 0.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1cey h GLU 93 CO 0.00 0.52 -0.44 -0.91 -1.00 0.00 0.00 179.01 177.18 1cey h ASN 94 N 0.82 0.00 0.45 1.42 4.21 -1.97 -1.06 115.58 119.44 1cey h ASN 94 Ca 0.51 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.99 1cey h ASN 94 Cb 0.71 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1cey h ASN 94 CO -0.28 0.44 -0.22 0.40 -1.29 0.00 0.00 177.43 176.49 1cey h ILE 95 N 0.00 0.36 0.00 2.81 2.04 -1.03 -2.79 117.51 118.90 1cey h ILE 95 Ca -0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1cey h ILE 95 Cb 0.79 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1cey h ILE 95 CO 0.06 0.07 0.00 0.40 0.00 0.00 0.00 178.15 178.67 1cey h ILE 96 N -1.00 0.00 0.90 -0.67 2.04 -1.41 -2.98 117.51 114.39 1cey h ILE 96 Ca -0.06 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1cey h ILE 96 Cb 0.57 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1cey h ILE 96 CO 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.79 1cey h ALA 97 N 2.02 -1.32 0.01 1.87 0.00 -0.91 1.47 119.26 122.39 1cey h ALA 97 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1cey h ALA 97 Cb 0.18 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1cey h ALA 97 CO 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 179.25 177.74 1cey h ALA 98 N -1.35 -0.36 0.00 0.00 0.00 -1.48 0.15 119.26 116.22 1cey h ALA 98 Ca -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cey h ALA 98 Cb 0.97 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1cey h ALA 98 CO 0.18 -0.77 -0.00 0.00 0.00 0.00 0.00 179.25 178.66 1cey h ALA 99 N 0.41 1.51 -0.72 0.00 0.00 -1.48 0.18 119.26 119.15 1cey h ALA 99 Ca 0.06 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 99 Cb 0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1cey h ALA 99 CO -0.23 0.00 0.51 0.37 0.00 0.00 0.00 179.25 179.91 1cey h GLN 100 N 0.00 0.10 0.00 0.00 5.75 0.50 2.78 115.11 124.24 1cey h GLN 100 Ca -0.00 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 1cey h GLN 100 Cb 0.01 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1cey h GLN 100 CO 0.00 0.07 -1.08 0.00 -2.65 0.00 0.00 178.83 175.17 1cey h ALA 101 N 1.65 0.58 -4.55 3.38 0.00 -0.63 -3.49 119.26 116.20 1cey h ALA 101 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cey h ALA 101 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1cey h ALA 101 CO -0.04 0.33 -0.23 0.41 0.00 0.00 0.00 179.25 179.72 1cey n GLY 102 N 1.25 -1.06 0.00 0.00 0.00 0.93 -4.97 105.19 101.34 1cey n GLY 102 Ca -0.03 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.72 0.00 -0.11 4.61 0.00 -1.26 -4.96 120.51 118.07 1cey n ALA 103 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 1cey n ALA 103 Cb 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 1.87 0.00 0.00 3.41 -0.82 -4.86 113.62 113.22 1cey n SER 104 Ca 0.00 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1cey n SER 104 Cb 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cey n GLY 105 N 1.42 -1.06 2.98 5.00 0.00 -1.24 -5.02 105.19 107.27 1cey n GLY 105 Ca -0.34 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.00 0.29 -0.04 1.61 5.04 -1.26 -2.00 117.35 117.99 1cey s TYR 106 Ca 0.00 -0.45 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 1cey s TYR 106 Cb 0.00 -0.20 0.03 0.00 0.35 0.00 0.00 41.96 42.15 1cey s TYR 106 CO 0.00 -0.15 0.08 0.54 -1.34 0.00 0.00 175.55 174.68 1cey s VAL 107 N -1.24 -0.09 -0.45 3.14 0.11 -1.09 -4.97 120.40 115.80 1cey s VAL 107 Ca -0.13 0.27 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 1cey s VAL 107 Cb -0.09 -0.16 0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1cey s VAL 107 CO -0.01 0.11 1.43 0.54 -3.33 0.00 0.00 175.10 173.85 1cey s VAL 108 N 1.47 3.85 0.62 2.04 0.11 -1.26 -2.33 120.40 124.90 1cey s VAL 108 Ca -0.05 0.84 -0.08 0.00 -2.93 0.00 0.00 61.98 59.76 1cey s VAL 108 Cb -0.12 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.50 1cey s VAL 108 CO -0.04 -0.84 0.97 -1.59 -3.33 0.00 0.00 175.10 170.27 1cey s LYS 109 N 5.13 3.02 -0.00 1.54 -2.85 0.34 -4.08 119.74 122.84 1cey s LYS 109 Ca 0.60 0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 55.52 1cey s LYS 109 Cb -0.13 -2.17 -0.05 0.00 -2.06 0.00 0.00 37.83 33.42 1cey s LYS 109 CO 0.31 -0.76 1.33 -1.25 0.10 0.00 0.00 175.35 175.08 1cey s PRO 110 N -5.12 4.32 0.21 1.78 0.05 -1.26 -4.15 135.00 130.83 1cey s PRO 110 Ca 0.55 1.87 -0.01 0.00 0.05 0.00 0.00 61.00 63.46 1cey s PRO 110 Cb -0.11 -3.53 -0.04 0.00 0.05 0.00 0.00 34.50 30.87 1cey s PRO 110 CO 0.48 -0.51 0.41 -0.59 0.05 0.00 0.00 177.00 176.84 1cey s PHE 111 N 2.17 3.48 0.28 0.56 -0.12 -1.26 -5.09 117.98 118.01 1cey s PHE 111 Ca 0.61 0.36 -0.09 0.00 -0.05 0.00 0.00 56.93 57.76 1cey s PHE 111 Cb -0.30 -1.87 -0.07 0.00 -0.63 0.00 0.00 43.02 40.16 1cey s PHE 111 CO 0.26 0.36 0.61 0.99 -0.05 0.00 0.00 175.22 177.38 1cey s THR 112 N -1.90 4.90 0.51 -4.49 2.01 -1.26 -4.83 115.64 110.58 1cey s THR 112 Ca 0.39 0.45 0.34 0.00 0.31 0.00 0.00 61.69 63.17 1cey s THR 112 Cb -0.11 -3.66 0.53 0.00 0.01 0.00 0.00 72.50 69.27 1cey s THR 112 CO 0.29 -0.22 1.78 0.00 -0.69 0.00 0.00 174.62 175.79 1cey h ALA 113 N 2.10 2.97 -0.40 7.40 0.00 -1.98 1.20 119.26 130.55 1cey h ALA 113 Ca -0.47 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1cey h ALA 113 Cb 1.18 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1cey h ALA 113 CO 0.67 -1.35 -0.07 0.00 0.00 0.00 0.00 179.25 178.51 1cey h ALA 114 N 1.44 1.14 0.16 0.00 0.00 -1.97 0.50 119.26 120.54 1cey h ALA 114 Ca 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1cey h ALA 114 Cb 2.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1cey h ALA 114 CO -0.08 0.55 -0.08 1.79 0.00 0.00 0.00 179.25 181.42 1cey h THR 115 N 0.62 0.00 -0.97 0.00 1.35 0.11 0.54 112.91 114.57 1cey h THR 115 Ca 0.12 -0.17 0.23 0.00 -0.55 0.00 0.00 66.41 66.03 1cey h THR 115 Cb 0.49 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.83 1cey h THR 115 CO 0.03 0.00 0.63 0.25 -0.25 0.00 0.00 175.52 176.18 1cey h LEU 116 N -0.39 0.45 0.10 3.87 5.85 -1.46 -0.07 115.31 123.66 1cey h LEU 116 Ca -0.02 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1cey h LEU 116 Cb 0.17 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1cey h LEU 116 CO 0.04 0.15 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.16 1cey h GLU 117 N 0.43 -0.13 -1.56 1.25 4.22 0.06 -0.24 114.58 118.60 1cey h GLU 117 Ca 0.52 0.01 0.45 0.00 0.08 0.00 0.00 59.36 60.43 1cey h GLU 117 Cb 1.29 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 1cey h GLU 117 CO -0.23 -0.09 1.20 1.49 -2.18 0.00 0.00 179.01 179.21 1cey h GLU 118 N -0.24 0.00 0.11 1.92 4.81 0.37 1.19 114.58 122.74 1cey h GLU 118 Ca -0.01 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 1cey h GLU 118 Cb 0.10 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.50 1cey h GLU 118 CO 0.02 0.00 -0.85 -0.22 -0.73 0.00 0.00 179.01 177.23 1cey h LYS 119 N 0.00 0.38 0.29 1.92 3.64 -0.95 -3.24 116.57 118.60 1cey h LYS 119 Ca 0.74 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1cey h LYS 119 Cb 3.14 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 35.15 1cey h LYS 119 CO -0.01 1.24 -0.20 1.25 -2.27 0.00 0.00 179.45 179.46 1cey h LEU 120 N -0.20 -0.51 -0.99 5.20 5.85 0.33 -2.03 115.31 122.96 1cey h LEU 120 Ca -0.14 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.79 1cey h LEU 120 Cb 1.62 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 42.64 1cey h LEU 120 CO 0.16 -0.29 -0.33 -1.13 -0.34 0.00 0.00 178.44 176.51 1cey h ASN 121 N -0.46 -1.22 0.02 1.25 -0.73 -1.55 1.30 115.58 114.19 1cey h ASN 121 Ca -0.04 0.30 -0.00 0.00 1.87 0.00 0.00 56.30 58.43 1cey h ASN 121 Cb 0.38 0.69 -0.00 0.00 0.27 0.00 0.00 38.32 39.66 1cey h ASN 121 CO 0.03 -0.31 -0.02 0.11 -0.37 0.00 0.00 177.43 176.87 1cey h LYS 122 N -0.00 0.00 0.11 6.67 1.79 -1.56 0.20 116.57 123.78 1cey h LYS 122 Ca 0.40 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.52 1cey h LYS 122 Cb 0.65 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1cey h LYS 122 CO -1.00 0.02 -1.94 0.82 -1.08 0.00 0.00 179.45 176.27 1cey h ILE 123 N 0.00 0.67 0.03 1.86 2.04 0.21 -3.37 117.51 118.95 1cey h ILE 123 Ca -0.00 -2.41 -0.20 0.00 1.00 0.00 0.00 64.86 63.25 1cey h ILE 123 Cb 0.03 2.51 0.02 0.00 -0.74 0.00 0.00 36.82 38.64 1cey h ILE 123 CO 0.00 0.84 -0.81 -0.26 0.00 0.00 0.00 178.15 177.92 1cey h PHE 124 N 0.06 0.76 -0.30 1.37 -1.00 0.55 -2.37 116.94 116.02 1cey h PHE 124 Ca -0.40 -0.44 0.09 0.00 2.81 0.00 0.00 57.97 60.03 1cey h PHE 124 Cb 2.04 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 41.51 1cey h PHE 124 CO 0.07 1.27 0.55 0.93 -1.61 0.00 0.00 178.31 179.52 1cey h GLU 125 N 0.04 0.00 0.00 1.51 4.39 0.04 2.04 114.58 122.60 1cey h GLU 125 Ca -0.11 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.43 1cey h GLU 125 Cb 1.52 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.14 1cey h GLU 125 CO 0.16 0.00 -1.59 1.63 -1.16 0.00 0.00 179.01 178.05 1cey n LYS 126 N -3.25 0.63 0.18 2.33 5.02 -1.14 -3.86 118.16 118.07 1cey n LYS 126 Ca 0.05 0.13 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1cey n LYS 126 Cb 0.68 -1.73 0.28 0.00 -0.02 0.00 0.00 35.03 34.23 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 0.00 0.00 -0.35 5.85 0.37 -3.47 115.31 117.71 1cey h LEU 127 Ca -0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1cey h LEU 127 Cb 1.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1cey h LEU 127 CO 0.03 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 1cey n GLY 128 N 0.40 4.01 0.48 3.75 0.00 0.39 -5.08 105.19 109.14 1cey n GLY 128 Ca 0.00 -0.62 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35