#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 -5.14 -1.94 0.00 9.92 -1.26 -4.63 116.55 113.50 1cey n ASP 3 Ca 0.00 1.12 -0.07 0.00 -0.53 0.00 0.00 54.79 55.30 1cey n ASP 3 Cb 0.00 -3.79 -0.10 0.00 -0.64 0.00 0.00 41.12 36.59 1cey n ASP 3 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1cey n LYS 4 N 1.56 1.45 -0.84 -1.24 2.85 -1.26 -2.81 118.16 117.86 1cey n LYS 4 Ca -0.14 -0.61 -0.05 0.00 -1.05 0.00 0.00 58.31 56.46 1cey n LYS 4 Cb 0.31 -1.69 -0.05 0.00 -0.65 0.00 0.00 35.03 32.96 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1cey n GLU 5 N 2.30 0.00 -2.25 -1.58 4.07 -1.26 -3.84 120.64 118.08 1cey n GLU 5 Ca 0.26 -0.70 -0.39 0.00 -0.06 0.00 0.00 57.16 56.28 1cey n GLU 5 Cb 0.68 0.36 -0.02 0.00 -0.06 0.00 0.00 31.44 32.39 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1cey s LEU 6 N 0.00 4.24 -0.07 4.31 2.96 -1.12 -4.80 118.68 124.19 1cey s LEU 6 Ca 0.00 2.42 -0.27 0.00 -0.22 0.00 0.00 54.13 56.06 1cey s LEU 6 Cb 0.00 -3.94 -0.02 0.00 0.50 0.00 0.00 46.19 42.72 1cey s LEU 6 CO 0.00 -0.66 0.89 -0.54 -1.32 0.00 0.00 176.35 174.73 1cey s LYS 7 N -2.19 4.45 0.13 1.98 1.02 -1.26 -4.58 119.74 119.29 1cey s LYS 7 Ca 0.55 1.21 0.09 0.00 0.02 0.00 0.00 55.97 57.85 1cey s LYS 7 Cb -0.33 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 1cey s LYS 7 CO 0.42 -0.14 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.47 1cey s PHE 8 N 1.40 2.53 -0.26 3.18 0.40 -0.86 -1.40 117.98 122.97 1cey s PHE 8 Ca 0.45 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1cey s PHE 8 Cb -0.19 -1.33 0.07 0.00 0.51 0.00 0.00 43.02 42.09 1cey s PHE 8 CO 0.20 0.41 -0.02 -1.17 0.70 0.00 0.00 175.22 175.34 1cey s LEU 9 N -2.24 2.97 -0.50 -0.37 2.96 -0.87 -1.89 118.68 118.73 1cey s LEU 9 Ca 0.19 -1.43 -0.20 0.00 -0.22 0.00 0.00 54.13 52.48 1cey s LEU 9 Cb -0.10 -1.24 0.05 0.00 0.50 0.00 0.00 46.19 45.40 1cey s LEU 9 CO 0.11 -0.28 0.65 0.68 -1.32 0.00 0.00 176.35 176.19 1cey s VAL 10 N 1.32 4.83 -0.43 1.68 -7.23 -1.07 -0.74 120.40 118.76 1cey s VAL 10 Ca -0.01 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.83 1cey s VAL 10 Cb -0.19 -4.31 0.38 0.00 0.56 0.00 0.00 36.38 32.82 1cey s VAL 10 CO -0.09 -0.82 1.29 0.52 -0.31 0.00 0.00 175.10 175.69 1cey n VAL 11 N 5.68 1.74 -1.68 1.32 0.31 -1.04 -2.34 118.33 122.32 1cey n VAL 11 Ca -0.05 -0.83 -0.45 0.00 -0.01 0.00 0.00 64.34 62.99 1cey n VAL 11 Cb 0.46 -0.56 -0.04 0.00 -0.91 0.00 0.00 33.84 32.79 1cey n VAL 11 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1cey n ASP 12 N 0.00 3.47 -0.48 4.52 8.00 -1.26 -4.33 116.55 126.46 1cey n ASP 12 Ca 0.22 1.03 0.13 0.00 0.71 0.00 0.00 54.79 56.88 1cey n ASP 12 Cb 0.90 -1.45 0.30 0.00 -0.02 0.00 0.00 41.12 40.86 1cey n ASP 12 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1cey n ASP 13 N 4.73 1.69 -3.85 -2.24 5.75 -1.26 -4.68 116.55 116.68 1cey n ASP 13 Ca 0.18 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1cey n ASP 13 Cb 0.31 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.06 -0.82 -0.45 2.11 7.35 -1.26 -4.97 117.46 119.47 1cey n PHE 14 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 1cey n PHE 14 Cb 0.42 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.25 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1cey n SER 15 N 0.00 1.01 0.00 -2.13 7.64 -1.26 -4.83 113.62 114.05 1cey n SER 15 Ca 0.00 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1cey n SER 15 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.23 0.00 -0.20 0.44 5.66 -1.26 -4.93 114.28 113.75 1cey n THR 16 Ca 0.00 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1cey n THR 16 Cb 0.33 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.16 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 -0.02 -0.58 1.09 -1.53 -1.96 -0.79 114.93 111.14 1cey h MET 17 Ca 0.00 0.00 0.10 0.00 -3.44 0.00 0.00 59.70 56.36 1cey h MET 17 Cb 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 31.60 30.94 1cey h MET 17 CO 0.00 -0.01 -0.39 0.07 0.14 0.00 0.00 176.91 176.72 1cey h ARG 18 N -0.02 -0.19 -0.84 0.39 -0.00 -1.92 0.18 114.38 111.98 1cey h ARG 18 Ca 0.29 0.01 0.09 0.00 -0.00 0.00 0.00 59.98 60.37 1cey h ARG 18 Cb 0.46 0.04 -0.06 0.00 -0.00 0.00 0.00 29.97 30.41 1cey h ARG 18 CO -0.63 -0.13 0.55 -0.09 -0.00 0.00 0.00 179.97 179.67 1cey h ARG 19 N -0.20 0.80 -0.07 0.08 2.43 -1.53 0.24 114.38 116.13 1cey h ARG 19 Ca 0.20 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1cey h ARG 19 Cb 0.56 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1cey h ARG 19 CO -0.68 0.53 0.02 0.82 -1.51 0.00 0.00 179.97 179.14 1cey h ILE 20 N 0.82 1.20 -0.06 1.20 5.03 -0.24 -3.10 117.51 122.36 1cey h ILE 20 Ca 0.39 -0.61 -0.16 0.00 -0.12 0.00 0.00 64.86 64.36 1cey h ILE 20 Cb 0.40 1.47 -0.01 0.00 -3.03 0.00 0.00 36.82 35.66 1cey h ILE 20 CO -0.16 0.17 -0.67 -0.37 -0.68 0.00 0.00 178.15 176.44 1cey h VAL 21 N -0.11 1.40 -0.37 1.67 -1.51 -0.79 -2.73 116.25 113.82 1cey h VAL 21 Ca 0.02 -2.11 0.08 0.00 -1.23 0.00 0.00 66.70 63.46 1cey h VAL 21 Cb 0.25 2.09 -0.09 0.00 -2.13 0.00 0.00 31.29 31.42 1cey h VAL 21 CO 0.00 0.62 -0.28 0.03 -1.23 0.00 0.00 177.57 176.72 1cey h ARG 22 N 0.19 -0.21 0.52 5.19 2.47 -0.47 -0.53 114.38 121.53 1cey h ARG 22 Ca -0.02 0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 1cey h ARG 22 Cb 1.21 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.58 1cey h ARG 22 CO 0.11 -0.14 -0.25 -0.97 0.56 0.00 0.00 179.97 179.27 1cey h ASN 23 N -0.22 -0.59 -1.59 7.04 -1.24 -1.57 -2.49 115.58 114.92 1cey h ASN 23 Ca 0.17 -0.05 0.51 0.00 0.71 0.00 0.00 56.30 57.65 1cey h ASN 23 Cb 0.50 0.15 -0.12 0.00 0.73 0.00 0.00 38.32 39.58 1cey h ASN 23 CO -0.50 -0.20 1.07 0.25 -1.29 0.00 0.00 177.43 176.77 1cey h LEU 24 N -1.07 0.13 0.15 0.34 6.46 -1.17 1.66 115.31 121.81 1cey h LEU 24 Ca -0.07 0.11 -0.25 0.00 -0.12 0.00 0.00 57.88 57.54 1cey h LEU 24 Cb 0.60 0.11 0.03 0.00 -0.73 0.00 0.00 40.66 40.67 1cey h LEU 24 CO 0.12 -0.18 -1.09 -0.07 -0.62 0.00 0.00 178.44 176.60 1cey h LEU 25 N 0.00 0.69 -1.51 2.25 3.38 -0.99 -3.21 115.31 115.92 1cey h LEU 25 Ca 0.91 -0.89 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1cey h LEU 25 Cb 3.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 43.66 1cey h LEU 25 CO -0.32 1.52 0.37 0.50 0.09 0.00 0.00 178.44 180.60 1cey h LYS 26 N -0.03 0.62 -0.56 1.13 3.11 0.28 0.30 116.57 121.41 1cey h LYS 26 Ca -0.18 -0.04 0.16 0.00 -2.81 0.00 0.00 60.65 57.79 1cey h LYS 26 Cb 1.83 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.90 1cey h LYS 26 CO 0.21 0.41 0.43 1.49 -2.81 0.00 0.00 179.45 179.18 1cey h GLU 27 N 0.63 0.00 0.00 1.90 4.22 -0.64 0.64 114.58 121.33 1cey h GLU 27 Ca 0.22 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.66 1cey h GLU 27 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1cey h GLU 27 CO -0.06 0.00 -0.53 1.28 -2.18 0.00 0.00 179.01 177.52 1cey n LEU 28 N -4.23 0.58 0.00 1.64 4.77 0.08 -4.92 117.00 114.92 1cey n LEU 28 Ca 0.11 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1cey n LEU 28 Cb 0.66 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1cey n LEU 28 CO 0.35 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1cey n GLY 29 N 1.40 1.23 3.69 -0.72 0.00 0.22 -4.93 105.19 106.09 1cey n GLY 29 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.46 -0.50 1.61 0.08 -1.11 -4.22 117.98 115.29 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 -2.71 0.27 0.00 -0.57 0.00 0.00 43.02 40.02 1cey s PHE 30 CO 0.00 -0.01 0.68 0.09 -0.10 0.00 0.00 175.22 175.88 1cey n ASN 31 N 4.34 2.06 -2.80 1.36 3.02 -1.26 -3.88 115.26 118.11 1cey n ASN 31 Ca -0.04 -3.12 0.01 0.00 -0.03 0.00 0.00 54.58 51.41 1cey n ASN 31 Cb 0.51 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 39.04 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1cey s ASN 32 N -2.06 -0.43 0.02 6.41 3.04 -1.26 -5.01 114.94 115.65 1cey s ASN 32 Ca 0.39 -0.23 -0.01 0.00 0.04 0.00 0.00 52.86 53.05 1cey s ASN 32 Cb 0.20 0.55 -0.02 0.00 -1.54 0.00 0.00 41.25 40.43 1cey s ASN 32 CO -0.07 -0.05 -0.02 -0.69 -3.04 0.00 0.00 177.10 173.23 1cey s VAL 33 N 1.91 0.13 0.15 -5.21 1.01 -1.26 -2.03 120.40 115.10 1cey s VAL 33 Ca 0.15 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1cey s VAL 33 Cb 0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.93 1cey s VAL 33 CO -0.14 -0.58 0.03 -0.62 0.00 0.00 0.00 175.10 173.79 1cey n GLU 34 N 1.34 1.14 -3.78 2.72 1.02 -0.79 -4.97 120.64 117.31 1cey n GLU 34 Ca -0.22 -1.20 -0.09 0.00 -0.02 0.00 0.00 57.16 55.62 1cey n GLU 34 Cb 0.56 0.51 -0.06 0.00 -0.02 0.00 0.00 31.44 32.43 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1cey s GLU 35 N -2.57 0.90 0.07 3.49 2.12 -1.26 -2.60 118.70 118.85 1cey s GLU 35 Ca 0.04 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 1cey s GLU 35 Cb 0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1cey s GLU 35 CO 0.03 -0.31 0.10 0.00 -0.54 0.00 0.00 175.26 174.54 1cey n ALA 36 N -0.04 -0.09 -0.97 6.30 0.00 -0.99 -4.91 120.51 119.81 1cey n ALA 36 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1cey n ALA 36 Cb 0.62 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.11 0.07 -3.49 0.00 0.28 -1.26 -4.14 120.64 111.99 1cey n GLU 37 Ca -0.00 -0.46 0.00 0.00 -0.16 0.00 0.00 57.16 56.54 1cey n GLU 37 Cb 0.11 -0.51 0.00 0.00 1.43 0.00 0.00 31.44 32.46 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1cey n ASP 38 N -0.01 0.00 0.01 -1.84 5.68 -1.26 -4.77 116.55 114.36 1cey n ASP 38 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 1cey n ASP 38 Cb 0.46 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 39 N 0.00 0.77 0.26 6.12 0.00 -1.84 0.26 103.07 108.63 1cey h GLY 39 Ca 0.00 -1.17 0.16 0.00 0.00 0.00 0.00 47.33 46.32 1cey h GLY 39 CO 0.00 1.04 0.58 -2.08 0.00 0.00 0.00 176.54 176.08 1cey h VAL 40 N 0.44 0.78 0.00 4.60 2.07 -1.94 1.35 116.25 123.55 1cey h VAL 40 Ca -0.07 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1cey h VAL 40 Cb 1.49 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1cey h VAL 40 CO 0.17 0.15 -0.00 -0.78 0.02 0.00 0.00 177.57 177.13 1cey h ASP 41 N 0.81 -0.00 0.84 0.57 1.82 -1.89 -2.81 116.42 115.75 1cey h ASP 41 Ca 0.53 -0.90 -0.04 0.00 -0.39 0.00 0.00 57.03 56.23 1cey h ASP 41 Cb 0.71 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.73 1cey h ASP 41 CO -0.34 0.93 -0.40 0.00 -1.61 0.00 0.00 179.24 177.81 1cey h ALA 42 N -0.02 -1.13 -0.74 -0.78 0.00 0.10 0.53 119.26 117.21 1cey h ALA 42 Ca -0.00 -0.25 0.15 0.00 0.00 0.00 0.00 54.91 54.80 1cey h ALA 42 Cb 0.90 0.44 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 1cey h ALA 42 CO 0.00 -1.07 -0.22 1.25 0.00 0.00 0.00 179.25 179.21 1cey h LEU 43 N -1.26 -0.80 -0.86 0.00 5.85 0.16 2.15 115.31 120.55 1cey h LEU 43 Ca -0.12 0.23 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1cey h LEU 43 Cb 0.87 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1cey h LEU 43 CO 0.19 -0.26 -0.16 0.78 -0.34 0.00 0.00 178.44 178.65 1cey h ASN 44 N -0.02 0.67 -0.31 1.25 2.35 -1.35 -2.36 115.58 115.81 1cey h ASN 44 Ca 0.35 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1cey h ASN 44 Cb 0.56 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1cey h ASN 44 CO -0.78 0.84 0.00 0.29 -1.65 0.00 0.00 177.43 176.13 1cey n LYS 45 N -4.15 1.84 -0.02 0.81 4.76 0.19 -4.04 118.16 117.55 1cey n LYS 45 Ca 0.01 -1.29 -0.21 0.00 -2.87 0.00 0.00 58.31 53.95 1cey n LYS 45 Cb 0.38 -1.33 -0.13 0.00 -1.84 0.00 0.00 35.03 32.10 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 46 N 2.25 0.30 0.00 -0.35 7.12 0.38 -3.28 115.31 121.72 1cey h LEU 46 Ca 0.00 -0.81 0.00 0.00 0.13 0.00 0.00 57.88 57.20 1cey h LEU 46 Cb 0.51 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1cey h LEU 46 CO 0.00 1.65 0.00 0.00 -0.13 0.00 0.00 178.44 179.96 1cey n GLN 47 N -3.93 0.29 -0.01 1.25 6.02 -1.24 -3.44 117.38 116.32 1cey n GLN 47 Ca -0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.70 1cey n GLN 47 Cb 0.89 -1.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.72 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 2.42 -0.30 0.00 -1.58 0.00 -1.77 -3.39 119.26 114.64 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 0.00 0.75 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1cey h ALA 48 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.35 1cey n GLY 49 N -1.02 -1.37 1.10 0.00 0.00 -1.25 -5.08 105.19 97.58 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 -1.80 3.75 -0.02 0.00 -1.22 -4.99 105.19 100.90 1cey n GLY 50 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.14 3.34 -1.64 1.61 1.51 -1.26 -4.89 117.35 115.88 1cey s TYR 51 Ca 0.00 1.41 0.27 0.00 -1.01 0.00 0.00 57.07 57.74 1cey s TYR 51 Cb 0.00 -3.50 0.78 0.00 -0.11 0.00 0.00 41.96 39.13 1cey s TYR 51 CO 0.00 -1.39 1.58 0.41 -1.11 0.00 0.00 175.55 175.04 1cey n GLY 52 N 1.81 -0.74 3.32 0.71 0.00 -1.18 -4.83 105.19 104.28 1cey n GLY 52 Ca 0.03 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.57 -0.54 -0.14 1.61 5.36 -0.49 -4.16 117.98 117.05 1cey s PHE 53 Ca 0.23 1.25 -0.01 0.00 -0.96 0.00 0.00 56.93 57.44 1cey s PHE 53 Cb 0.19 0.22 0.04 0.00 -0.34 0.00 0.00 43.02 43.12 1cey s PHE 53 CO 0.54 -0.28 -0.04 0.08 -1.46 0.00 0.00 175.22 174.06 1cey s VAL 54 N 0.72 0.88 -0.72 3.12 1.01 -1.12 -2.05 120.40 122.24 1cey s VAL 54 Ca -0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1cey s VAL 54 Cb -0.05 -1.04 0.14 0.00 0.00 0.00 0.00 36.38 35.43 1cey s VAL 54 CO -0.05 0.19 0.78 -0.63 0.00 0.00 0.00 175.10 175.39 1cey s ILE 55 N 1.75 5.05 -0.16 2.22 1.01 0.08 -2.10 121.20 129.05 1cey s ILE 55 Ca 0.03 -1.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.07 1cey s ILE 55 Cb -0.14 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 1cey s ILE 55 CO -0.07 -1.15 0.03 -0.94 0.00 0.00 0.00 174.94 172.80 1cey s SER 56 N 3.24 5.36 -0.25 3.58 1.04 -1.25 -2.50 113.70 122.91 1cey s SER 56 Ca 0.16 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.54 1cey s SER 56 Cb -0.17 -1.84 -0.05 0.00 0.10 0.00 0.00 66.02 64.06 1cey s SER 56 CO -0.01 0.22 0.17 1.51 0.98 0.00 0.00 173.24 176.10 1cey s ASP 57 N 0.10 6.06 -0.88 7.02 -4.77 -1.26 -2.07 116.67 120.87 1cey s ASP 57 Ca 0.03 0.06 -0.25 0.00 -3.30 0.00 0.00 52.55 49.09 1cey s ASP 57 Cb -0.13 -2.11 -0.20 0.00 -1.09 0.00 0.00 42.92 39.39 1cey s ASP 57 CO 0.01 0.03 2.52 1.87 0.70 0.00 0.00 175.17 180.30 1cey n TRP 58 N 4.55 0.68 -0.66 2.11 -0.00 -1.16 -4.56 117.44 118.41 1cey n TRP 58 Ca -0.15 0.22 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1cey n TRP 58 Cb 0.52 -2.10 0.00 0.00 -0.00 0.00 0.00 31.31 29.73 1cey n TRP 58 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1cey n ASN 59 N 11.36 0.00 0.00 5.87 3.02 -1.26 -4.96 115.26 129.28 1cey n ASN 59 Ca 0.59 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1cey n ASN 59 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 1cey n ASN 59 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1cey n MET 60 N 0.00 3.04 -0.70 3.52 1.56 -1.26 -4.85 117.12 118.43 1cey n MET 60 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.13 1cey n MET 60 Cb 0.00 -0.88 0.20 0.00 2.15 0.00 0.00 33.22 34.68 1cey n MET 60 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1cey s PRO 61 N -1.76 0.24 0.12 2.12 0.02 -1.26 -4.77 135.00 129.71 1cey s PRO 61 Ca 0.00 1.16 -0.24 0.00 0.02 0.00 0.00 61.00 61.94 1cey s PRO 61 Cb 0.00 -1.67 -0.06 0.00 0.02 0.00 0.00 34.50 32.79 1cey s PRO 61 CO 0.00 -3.03 1.42 -2.95 -0.33 0.00 0.00 177.00 172.10 1cey h ASN 62 N -2.14 -1.60 0.00 2.53 -0.00 -2.03 0.22 115.58 112.56 1cey h ASN 62 Ca -0.52 0.23 -0.46 0.00 -0.00 0.00 0.00 56.30 55.55 1cey h ASN 62 Cb 1.30 0.69 -0.01 0.00 -0.00 0.00 0.00 38.32 40.30 1cey h ASN 62 CO 0.47 -0.22 2.15 0.23 -0.00 0.00 0.00 177.43 180.06 1cey n MET 63 N -4.74 2.92 0.00 4.14 2.81 -1.26 -4.78 117.12 116.21 1cey n MET 63 Ca 0.00 -1.68 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 1cey n MET 63 Cb 0.22 -2.46 0.00 0.00 -0.71 0.00 0.00 33.22 30.27 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1cey n ASP 64 N 3.20 0.00 0.00 7.83 5.68 0.76 -3.90 116.55 130.11 1cey n ASP 64 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1cey n ASP 64 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 65 N 0.00 0.00 0.24 6.12 0.00 -1.26 -4.50 105.19 105.78 1cey n GLY 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.44 -1.65 0.99 6.46 -1.93 -1.59 115.31 117.15 1cey h LEU 66 Ca 0.00 -0.09 0.33 0.00 -0.12 0.00 0.00 57.88 58.00 1cey h LEU 66 Cb 0.00 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 39.96 1cey h LEU 66 CO 0.00 0.01 0.80 -0.33 -0.62 0.00 0.00 178.44 178.29 1cey h GLU 67 N -1.05 0.17 -0.44 1.25 5.08 -1.91 1.42 114.58 119.10 1cey h GLU 67 Ca -0.05 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1cey h GLU 67 Cb 0.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1cey h GLU 67 CO 0.09 0.11 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.11 1cey h LEU 68 N 0.18 0.78 -0.22 1.33 4.07 -1.83 -1.59 115.31 118.03 1cey h LEU 68 Ca 0.62 -0.32 -0.07 0.00 0.08 0.00 0.00 57.88 58.19 1cey h LEU 68 Cb 2.04 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 43.57 1cey h LEU 68 CO -0.18 0.92 -0.15 0.25 -1.08 0.00 0.00 178.44 178.19 1cey h LEU 69 N 0.63 0.51 -1.77 1.67 5.85 0.27 -2.58 115.31 119.89 1cey h LEU 69 Ca 0.12 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1cey h LEU 69 Cb 0.54 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1cey h LEU 69 CO 0.03 0.84 0.23 0.50 -0.34 0.00 0.00 178.44 179.70 1cey h LYS 70 N 0.18 0.29 -0.40 1.25 3.64 -0.37 -0.97 116.57 120.18 1cey h LYS 70 Ca 0.04 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 1cey h LYS 70 Cb 0.67 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1cey h LYS 70 CO 0.04 0.19 -0.05 1.15 -2.27 0.00 0.00 179.45 178.51 1cey h THR 71 N 0.30 1.27 -0.22 1.00 2.02 -1.00 -2.40 112.91 113.88 1cey h THR 71 Ca 0.14 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.24 1cey h THR 71 Cb 0.20 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1cey h THR 71 CO -0.03 0.37 0.15 0.40 0.37 0.00 0.00 175.52 176.78 1cey h ILE 72 N 0.57 1.00 -0.04 3.11 2.04 -0.81 0.55 117.51 123.93 1cey h ILE 72 Ca 0.11 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 1cey h ILE 72 Cb 0.55 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1cey h ILE 72 CO 0.03 0.04 -0.25 -0.09 0.00 0.00 0.00 178.15 177.88 1cey h ARG 73 N 0.21 0.06 -0.04 2.37 1.12 -0.93 -1.82 114.38 115.35 1cey h ARG 73 Ca 0.09 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.96 1cey h ARG 73 Cb 0.10 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 1cey h ARG 73 CO -0.02 0.31 0.06 0.00 -3.11 0.00 0.00 179.97 177.21 1cey h ALA 74 N 1.69 1.48 -3.00 2.80 0.00 -0.74 -3.33 119.26 118.17 1cey h ALA 74 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 74 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1cey h ALA 74 CO 0.03 -0.08 0.00 -3.47 0.00 0.00 0.00 179.25 175.73 1cey n ASP 75 N -3.66 0.00 0.00 0.00 -0.08 -0.69 -4.99 116.55 107.14 1cey n ASP 75 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1cey n ASP 75 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 0.00 -0.42 0.36 0.27 0.00 -1.25 -4.87 105.19 99.28 1cey n GLY 76 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.33 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey h ALA 77 N 0.00 1.74 -0.59 4.61 0.00 -1.95 0.70 119.26 123.77 1cey h ALA 77 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 1cey h ALA 77 Cb 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.51 1cey h ALA 77 CO 0.00 -0.62 -0.48 -1.33 0.00 0.00 0.00 179.25 176.82 1cey n MET 78 N -3.03 2.90 0.00 0.00 2.81 -1.26 -4.74 117.12 113.79 1cey n MET 78 Ca 0.02 -3.78 0.01 0.00 -1.81 0.00 0.00 57.70 52.14 1cey n MET 78 Cb 0.62 -2.10 0.07 0.00 -0.71 0.00 0.00 33.22 31.11 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 -0.87 0.00 -0.78 7.83 7.64 0.24 -1.50 113.62 126.19 1cey n SER 79 Ca 0.40 -0.49 0.03 0.00 1.01 0.00 0.00 58.87 59.82 1cey n SER 79 Cb 0.90 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 64.14 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 -0.63 2.30 -1.65 -0.43 0.00 -1.26 -4.75 120.51 114.09 1cey n ALA 80 Ca 0.02 -1.84 -0.54 0.00 0.00 0.00 0.00 53.44 51.08 1cey n ALA 80 Cb 0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1cey n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1cey n LEU 81 N -0.12 2.12 -4.61 0.00 0.00 -0.56 -4.74 117.00 109.09 1cey n LEU 81 Ca 0.06 1.09 -0.46 0.00 0.00 0.00 0.00 56.01 56.70 1cey n LEU 81 Cb 0.84 -1.19 -0.04 0.00 0.00 0.00 0.00 43.42 43.02 1cey n LEU 81 CO -0.02 -0.71 1.69 -2.65 0.00 0.00 0.00 177.39 175.71 1cey n PRO 82 N 3.93 2.01 -3.88 1.96 -0.01 -1.26 -4.85 135.00 132.90 1cey n PRO 82 Ca 0.22 0.66 -0.35 0.00 -0.01 0.00 0.00 63.50 64.01 1cey n PRO 82 Cb 0.18 -2.87 -0.14 0.00 -0.01 0.00 0.00 33.50 30.66 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 6.17 3.47 -1.14 -1.45 1.01 -1.20 -2.79 120.40 124.46 1cey s VAL 83 Ca 0.98 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 1cey s VAL 83 Cb -0.56 -2.64 0.26 0.00 0.00 0.00 0.00 36.38 33.44 1cey s VAL 83 CO 0.44 0.34 1.23 -0.11 0.00 0.00 0.00 175.10 177.01 1cey n LEU 84 N 4.80 5.55 -4.59 3.92 7.94 -0.89 -0.63 117.00 133.09 1cey n LEU 84 Ca -0.17 -4.92 -0.42 0.00 -1.11 0.00 0.00 56.01 49.39 1cey n LEU 84 Cb 0.50 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 1cey n LEU 84 CO 0.29 1.24 1.68 -0.04 -1.11 0.00 0.00 177.39 179.45 1cey s MET 85 N -0.74 3.15 -0.11 1.96 -1.94 0.21 -3.90 119.30 117.93 1cey s MET 85 Ca 0.34 1.61 -0.12 0.00 -1.71 0.00 0.00 55.69 55.80 1cey s MET 85 Cb -0.07 -4.29 -0.05 0.00 2.01 0.00 0.00 34.83 32.43 1cey s MET 85 CO -0.05 -2.08 0.28 0.14 -0.01 0.00 0.00 175.02 173.31 1cey s VAL 86 N 7.84 5.29 0.34 -6.03 -7.23 -0.88 -2.42 120.40 117.30 1cey s VAL 86 Ca 0.88 0.53 -0.06 0.00 -1.81 0.00 0.00 61.98 61.53 1cey s VAL 86 Cb -0.25 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.10 1cey s VAL 86 CO 0.33 0.49 0.52 0.28 -0.31 0.00 0.00 175.10 176.41 1cey s THR 87 N -0.22 0.00 0.00 5.32 -1.32 -1.02 -2.98 115.64 115.41 1cey s THR 87 Ca 0.18 -1.49 0.07 0.00 -1.21 0.00 0.00 61.69 59.24 1cey s THR 87 Cb -0.14 -2.63 -0.02 0.00 -1.51 0.00 0.00 72.50 68.20 1cey s THR 87 CO 0.06 0.00 -0.23 0.00 -2.21 0.00 0.00 174.62 172.24 1cey s ALA 88 N -3.04 1.89 -0.93 11.08 0.00 -1.26 0.23 121.76 129.73 1cey s ALA 88 Ca 0.27 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1cey s ALA 88 Cb -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.66 1cey s ALA 88 CO 0.18 0.45 0.40 -1.91 0.00 0.00 0.00 175.76 174.88 1cey n GLU 89 N 2.30 -3.14 -1.60 0.00 2.13 -1.26 -4.88 120.64 114.19 1cey n GLU 89 Ca -0.16 0.55 -0.56 0.00 0.66 0.00 0.00 57.16 57.65 1cey n GLU 89 Cb 0.52 -4.66 -0.07 0.00 0.27 0.00 0.00 31.44 27.51 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 -2.96 -1.50 -1.17 4.31 0.00 -1.26 -4.95 120.51 112.98 1cey n ALA 90 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1cey n ALA 90 Cb 0.57 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 2.93 1.52 0.00 0.00 5.02 -1.26 -5.06 118.16 121.32 1cey n LYS 91 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1cey n LYS 91 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 1cey n LYS 91 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1cey n LYS 92 N 0.00 0.50 0.00 1.97 -0.00 -1.26 -4.79 118.16 114.58 1cey n LYS 92 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1cey n LYS 92 Cb 0.00 -0.30 -0.13 0.00 -0.00 0.00 0.00 35.03 34.60 1cey n LYS 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1cey h GLU 93 N 0.00 0.00 0.14 -1.58 4.11 -2.01 -3.34 114.58 111.89 1cey h GLU 93 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 1cey h GLU 93 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1cey h GLU 93 CO 0.00 0.61 -1.26 -0.91 0.07 0.00 0.00 179.01 177.52 1cey h ASN 94 N 0.00 0.56 0.14 3.06 4.21 -2.00 -3.04 115.58 118.50 1cey h ASN 94 Ca -0.20 -0.57 0.00 0.00 1.21 0.00 0.00 56.30 56.73 1cey h ASN 94 Cb 1.92 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.94 1cey h ASN 94 CO 0.09 1.43 0.00 -0.38 -1.29 0.00 0.00 177.43 177.28 1cey n ILE 95 N -3.62 0.91 -0.08 2.81 5.41 -1.26 -2.80 119.36 120.74 1cey n ILE 95 Ca -0.10 0.23 -0.07 0.00 1.00 0.00 0.00 62.75 63.80 1cey n ILE 95 Cb 1.02 -1.11 -0.03 0.00 -0.71 0.00 0.00 39.64 38.81 1cey n ILE 95 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1cey h ILE 96 N 0.00 0.14 -0.47 1.39 2.04 -1.65 -3.23 117.51 115.72 1cey h ILE 96 Ca 0.00 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.73 1cey h ILE 96 Cb 0.07 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 1cey h ILE 96 CO 0.00 0.05 -0.53 0.00 0.00 0.00 0.00 178.15 177.66 1cey h ALA 97 N -0.92 -0.72 -0.94 1.87 0.00 -1.56 0.68 119.26 117.67 1cey h ALA 97 Ca -0.06 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1cey h ALA 97 Cb 0.62 1.15 -0.12 0.00 0.00 0.00 0.00 17.79 19.44 1cey h ALA 97 CO -0.03 -1.00 0.49 0.00 0.00 0.00 0.00 179.25 178.71 1cey h ALA 98 N -0.03 1.56 -0.66 0.00 0.00 -1.75 0.13 119.26 118.50 1cey h ALA 98 Ca 0.08 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1cey h ALA 98 Cb 0.54 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1cey h ALA 98 CO -0.62 -0.26 -0.07 0.00 0.00 0.00 0.00 179.25 178.31 1cey h ALA 99 N 1.69 0.56 -0.29 0.00 0.00 0.35 1.11 119.26 122.68 1cey h ALA 99 Ca 0.58 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.80 1cey h ALA 99 Cb 1.05 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1cey h ALA 99 CO -0.47 -0.42 0.25 1.96 0.00 0.00 0.00 179.25 180.57 1cey h GLN 100 N 0.06 0.00 0.00 0.00 4.20 -0.27 -3.36 115.11 115.73 1cey h GLN 100 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1cey h GLN 100 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1cey h GLN 100 CO -0.62 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.54 1cey n ALA 101 N -2.47 0.00 -1.42 3.87 0.00 0.38 -4.96 120.51 115.90 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 4.12 -1.39 0.07 0.00 0.00 -1.16 -4.87 105.19 101.96 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 0.00 1.19 -0.33 4.61 0.00 -1.19 -3.25 120.51 121.53 1cey n ALA 103 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1cey n ALA 103 Cb 0.53 -0.83 0.39 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.31 0.00 -4.41 0.00 7.64 -1.26 -3.77 113.62 111.51 1cey n SER 104 Ca 0.00 0.47 -0.34 0.00 1.01 0.00 0.00 58.87 60.01 1cey n SER 104 Cb 0.00 -0.23 -0.13 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 -3.40 1.64 -0.17 0.23 0.00 0.20 -4.96 107.32 100.86 1cey s GLY 105 Ca -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 1cey s GLY 105 CO 0.42 0.05 0.14 -0.47 0.00 0.00 0.00 173.10 173.24 1cey s TYR 106 N 0.70 -0.01 -0.18 1.90 5.04 -1.25 0.67 117.35 124.23 1cey s TYR 106 Ca -0.03 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 1cey s TYR 106 Cb -0.15 -0.54 0.01 0.00 0.35 0.00 0.00 41.96 41.64 1cey s TYR 106 CO 0.02 -0.51 -0.17 0.54 -1.34 0.00 0.00 175.55 174.09 1cey s VAL 107 N 2.22 2.40 1.14 3.14 0.11 -1.01 -4.96 120.40 123.44 1cey s VAL 107 Ca 0.04 -0.84 -0.18 0.00 -2.93 0.00 0.00 61.98 58.07 1cey s VAL 107 Cb -0.15 -2.02 0.16 0.00 -1.53 0.00 0.00 36.38 32.84 1cey s VAL 107 CO -0.10 0.52 0.23 0.52 -3.33 0.00 0.00 175.10 172.95 1cey n VAL 108 N 4.45 0.00 -3.83 2.04 0.31 -1.26 -2.44 118.33 117.60 1cey n VAL 108 Ca -0.20 -0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 63.77 1cey n VAL 108 Cb 0.51 -0.66 -0.08 0.00 -0.91 0.00 0.00 33.84 32.70 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1cey s LYS 109 N -3.68 0.78 0.90 5.55 -2.85 0.64 -4.48 119.74 116.60 1cey s LYS 109 Ca 0.55 -0.74 -0.12 0.00 -1.00 0.00 0.00 55.97 54.66 1cey s LYS 109 Cb -0.12 0.32 0.13 0.00 -2.06 0.00 0.00 37.83 36.10 1cey s LYS 109 CO 0.60 -0.24 1.11 -1.25 0.10 0.00 0.00 175.35 175.67 1cey s PRO 110 N -3.10 1.21 0.08 1.78 0.05 -1.26 -4.38 135.00 129.39 1cey s PRO 110 Ca -0.01 0.51 0.03 0.00 0.05 0.00 0.00 61.00 61.57 1cey s PRO 110 Cb 0.01 -1.83 -0.04 0.00 0.05 0.00 0.00 34.50 32.70 1cey s PRO 110 CO -0.07 -2.19 -0.08 -0.59 0.05 0.00 0.00 177.00 174.11 1cey s PHE 111 N -3.12 0.92 0.21 0.56 -0.12 -1.26 -5.06 117.98 110.10 1cey s PHE 111 Ca 0.63 -0.70 -0.06 0.00 -0.05 0.00 0.00 56.93 56.75 1cey s PHE 111 Cb -0.16 -0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 41.65 1cey s PHE 111 CO 0.55 -0.07 0.48 0.99 -0.05 0.00 0.00 175.22 177.13 1cey s THR 112 N -2.59 5.05 0.36 -4.49 2.01 -1.26 -4.77 115.64 109.96 1cey s THR 112 Ca 0.04 0.17 0.16 0.00 0.31 0.00 0.00 61.69 62.37 1cey s THR 112 Cb -0.02 -3.65 0.36 0.00 0.01 0.00 0.00 72.50 69.20 1cey s THR 112 CO -0.01 -0.10 1.71 0.00 -0.69 0.00 0.00 174.62 175.52 1cey h ALA 113 N 2.39 2.09 -0.44 7.40 0.00 -1.98 1.39 119.26 130.12 1cey h ALA 113 Ca -0.47 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1cey h ALA 113 Cb 1.17 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1cey h ALA 113 CO 0.69 -0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.17 1cey h ALA 114 N 1.72 0.88 0.34 0.00 0.00 -1.97 0.14 119.26 120.36 1cey h ALA 114 Ca 0.68 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1cey h ALA 114 Cb 1.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1cey h ALA 114 CO -0.45 0.63 -0.16 1.15 0.00 0.00 0.00 179.25 180.42 1cey h THR 115 N 0.74 0.00 -0.88 0.00 2.02 0.13 0.40 112.91 115.32 1cey h THR 115 Ca 0.11 -0.15 0.20 0.00 0.77 0.00 0.00 66.41 67.33 1cey h THR 115 Cb 0.68 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.93 1cey h THR 115 CO 0.05 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 176.07 1cey h LEU 116 N -0.61 -0.65 -1.26 2.58 6.46 -0.61 1.17 115.31 122.40 1cey h LEU 116 Ca -0.05 0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1cey h LEU 116 Cb 0.35 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 1cey h LEU 116 CO 0.08 -0.28 0.36 -0.08 -0.62 0.00 0.00 178.44 177.90 1cey h GLU 117 N 0.02 0.87 -0.53 1.25 4.22 -0.60 -0.03 114.58 119.78 1cey h GLU 117 Ca 0.46 -0.08 0.06 0.00 0.08 0.00 0.00 59.36 59.88 1cey h GLU 117 Cb 0.80 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1cey h GLU 117 CO -0.86 0.63 0.36 1.49 -2.18 0.00 0.00 179.01 178.44 1cey h GLU 118 N 0.88 0.45 0.09 1.92 4.57 0.59 -2.35 114.58 120.73 1cey h GLU 118 Ca 0.23 -0.03 -0.34 0.00 -1.18 0.00 0.00 59.36 58.04 1cey h GLU 118 Cb 0.00 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1cey h GLU 118 CO -0.04 0.30 -1.89 1.17 -1.18 0.00 0.00 179.01 177.37 1cey n LYS 119 N -4.47 0.72 0.12 1.92 3.00 -0.70 -3.94 118.16 114.81 1cey n LYS 119 Ca 0.07 0.28 -0.05 0.00 -0.00 0.00 0.00 58.31 58.61 1cey n LYS 119 Cb 0.26 -1.74 -0.03 0.00 0.00 0.00 0.00 35.03 33.52 1cey n LYS 119 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 120 N 0.05 -0.32 -1.86 3.14 5.85 -0.65 -2.02 115.31 119.50 1cey h LEU 120 Ca -0.37 0.02 0.35 0.00 0.84 0.00 0.00 57.88 58.71 1cey h LEU 120 Cb 2.03 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 43.10 1cey h LEU 120 CO 0.09 -0.20 0.96 -1.13 -0.34 0.00 0.00 178.44 177.82 1cey h ASN 121 N -0.32 0.00 0.33 1.25 -1.24 -1.66 0.86 115.58 114.80 1cey h ASN 121 Ca -0.03 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.84 1cey h ASN 121 Cb 0.25 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1cey h ASN 121 CO 0.03 0.00 -0.59 0.11 -1.29 0.00 0.00 177.43 175.69 1cey h LYS 122 N 0.00 0.27 0.19 6.67 6.56 -1.51 -3.25 116.57 125.50 1cey h LYS 122 Ca 0.57 -0.18 -0.26 0.00 -1.06 0.00 0.00 60.65 59.72 1cey h LYS 122 Cb 2.49 0.03 0.03 0.00 -0.57 0.00 0.00 32.23 34.21 1cey h LYS 122 CO -0.01 0.78 -1.14 0.82 -2.06 0.00 0.00 179.45 177.84 1cey h ILE 123 N 0.20 1.40 0.00 1.86 2.04 0.14 -3.21 117.51 119.93 1cey h ILE 123 Ca -0.00 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.25 1cey h ILE 123 Cb 1.09 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 1cey h ILE 123 CO 0.09 0.76 0.00 0.49 0.00 0.00 0.00 178.15 179.49 1cey n PHE 124 N -3.93 0.00 0.07 1.37 3.01 -0.76 -0.92 117.46 116.30 1cey n PHE 124 Ca -0.15 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.26 1cey n PHE 124 Cb 0.96 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.34 1cey n PHE 124 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1cey h GLU 125 N 0.00 0.00 0.08 -1.08 4.39 -1.61 -2.57 114.58 113.79 1cey h GLU 125 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 1cey h GLU 125 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1cey h GLU 125 CO 0.00 0.78 -1.65 0.87 -1.16 0.00 0.00 179.01 177.85 1cey h LYS 126 N 0.00 0.18 -0.00 2.33 1.57 -1.25 -3.28 116.57 116.11 1cey h LYS 126 Ca -0.05 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.39 1cey h LYS 126 Cb 1.70 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 34.12 1cey h LYS 126 CO 0.10 0.97 -0.18 1.25 -0.57 0.00 0.00 179.45 181.01 1cey h LEU 127 N 0.05 0.01 -2.55 2.94 7.12 -1.59 -3.47 115.31 117.81 1cey h LEU 127 Ca -0.28 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.73 1cey h LEU 127 Cb 2.01 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.14 1cey h LEU 127 CO 0.12 0.19 -0.23 0.61 -0.13 0.00 0.00 178.44 179.01 1cey n GLY 128 N -1.00 -1.04 0.48 3.75 0.00 -0.97 -5.10 105.19 101.31 1cey n GLY 128 Ca -0.02 0.62 0.14 0.00 0.00 0.00 0.00 46.02 46.76 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47