#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey s ASP 3 N 0.00 -0.09 -0.10 0.00 2.15 -1.26 -5.02 116.67 112.35 1cey s ASP 3 Ca 0.00 0.09 0.08 0.00 0.43 0.00 0.00 52.55 53.16 1cey s ASP 3 Cb 0.00 0.08 0.41 0.00 -0.30 0.00 0.00 42.92 43.11 1cey s ASP 3 CO 0.00 -0.09 1.19 0.29 -0.17 0.00 0.00 175.17 176.39 1cey n LYS 4 N 0.51 2.81 -2.48 4.34 5.02 -1.26 -4.32 118.16 122.78 1cey n LYS 4 Ca -0.01 -1.61 -0.03 0.00 -2.02 0.00 0.00 58.31 54.64 1cey n LYS 4 Cb 0.59 -1.77 0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cey n GLU 5 N 0.40 0.99 -1.96 1.97 0.28 -1.26 -3.08 120.64 117.99 1cey n GLU 5 Ca 0.14 -1.09 -0.43 0.00 -0.16 0.00 0.00 57.16 55.62 1cey n GLU 5 Cb 0.66 0.21 -0.03 0.00 1.43 0.00 0.00 31.44 33.72 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cey s LEU 6 N -3.05 3.58 -0.41 -1.84 2.96 -1.26 -4.81 118.68 113.85 1cey s LEU 6 Ca 0.10 1.47 -0.40 0.00 -0.22 0.00 0.00 54.13 55.08 1cey s LEU 6 Cb 0.33 -3.52 -0.15 0.00 0.50 0.00 0.00 46.19 43.34 1cey s LEU 6 CO -0.09 -1.65 2.11 0.29 -1.32 0.00 0.00 176.35 175.69 1cey n LYS 7 N 8.33 0.58 -4.09 1.98 5.02 -1.26 -4.81 118.16 123.92 1cey n LYS 7 Ca 0.23 0.17 -0.26 0.00 -2.02 0.00 0.00 58.31 56.43 1cey n LYS 7 Cb 0.46 -1.98 -0.05 0.00 -0.02 0.00 0.00 35.03 33.44 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 6.25 3.14 -0.27 2.13 0.40 -1.06 -1.82 117.98 126.75 1cey s PHE 8 Ca 1.13 -0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.42 1cey s PHE 8 Cb -1.18 -1.50 0.08 0.00 0.51 0.00 0.00 43.02 40.93 1cey s PHE 8 CO 0.59 0.52 0.07 -1.17 0.70 0.00 0.00 175.22 175.93 1cey s LEU 9 N -3.13 1.85 -0.10 -0.37 2.96 -0.62 -1.94 118.68 117.33 1cey s LEU 9 Ca 0.31 -1.32 -0.20 0.00 -0.22 0.00 0.00 54.13 52.70 1cey s LEU 9 Cb -0.10 -0.78 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1cey s LEU 9 CO 0.23 -0.37 0.56 0.68 -1.32 0.00 0.00 176.35 176.13 1cey s VAL 10 N 1.70 5.13 -0.23 1.68 -7.23 -1.03 -0.35 120.40 120.07 1cey s VAL 10 Ca 0.05 1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 61.31 1cey s VAL 10 Cb -0.17 -3.90 0.08 0.00 0.56 0.00 0.00 36.38 32.95 1cey s VAL 10 CO -0.19 0.30 0.09 -0.69 -0.31 0.00 0.00 175.10 174.31 1cey s VAL 11 N 0.66 0.15 -0.19 1.32 1.01 -0.77 -2.32 120.40 120.26 1cey s VAL 11 Ca 0.30 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1cey s VAL 11 Cb -0.16 -0.93 0.09 0.00 0.00 0.00 0.00 36.38 35.38 1cey s VAL 11 CO 0.13 -0.47 0.34 -1.81 0.00 0.00 0.00 175.10 173.29 1cey s ASP 12 N 2.01 0.22 0.45 3.32 1.11 -1.26 -0.80 116.67 121.73 1cey s ASP 12 Ca 0.05 0.55 0.11 0.00 0.18 0.00 0.00 52.55 53.44 1cey s ASP 12 Cb -0.16 0.99 0.60 0.00 1.07 0.00 0.00 42.92 45.42 1cey s ASP 12 CO -0.20 -0.26 1.24 -0.78 1.18 0.00 0.00 175.17 176.34 1cey h ASP 13 N 8.23 0.00 -2.62 0.27 3.58 -1.88 -3.40 116.42 120.59 1cey h ASP 13 Ca -0.16 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.76 1cey h ASP 13 Cb 1.13 0.00 0.06 0.00 1.72 0.00 0.00 39.33 42.24 1cey h ASP 13 CO 0.18 0.00 0.99 0.49 -2.88 0.00 0.00 179.24 178.02 1cey n PHE 14 N -2.23 2.72 -1.49 0.28 3.72 -1.26 -4.86 117.46 114.33 1cey n PHE 14 Ca -0.01 0.06 -0.28 0.00 -0.05 0.00 0.00 57.45 57.17 1cey n PHE 14 Cb 0.56 -2.66 -0.03 0.00 -0.94 0.00 0.00 39.48 36.40 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1cey n SER 15 N 3.92 6.67 0.00 4.37 7.64 -1.26 -3.86 113.62 131.09 1cey n SER 15 Ca 0.16 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1cey n SER 15 Cb 0.34 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 0.56 0.00 0.03 0.44 5.66 -1.26 -4.96 114.28 114.74 1cey n THR 16 Ca 0.48 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.39 1cey n THR 16 Cb 0.51 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.33 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 0.47 -0.19 1.09 -1.53 -1.91 -3.00 114.93 109.86 1cey h MET 17 Ca 0.00 -0.34 -0.03 0.00 -3.44 0.00 0.00 59.70 55.88 1cey h MET 17 Cb 0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1cey h MET 17 CO 0.00 0.96 -0.04 0.00 0.14 0.00 0.00 176.91 177.97 1cey h ARG 18 N 0.34 0.29 0.00 0.39 3.08 -1.89 -1.13 114.38 115.46 1cey h ARG 18 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1cey h ARG 18 Cb 1.20 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 1cey h ARG 18 CO 0.12 0.35 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.26 1cey h ARG 19 N 0.28 0.00 -0.01 0.04 2.43 -1.92 -2.57 114.38 112.64 1cey h ARG 19 Ca 0.06 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1cey h ARG 19 Cb 0.25 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1cey h ARG 19 CO 0.01 0.01 -0.28 0.82 -1.51 0.00 0.00 179.97 179.03 1cey h ILE 20 N 0.00 1.52 -0.09 1.20 2.04 -1.11 -3.29 117.51 117.78 1cey h ILE 20 Ca -0.00 -1.91 -0.14 0.00 1.00 0.00 0.00 64.86 63.82 1cey h ILE 20 Cb 0.80 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 1cey h ILE 20 CO 0.00 0.53 -0.54 -0.37 0.00 0.00 0.00 178.15 177.77 1cey h VAL 21 N -0.43 1.36 -0.62 1.67 -1.51 -1.51 -2.63 116.25 112.58 1cey h VAL 21 Ca -0.03 -1.83 0.12 0.00 -1.23 0.00 0.00 66.70 63.72 1cey h VAL 21 Cb 1.01 1.89 -0.12 0.00 -2.13 0.00 0.00 31.29 31.94 1cey h VAL 21 CO 0.05 0.54 -0.28 0.03 -1.23 0.00 0.00 177.57 176.69 1cey h ARG 22 N 0.21 -0.10 0.31 5.19 3.08 -1.52 0.14 114.38 121.69 1cey h ARG 22 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1cey h ARG 22 Cb 1.02 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1cey h ARG 22 CO 0.09 -0.07 -0.15 -0.97 -1.07 0.00 0.00 179.97 177.80 1cey h ASN 23 N -0.11 -0.35 -0.98 7.04 -1.24 -1.65 -2.72 115.58 115.57 1cey h ASN 23 Ca 0.27 -0.02 0.14 0.00 0.71 0.00 0.00 56.30 57.40 1cey h ASN 23 Cb 0.53 0.09 -0.15 0.00 0.73 0.00 0.00 38.32 39.53 1cey h ASN 23 CO -0.69 0.10 -0.43 0.25 -1.29 0.00 0.00 177.43 175.38 1cey h LEU 24 N -1.10 -1.59 -0.05 0.34 6.46 -1.20 0.56 115.31 118.73 1cey h LEU 24 Ca -0.04 0.31 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1cey h LEU 24 Cb 0.35 0.80 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1cey h LEU 24 CO 0.07 -0.28 -0.04 -0.07 -0.62 0.00 0.00 178.44 177.50 1cey h LEU 25 N -0.01 -0.13 -1.55 2.25 3.38 -0.84 -0.91 115.31 117.49 1cey h LEU 25 Ca 0.30 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.46 1cey h LEU 25 Cb 0.56 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1cey h LEU 25 CO -0.97 -0.06 0.52 0.11 0.09 0.00 0.00 178.44 178.13 1cey h LYS 26 N -0.06 0.42 -0.99 1.13 1.57 0.00 0.89 116.57 119.54 1cey h LYS 26 Ca 0.04 -0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.00 1cey h LYS 26 Cb 0.11 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 1cey h LYS 26 CO -0.08 0.28 0.62 1.49 -0.57 0.00 0.00 179.45 181.18 1cey h GLU 27 N 0.43 0.62 0.09 3.15 4.81 0.14 -2.85 114.58 120.96 1cey h GLU 27 Ca 0.39 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1cey h GLU 27 Cb 0.88 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1cey h GLU 27 CO -0.13 0.41 -0.04 1.25 -0.73 0.00 0.00 179.01 179.76 1cey h LEU 28 N 0.64 -0.10 0.00 1.64 7.12 -0.81 -3.48 115.31 120.31 1cey h LEU 28 Ca 0.57 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.58 1cey h LEU 28 Cb 1.06 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1cey h LEU 28 CO -0.34 0.13 0.00 0.61 -0.13 0.00 0.00 178.44 178.72 1cey n GLY 29 N 1.33 0.00 3.87 3.75 0.00 -1.08 -5.10 105.19 107.96 1cey n GLY 29 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 3.56 -0.42 1.61 0.08 -1.21 -4.00 117.98 117.61 1cey s PHE 30 Ca 0.00 0.46 0.09 0.00 0.12 0.00 0.00 56.93 57.60 1cey s PHE 30 Cb 0.00 -1.90 0.34 0.00 -0.57 0.00 0.00 43.02 40.88 1cey s PHE 30 CO 0.00 0.70 0.93 -1.71 -0.10 0.00 0.00 175.22 175.04 1cey n ASN 31 N 1.74 -0.77 -3.03 1.36 2.85 -1.18 -3.93 115.26 112.31 1cey n ASN 31 Ca -0.18 -3.36 0.04 0.00 -0.11 0.00 0.00 54.58 50.97 1cey n ASN 31 Cb 0.54 0.66 0.00 0.00 1.24 0.00 0.00 39.78 42.23 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 -1.85 -0.54 0.29 1.20 2.47 -1.26 -4.99 114.94 110.26 1cey s ASN 32 Ca 0.31 -0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.54 1cey s ASN 32 Cb 0.32 1.08 -0.00 0.00 -1.45 0.00 0.00 41.25 41.19 1cey s ASN 32 CO -0.06 -0.08 0.36 1.33 -3.72 0.00 0.00 177.10 174.92 1cey n VAL 33 N 4.61 0.00 -4.17 -5.21 0.24 -1.26 -2.57 118.33 109.97 1cey n VAL 33 Ca 0.08 -1.72 -0.11 0.00 -2.04 0.00 0.00 64.34 60.55 1cey n VAL 33 Cb 0.59 0.97 -0.04 0.00 -1.47 0.00 0.00 33.84 33.89 1cey n VAL 33 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1cey n GLU 34 N -0.51 0.26 -3.88 7.34 -0.58 -0.82 -4.94 120.64 117.51 1cey n GLU 34 Ca 0.03 -1.93 -0.11 0.00 -0.42 0.00 0.00 57.16 54.73 1cey n GLU 34 Cb 0.51 1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 32.84 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -2.79 0.48 0.29 3.49 8.01 -1.26 -2.45 118.70 124.47 1cey s GLU 35 Ca 0.23 -0.43 0.03 0.00 0.01 0.00 0.00 54.97 54.80 1cey s GLU 35 Cb 0.01 0.20 -0.03 0.00 -4.31 0.00 0.00 34.13 30.00 1cey s GLU 35 CO 0.16 -0.11 0.28 0.00 0.01 0.00 0.00 175.26 175.59 1cey s ALA 36 N -1.45 1.43 -0.71 5.21 0.00 -0.98 -4.98 121.76 120.28 1cey s ALA 36 Ca -0.14 -1.85 0.06 0.00 0.00 0.00 0.00 51.96 50.03 1cey s ALA 36 Cb -0.08 1.39 0.10 0.00 0.00 0.00 0.00 23.12 24.53 1cey s ALA 36 CO 0.01 -0.67 0.86 0.39 0.00 0.00 0.00 175.76 176.35 1cey n GLU 37 N -0.51 0.97 -3.39 0.00 1.02 -1.26 -4.08 120.64 113.39 1cey n GLU 37 Ca 0.05 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 1cey n GLU 37 Cb 0.63 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 0.26 0.00 0.19 1.62 5.68 -1.26 -4.50 116.55 118.55 1cey n ASP 38 Ca 0.05 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.40 1cey n ASP 38 Cb 0.23 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.58 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 0.00 0.97 6.12 0.00 -1.82 0.21 103.07 108.54 1cey h GLY 39 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1cey h GLY 39 CO 0.00 0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.49 1cey h VAL 40 N 0.00 1.25 -0.01 4.60 2.07 -1.92 0.35 116.25 122.59 1cey h VAL 40 Ca -0.00 -0.98 -0.24 0.00 0.82 0.00 0.00 66.70 66.30 1cey h VAL 40 Cb 0.83 1.02 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1cey h VAL 40 CO 0.05 0.34 -0.94 -0.78 0.02 0.00 0.00 177.57 176.26 1cey h ASP 41 N 0.61 0.85 -0.80 0.57 1.82 -1.86 -2.85 116.42 114.76 1cey h ASP 41 Ca 0.13 -0.73 -0.03 0.00 -0.39 0.00 0.00 57.03 56.01 1cey h ASP 41 Cb 0.44 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.16 1cey h ASP 41 CO 0.02 1.47 0.39 0.00 -1.61 0.00 0.00 179.24 179.51 1cey h ALA 42 N 0.40 1.17 -0.06 -0.78 0.00 -0.44 -0.47 119.26 119.07 1cey h ALA 42 Ca -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1cey h ALA 42 Cb 1.60 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cey h ALA 42 CO 0.19 0.63 0.03 -0.07 0.00 0.00 0.00 179.25 180.03 1cey h LEU 43 N 1.14 0.08 -1.72 0.00 3.38 -0.29 1.07 115.31 118.98 1cey h LEU 43 Ca 0.28 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1cey h LEU 43 Cb 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cey h LEU 43 CO -0.04 0.18 -0.16 0.78 0.09 0.00 0.00 178.44 179.29 1cey h ASN 44 N -0.03 0.00 0.78 -0.43 2.35 -1.24 -2.58 115.58 114.43 1cey h ASN 44 Ca 0.02 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1cey h ASN 44 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1cey h ASN 44 CO -0.00 0.16 -1.31 1.17 -1.65 0.00 0.00 177.43 175.80 1cey n LYS 45 N -4.22 0.62 0.30 0.81 3.00 -0.21 -3.92 118.16 114.54 1cey n LYS 45 Ca -0.02 0.19 0.18 0.00 -0.00 0.00 0.00 58.31 58.66 1cey n LYS 45 Cb 0.23 -1.81 1.02 0.00 0.00 0.00 0.00 35.03 34.47 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 -0.00 0.16 0.25 115.31 118.86 1cey h LEU 46 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1cey h LEU 46 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.08 1cey h LEU 46 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 1cey n GLN 47 N -3.50 0.70 0.00 1.13 10.64 -1.24 -3.74 117.38 121.37 1cey n GLN 47 Ca -0.02 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1cey n GLN 47 Cb 0.13 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.01 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey n ALA 48 N -1.08 -0.02 -1.60 2.61 0.00 0.87 -4.61 120.51 116.67 1cey n ALA 48 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1cey n ALA 48 Cb 0.12 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.86 -0.64 0.69 0.00 0.00 -1.26 -5.07 105.19 98.04 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 -1.16 3.57 -0.02 0.00 -1.25 -4.93 105.19 101.40 1cey n GLY 50 Ca 0.00 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.08 1.74 -0.63 1.61 2.02 -1.26 -4.77 117.35 115.97 1cey s TYR 51 Ca 0.00 0.75 0.00 0.00 -0.37 0.00 0.00 57.07 57.45 1cey s TYR 51 Cb 0.00 -4.10 0.00 0.00 -0.40 0.00 0.00 41.96 37.46 1cey s TYR 51 CO 0.00 -2.51 0.75 0.41 -1.57 0.00 0.00 175.55 172.63 1cey n GLY 52 N 5.58 -0.27 3.41 0.71 0.00 -1.16 -4.28 105.19 109.17 1cey n GLY 52 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.50 -0.75 -0.19 1.61 5.36 -0.75 -4.03 117.98 116.72 1cey s PHE 53 Ca 0.00 1.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.55 1cey s PHE 53 Cb 0.00 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 43.10 1cey s PHE 53 CO 0.00 -0.39 -0.09 0.08 -1.46 0.00 0.00 175.22 173.35 1cey s VAL 54 N 1.33 1.54 -1.10 3.12 1.01 -1.08 -1.58 120.40 123.65 1cey s VAL 54 Ca -0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1cey s VAL 54 Cb -0.07 -1.64 0.29 0.00 0.00 0.00 0.00 36.38 34.95 1cey s VAL 54 CO -0.13 0.15 1.20 -0.38 0.00 0.00 0.00 175.10 175.94 1cey n ILE 55 N 4.72 4.70 -3.74 2.22 5.41 0.52 -2.10 119.36 131.09 1cey n ILE 55 Ca -0.14 -5.51 -0.35 0.00 1.00 0.00 0.00 62.75 57.74 1cey n ILE 55 Cb 0.47 -2.46 -0.09 0.00 -0.71 0.00 0.00 39.64 36.85 1cey n ILE 55 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1cey s SER 56 N 0.49 6.13 0.95 4.38 1.04 -1.26 -1.85 113.70 123.58 1cey s SER 56 Ca 0.31 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 1cey s SER 56 Cb -0.06 -2.08 0.16 0.00 0.10 0.00 0.00 66.02 64.14 1cey s SER 56 CO -0.04 0.15 1.09 -0.62 0.98 0.00 0.00 173.24 174.81 1cey s ASP 57 N 0.53 2.85 0.00 7.02 -1.08 0.02 -2.54 116.67 123.47 1cey s ASP 57 Ca 0.07 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.84 1cey s ASP 57 Cb -0.12 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1cey s ASP 57 CO -0.00 -3.07 0.49 1.87 0.52 0.00 0.00 175.17 174.99 1cey n TRP 58 N -4.18 0.00 -1.72 -5.34 -0.00 -0.85 -4.21 117.44 101.13 1cey n TRP 58 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1cey n TRP 58 Cb 0.54 -0.08 0.00 0.00 -0.00 0.00 0.00 31.31 31.76 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 -0.99 -0.40 0.00 5.87 4.13 -1.26 -3.39 115.26 119.21 1cey n ASN 59 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1cey n ASN 59 Cb 0.03 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 1cey n ASN 59 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1cey n MET 60 N 0.00 0.00 -1.94 3.52 0.00 -1.26 -4.85 117.12 112.58 1cey n MET 60 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.28 1cey n MET 60 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1cey n MET 60 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1cey s PRO 61 N 0.00 4.20 1.28 2.12 0.02 -1.26 -4.68 135.00 136.69 1cey s PRO 61 Ca 0.00 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1cey s PRO 61 Cb 0.00 -3.58 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1cey s PRO 61 CO 0.00 -0.72 0.00 0.09 -0.33 0.00 0.00 177.00 176.04 1cey n ASN 62 N 5.54 0.00 -4.58 2.53 3.02 -1.26 -4.24 115.26 116.27 1cey n ASN 62 Ca 0.16 0.00 -0.56 0.00 -0.03 0.00 0.00 54.58 54.15 1cey n ASN 62 Cb 0.41 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.50 1cey n ASN 62 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 1cey n MET 63 N 1.46 1.02 -0.07 3.52 0.00 -1.26 -4.93 117.12 116.86 1cey n MET 63 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.70 58.04 1cey n MET 63 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 31.06 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1cey n ASP 64 N 7.07 0.00 0.00 3.17 5.75 -1.26 -4.11 116.55 127.18 1cey n ASP 64 Ca 0.34 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1cey n ASP 64 Cb 0.14 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.26 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cey n GLY 65 N 5.00 -0.04 0.03 6.12 0.00 -1.22 -3.22 105.19 111.86 1cey n GLY 65 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -1.24 0.99 5.85 -1.87 -2.89 115.31 116.15 1cey h LEU 66 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1cey h LEU 66 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1cey h LEU 66 CO 0.00 0.27 0.58 -0.08 -0.34 0.00 0.00 178.44 178.87 1cey h GLU 67 N -0.48 0.00 0.48 1.25 4.57 -1.88 0.28 114.58 118.80 1cey h GLU 67 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1cey h GLU 67 Cb 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1cey h GLU 67 CO 0.00 0.00 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.53 1cey h LEU 68 N 0.00 -0.54 0.15 1.64 3.38 -1.64 -2.76 115.31 115.53 1cey h LEU 68 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1cey h LEU 68 Cb 1.17 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1cey h LEU 68 CO 0.00 -0.23 -0.12 -0.07 0.09 0.00 0.00 178.44 178.11 1cey h LEU 69 N -0.95 -0.32 -0.52 1.67 3.38 -0.25 -2.40 115.31 115.92 1cey h LEU 69 Ca -0.07 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1cey h LEU 69 Cb 0.49 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1cey h LEU 69 CO 0.11 -0.17 -0.19 1.17 0.09 0.00 0.00 178.44 179.45 1cey n LYS 70 N -2.99 -0.11 -0.06 1.13 4.81 -0.62 0.28 118.16 120.60 1cey n LYS 70 Ca -0.03 0.81 -0.09 0.00 -0.87 0.00 0.00 58.31 58.12 1cey n LYS 70 Cb 0.11 -1.20 -0.02 0.00 0.02 0.00 0.00 35.03 33.94 1cey n LYS 70 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1cey h THR 71 N 0.00 1.02 -0.84 3.15 2.02 -1.31 0.65 112.91 117.59 1cey h THR 71 Ca 0.20 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.32 1cey h THR 71 Cb 0.33 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 1cey h THR 71 CO -0.52 0.05 0.55 0.40 0.37 0.00 0.00 175.52 176.37 1cey h ILE 72 N 0.27 1.12 -0.00 3.11 2.04 0.46 0.50 117.51 125.00 1cey h ILE 72 Ca 0.09 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1cey h ILE 72 Cb 0.01 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1cey h ILE 72 CO -0.05 0.19 -0.17 -1.14 0.00 0.00 0.00 178.15 176.97 1cey n ARG 73 N -4.46 0.24 0.15 2.37 0.00 0.94 -3.47 116.66 112.43 1cey n ARG 73 Ca 0.11 -0.08 0.02 0.00 -0.00 0.00 0.00 57.85 57.91 1cey n ARG 73 Cb 0.13 -1.50 0.16 0.00 0.00 0.00 0.00 32.46 31.26 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey h ALA 74 N 3.22 0.80 -0.07 5.13 0.00 0.26 -3.41 119.26 125.19 1cey h ALA 74 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1cey h ALA 74 Cb 0.45 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1cey h ALA 74 CO 0.00 0.65 0.13 -3.47 0.00 0.00 0.00 179.25 176.56 1cey n ASP 75 N -3.43 1.17 0.00 0.00 2.03 -1.18 -4.78 116.55 110.36 1cey n ASP 75 Ca 0.00 -2.44 0.00 0.00 0.52 0.00 0.00 54.79 52.87 1cey n ASP 75 Cb 0.65 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 76 N 6.00 1.49 3.26 0.27 0.00 -1.26 -2.73 105.19 112.20 1cey n GLY 76 Ca 0.40 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 5.38 4.43 -2.54 4.61 0.00 -1.26 -4.70 120.51 126.43 1cey n ALA 77 Ca 0.00 -4.46 -0.12 0.00 0.00 0.00 0.00 53.44 48.86 1cey n ALA 77 Cb 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 19.45 16.71 1cey n ALA 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1cey n MET 78 N 3.86 2.32 -0.11 0.00 0.00 -1.11 -4.88 117.12 117.21 1cey n MET 78 Ca 0.32 -3.77 0.00 0.00 0.00 0.00 0.00 57.70 54.26 1cey n MET 78 Cb 0.39 -1.79 0.00 0.00 0.00 0.00 0.00 33.22 31.82 1cey n MET 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1cey n SER 79 N -0.49 2.47 -0.08 6.12 7.64 -1.26 -3.60 113.62 124.42 1cey n SER 79 Ca 0.21 -1.51 -0.22 0.00 1.01 0.00 0.00 58.87 58.37 1cey n SER 79 Cb 0.83 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.44 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey h ALA 80 N 2.02 0.31 0.00 -0.43 0.00 -1.93 -3.46 119.26 115.77 1cey h ALA 80 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 54.91 53.34 1cey h ALA 80 Cb 0.65 0.74 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1cey h ALA 80 CO 0.00 0.87 1.16 1.28 0.00 0.00 0.00 179.25 182.56 1cey n LEU 81 N -4.19 -0.06 -4.77 0.00 7.99 -1.24 -4.78 117.00 109.96 1cey n LEU 81 Ca -0.32 0.01 -0.41 0.00 -0.01 0.00 0.00 56.01 55.28 1cey n LEU 81 Cb 0.78 -0.54 -0.02 0.00 -0.11 0.00 0.00 43.42 43.54 1cey n LEU 81 CO 0.25 -0.56 1.05 -2.84 -1.51 0.00 0.00 177.39 173.78 1cey s PRO 82 N 5.49 4.26 -0.08 3.23 0.02 -1.26 -4.94 135.00 141.72 1cey s PRO 82 Ca 0.86 2.34 0.01 0.00 0.02 0.00 0.00 61.00 64.24 1cey s PRO 82 Cb -0.75 -3.05 0.02 0.00 0.02 0.00 0.00 34.50 30.74 1cey s PRO 82 CO 0.32 -0.34 -0.08 0.08 -0.33 0.00 0.00 177.00 176.66 1cey s VAL 83 N -0.92 0.89 -0.93 3.83 1.01 -1.25 -2.64 120.40 120.40 1cey s VAL 83 Ca 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1cey s VAL 83 Cb -0.42 -0.88 0.28 0.00 0.00 0.00 0.00 36.38 35.35 1cey s VAL 83 CO 0.54 0.32 1.14 -0.11 0.00 0.00 0.00 175.10 177.00 1cey n LEU 84 N 4.38 5.27 -4.51 3.92 7.94 -0.89 0.72 117.00 133.84 1cey n LEU 84 Ca -0.18 -5.26 -0.37 0.00 -1.11 0.00 0.00 56.01 49.09 1cey n LEU 84 Cb 0.51 -1.09 0.06 0.00 0.53 0.00 0.00 43.42 43.43 1cey n LEU 84 CO 0.20 1.76 0.19 0.23 -1.11 0.00 0.00 177.39 178.66 1cey n MET 85 N 1.41 0.49 -4.64 1.96 2.81 -0.32 -4.31 117.12 114.53 1cey n MET 85 Ca 0.26 0.21 -0.27 0.00 -1.81 0.00 0.00 57.70 56.09 1cey n MET 85 Cb 0.36 -1.88 -0.17 0.00 -0.71 0.00 0.00 33.22 30.83 1cey n MET 85 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cey s VAL 86 N -1.76 1.37 0.33 2.03 1.01 -1.05 -1.97 120.40 120.35 1cey s VAL 86 Ca 0.69 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1cey s VAL 86 Cb -0.39 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1cey s VAL 86 CO 0.54 0.41 0.51 0.28 0.00 0.00 0.00 175.10 176.84 1cey s THR 87 N 0.73 0.00 0.00 3.92 -1.32 -1.10 -2.01 115.64 115.85 1cey s THR 87 Ca -0.13 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 1cey s THR 87 Cb -0.16 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1cey s THR 87 CO 0.03 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.44 1cey n ALA 88 N -0.53 0.00 -1.58 11.08 0.00 -1.26 -0.34 120.51 127.89 1cey n ALA 88 Ca -0.01 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.93 1cey n ALA 88 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 1cey n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 89 N 0.00 1.10 -3.17 0.00 1.02 -1.26 -4.59 120.64 113.73 1cey n GLU 89 Ca 0.00 0.39 -0.43 0.00 -0.02 0.00 0.00 57.16 57.10 1cey n GLU 89 Cb 0.00 -1.92 -0.07 0.00 -0.02 0.00 0.00 31.44 29.43 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey s ALA 90 N -0.03 3.37 1.02 0.62 0.00 -1.26 -5.05 121.76 120.43 1cey s ALA 90 Ca 0.77 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1cey s ALA 90 Cb -0.89 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.03 1cey s ALA 90 CO 0.51 -1.73 0.13 1.63 0.00 0.00 0.00 175.76 176.29 1cey n LYS 91 N 6.06 -0.89 0.00 0.00 4.01 -1.26 -5.00 118.16 121.08 1cey n LYS 91 Ca -0.03 -0.20 0.00 0.00 -0.51 0.00 0.00 58.31 57.57 1cey n LYS 91 Cb 0.48 -0.17 0.00 0.00 -0.51 0.00 0.00 35.03 34.83 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1cey n LYS 92 N -1.69 0.00 0.00 1.97 5.02 -1.26 -4.13 118.16 118.07 1cey n LYS 92 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1cey n LYS 92 Cb 0.06 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1cey n LYS 92 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 93 N -0.62 0.00 -0.03 1.97 1.02 -1.26 -1.27 120.64 120.46 1cey n GLU 93 Ca 0.00 0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 57.22 1cey n GLU 93 Cb 0.00 -1.71 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 1cey n GLU 93 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1cey h ASN 94 N 0.00 -0.04 0.52 1.62 -0.26 -1.97 -3.03 115.58 112.42 1cey h ASN 94 Ca 0.00 -0.64 -0.07 0.00 -0.56 0.00 0.00 56.30 55.03 1cey h ASN 94 Cb 0.42 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1cey h ASN 94 CO 0.00 0.71 -0.35 0.40 -1.06 0.00 0.00 177.43 177.12 1cey h ILE 95 N -0.89 1.06 0.46 2.81 2.04 -1.34 -3.11 117.51 118.54 1cey h ILE 95 Ca -0.01 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 1cey h ILE 95 Cb 0.68 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1cey h ILE 95 CO 0.01 0.35 -0.22 0.40 0.00 0.00 0.00 178.15 178.68 1cey h ILE 96 N 0.00 0.00 -0.58 -0.67 2.04 -1.60 0.37 117.51 117.07 1cey h ILE 96 Ca -0.00 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1cey h ILE 96 Cb 0.71 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.69 1cey h ILE 96 CO 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 178.15 177.74 1cey h ALA 97 N -1.57 -0.39 -0.63 1.87 0.00 -1.58 0.13 119.26 117.08 1cey h ALA 97 Ca -0.06 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1cey h ALA 97 Cb 0.48 1.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1cey h ALA 97 CO 0.10 -0.86 0.42 0.00 0.00 0.00 0.00 179.25 178.91 1cey h ALA 98 N 0.53 0.80 -0.69 0.00 0.00 -1.58 -2.43 119.26 115.89 1cey h ALA 98 Ca 0.17 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1cey h ALA 98 Cb 0.56 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1cey h ALA 98 CO -0.69 0.24 0.33 0.00 0.00 0.00 0.00 179.25 179.13 1cey h ALA 99 N 1.23 0.94 0.00 0.00 0.00 0.22 0.28 119.26 121.93 1cey h ALA 99 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1cey h ALA 99 Cb -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1cey h ALA 99 CO -0.05 -0.07 0.00 0.37 0.00 0.00 0.00 179.25 179.50 1cey h GLN 100 N 0.57 0.00 0.00 0.00 5.75 -0.39 -3.38 115.11 117.66 1cey h GLN 100 Ca 0.34 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 1cey h GLN 100 Cb 0.36 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.91 1cey h GLN 100 CO -0.27 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 175.91 1cey n ALA 101 N -2.08 0.00 -0.66 3.38 0.00 0.97 -4.98 120.51 117.15 1cey n ALA 101 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1cey n ALA 101 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 4.38 0.07 0.07 0.00 0.00 -1.17 -4.80 105.19 103.74 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 -0.01 1.14 -0.25 4.61 0.00 -1.05 -3.85 120.51 121.10 1cey n ALA 103 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1cey n ALA 103 Cb 0.18 -0.80 0.33 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.28 0.08 -4.60 0.00 7.64 -1.26 -3.81 113.62 111.38 1cey n SER 104 Ca 0.00 0.61 -0.34 0.00 1.01 0.00 0.00 58.87 60.14 1cey n SER 104 Cb 0.00 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 62.80 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 -3.54 1.86 -0.15 0.23 0.00 0.22 -4.95 107.32 100.99 1cey s GLY 105 Ca -0.03 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 1cey s GLY 105 CO 0.39 -0.01 0.04 -0.47 0.00 0.00 0.00 173.10 173.06 1cey s TYR 106 N 0.30 0.68 -0.13 1.90 5.04 -1.25 -1.17 117.35 122.72 1cey s TYR 106 Ca 0.02 -0.51 0.01 0.00 -2.44 0.00 0.00 57.07 54.14 1cey s TYR 106 Cb -0.13 -0.86 -0.01 0.00 0.35 0.00 0.00 41.96 41.31 1cey s TYR 106 CO 0.01 -0.50 -0.15 0.54 -1.34 0.00 0.00 175.55 174.11 1cey s VAL 107 N 1.97 2.83 -0.57 3.14 0.11 -0.83 -4.98 120.40 122.07 1cey s VAL 107 Ca 0.01 -0.74 -0.21 0.00 -2.93 0.00 0.00 61.98 58.12 1cey s VAL 107 Cb -0.16 -2.18 0.07 0.00 -1.53 0.00 0.00 36.38 32.59 1cey s VAL 107 CO -0.07 0.53 0.78 0.54 -3.33 0.00 0.00 175.10 173.55 1cey s VAL 108 N 0.45 4.64 0.70 2.04 0.11 -1.26 -2.72 120.40 124.36 1cey s VAL 108 Ca -0.11 -0.42 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 1cey s VAL 108 Cb -0.16 -4.48 0.02 0.00 -1.53 0.00 0.00 36.38 30.23 1cey s VAL 108 CO 0.05 -1.09 1.15 -1.59 -3.33 0.00 0.00 175.10 170.29 1cey s LYS 109 N 3.23 2.45 0.67 1.54 0.00 0.54 -4.44 119.74 123.74 1cey s LYS 109 Ca 0.19 1.55 -0.12 0.00 0.00 0.00 0.00 55.97 57.59 1cey s LYS 109 Cb -0.18 -1.89 -0.01 0.00 0.00 0.00 0.00 37.83 35.75 1cey s LYS 109 CO 0.12 -1.55 1.06 -1.25 0.00 0.00 0.00 175.35 173.72 1cey s PRO 110 N -4.05 3.07 0.07 1.78 0.05 -1.26 -4.48 135.00 130.18 1cey s PRO 110 Ca 0.70 0.99 0.02 0.00 0.05 0.00 0.00 61.00 62.76 1cey s PRO 110 Cb -0.24 -2.01 -0.03 0.00 0.05 0.00 0.00 34.50 32.27 1cey s PRO 110 CO 0.44 -0.99 -0.07 -0.59 0.05 0.00 0.00 177.00 175.83 1cey s PHE 111 N -2.93 0.75 0.13 0.56 -0.12 -1.26 -5.08 117.98 110.03 1cey s PHE 111 Ca 0.59 -0.70 -0.11 0.00 -0.05 0.00 0.00 56.93 56.66 1cey s PHE 111 Cb -0.14 -0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 41.74 1cey s PHE 111 CO 0.51 -0.13 0.47 0.99 -0.05 0.00 0.00 175.22 177.01 1cey s THR 112 N -2.44 5.00 0.32 -4.49 2.01 -1.26 -4.77 115.64 110.01 1cey s THR 112 Ca -0.00 0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.63 1cey s THR 112 Cb -0.03 -3.67 0.31 0.00 0.01 0.00 0.00 72.50 69.13 1cey s THR 112 CO -0.02 0.19 1.71 0.00 -0.69 0.00 0.00 174.62 175.81 1cey h ALA 113 N 3.39 1.77 -0.21 7.40 0.00 -1.98 2.42 119.26 132.04 1cey h ALA 113 Ca -0.48 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1cey h ALA 113 Cb 1.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1cey h ALA 113 CO 0.67 -0.34 -0.29 0.00 0.00 0.00 0.00 179.25 179.29 1cey h ALA 114 N 1.75 1.11 0.17 0.00 0.00 -1.98 0.13 119.26 120.44 1cey h ALA 114 Ca 0.65 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1cey h ALA 114 Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 114 CO -0.51 0.56 -0.08 1.15 0.00 0.00 0.00 179.25 180.37 1cey h THR 115 N 0.37 0.00 -0.97 0.00 2.02 0.34 0.15 112.91 114.82 1cey h THR 115 Ca 0.05 -0.12 0.26 0.00 0.77 0.00 0.00 66.41 67.36 1cey h THR 115 Cb 0.70 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.93 1cey h THR 115 CO 0.05 0.00 0.00 0.25 0.37 0.00 0.00 175.52 176.19 1cey h LEU 116 N -0.35 -0.51 0.29 2.58 6.46 0.33 0.29 115.31 124.40 1cey h LEU 116 Ca -0.02 0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1cey h LEU 116 Cb 0.18 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 1cey h LEU 116 CO 0.04 -0.34 -0.26 -0.08 -0.62 0.00 0.00 178.44 177.18 1cey h GLU 117 N 0.02 -0.55 -1.21 1.25 4.81 -0.65 -1.37 114.58 116.87 1cey h GLU 117 Ca 0.57 0.04 0.35 0.00 -0.13 0.00 0.00 59.36 60.19 1cey h GLU 117 Cb 1.14 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1cey h GLU 117 CO -0.91 -0.37 0.87 1.05 -0.73 0.00 0.00 179.01 178.93 1cey h GLU 118 N -0.57 0.01 -0.02 1.92 4.11 0.25 0.12 114.58 120.40 1cey h GLU 118 Ca -0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1cey h GLU 118 Cb 0.52 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1cey h GLU 118 CO -0.04 0.00 -0.04 -0.22 0.07 0.00 0.00 179.01 178.78 1cey h LYS 119 N 0.01 0.06 -0.37 1.06 1.63 -0.65 -3.27 116.57 115.03 1cey h LYS 119 Ca 0.58 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.41 1cey h LYS 119 Cb 2.31 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 33.86 1cey h LYS 119 CO -0.01 0.65 -0.34 -0.07 -3.45 0.00 0.00 179.45 176.23 1cey h LEU 120 N -0.53 -1.13 -1.58 5.20 3.38 -0.40 0.66 115.31 120.92 1cey h LEU 120 Ca -0.00 0.19 0.19 0.00 0.09 0.00 0.00 57.88 58.35 1cey h LEU 120 Cb 0.65 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1cey h LEU 120 CO 0.01 -0.33 0.77 0.78 0.09 0.00 0.00 178.44 179.75 1cey h ASN 121 N -0.28 0.00 0.85 -0.43 4.21 -1.55 1.57 115.58 119.95 1cey h ASN 121 Ca 0.16 0.00 -0.19 0.00 1.21 0.00 0.00 56.30 57.48 1cey h ASN 121 Cb 0.55 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.72 1cey h ASN 121 CO -0.52 0.00 -1.24 0.50 -1.29 0.00 0.00 177.43 174.87 1cey h LYS 122 N 0.00 0.00 0.10 0.81 1.63 0.24 -3.07 116.57 116.28 1cey h LYS 122 Ca 0.31 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.83 1cey h LYS 122 Cb 1.83 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.46 1cey h LYS 122 CO -0.00 0.47 -1.31 0.82 -3.45 0.00 0.00 179.45 175.98 1cey h ILE 123 N 0.00 1.41 -0.00 2.00 1.08 0.32 -3.29 117.51 119.03 1cey h ILE 123 Ca -0.14 -3.03 0.00 0.00 -0.39 0.00 0.00 64.86 61.30 1cey h ILE 123 Cb 1.66 2.87 0.00 0.00 -3.07 0.00 0.00 36.82 38.28 1cey h ILE 123 CO 0.07 0.87 -0.28 0.49 -0.69 0.00 0.00 178.15 178.61 1cey n PHE 124 N -3.47 0.00 0.38 1.37 3.72 0.48 -2.10 117.46 117.84 1cey n PHE 124 Ca -0.10 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.44 1cey n PHE 124 Cb 1.02 -0.29 0.42 0.00 -0.94 0.00 0.00 39.48 39.69 1cey n PHE 124 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1cey h GLU 125 N 0.21 0.00 0.00 -1.08 5.08 -1.60 0.46 114.58 117.65 1cey h GLU 125 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1cey h GLU 125 Cb 0.48 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.66 1cey h GLU 125 CO 0.00 0.00 -2.30 1.17 -1.00 0.00 0.00 179.01 176.88 1cey n LYS 126 N -2.70 0.90 0.09 2.33 4.81 -1.17 -4.26 118.16 118.16 1cey n LYS 126 Ca 0.03 -0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.42 1cey n LYS 126 Cb 0.39 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.94 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1cey h LEU 127 N 0.00 0.00 -2.53 3.14 6.46 -1.23 -3.49 115.31 117.66 1cey h LEU 127 Ca -0.51 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 1cey h LEU 127 Cb 2.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.09 1cey h LEU 127 CO 0.02 0.86 -0.16 0.61 -0.62 0.00 0.00 178.44 179.15 1cey n GLY 128 N 0.94 -1.03 0.57 3.75 0.00 0.16 -5.05 105.19 104.52 1cey n GLY 128 Ca -0.00 0.53 0.14 0.00 0.00 0.00 0.00 46.02 46.68 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35