#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 0.75 -0.99 0.00 8.00 -1.26 -4.81 116.55 118.24 1cey n ASP 3 Ca 0.00 1.14 0.05 0.00 0.71 0.00 0.00 54.79 56.69 1cey n ASP 3 Cb 0.00 -1.13 0.19 0.00 -0.02 0.00 0.00 41.12 40.16 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 1.60 2.51 -2.77 -1.24 5.02 -1.26 -4.10 118.16 117.92 1cey n LYS 4 Ca 0.16 -1.50 -0.03 0.00 -2.02 0.00 0.00 58.31 54.92 1cey n LYS 4 Cb 0.22 -1.63 0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1cey n GLU 5 N 0.45 1.52 -2.86 1.97 1.02 -1.26 -3.83 120.64 117.65 1cey n GLU 5 Ca 0.14 -3.04 -0.35 0.00 -0.02 0.00 0.00 57.16 53.89 1cey n GLU 5 Cb 0.55 -1.15 -0.07 0.00 -0.02 0.00 0.00 31.44 30.75 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 -3.67 4.14 -0.09 -4.62 2.96 -1.26 -4.92 118.68 111.22 1cey s LEU 6 Ca 0.24 1.69 -0.15 0.00 -0.22 0.00 0.00 54.13 55.69 1cey s LEU 6 Cb 0.37 -4.21 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1cey s LEU 6 CO -0.04 -0.20 0.36 -0.54 -1.32 0.00 0.00 176.35 174.62 1cey s LYS 7 N -2.62 4.08 0.13 1.98 1.02 -0.50 -4.54 119.74 119.30 1cey s LYS 7 Ca 0.55 0.27 0.09 0.00 0.02 0.00 0.00 55.97 56.89 1cey s LYS 7 Cb -0.14 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1cey s LYS 7 CO 0.18 0.43 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.84 1cey s PHE 8 N -0.19 2.59 -0.28 3.18 0.40 -0.85 -1.12 117.98 121.72 1cey s PHE 8 Ca 0.21 -0.23 0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1cey s PHE 8 Cb -0.15 -1.35 0.08 0.00 0.51 0.00 0.00 43.02 42.11 1cey s PHE 8 CO 0.09 0.42 -0.02 -1.17 0.70 0.00 0.00 175.22 175.24 1cey s LEU 9 N -2.30 3.39 -0.27 -0.37 2.96 -0.70 -1.95 118.68 119.45 1cey s LEU 9 Ca 0.20 -1.56 -0.20 0.00 -0.22 0.00 0.00 54.13 52.35 1cey s LEU 9 Cb -0.10 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1cey s LEU 9 CO 0.12 -0.28 0.63 -0.69 -1.32 0.00 0.00 176.35 174.80 1cey s VAL 10 N 1.20 4.97 -0.51 1.68 1.01 -1.08 -0.30 120.40 127.38 1cey s VAL 10 Ca -0.00 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.10 1cey s VAL 10 Cb -0.19 -3.95 0.36 0.00 0.00 0.00 0.00 36.38 32.61 1cey s VAL 10 CO -0.08 -0.01 0.94 0.52 0.00 0.00 0.00 175.10 176.47 1cey n VAL 11 N 5.24 2.32 -3.73 2.92 0.31 0.04 -1.76 118.33 123.67 1cey n VAL 11 Ca -0.01 -5.18 -0.34 0.00 -0.01 0.00 0.00 64.34 58.80 1cey n VAL 11 Cb 0.49 -1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 1cey n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1cey s ASP 12 N -3.30 6.51 0.28 4.52 1.11 -1.26 -3.33 116.67 121.21 1cey s ASP 12 Ca 0.46 0.59 0.11 0.00 0.18 0.00 0.00 52.55 53.89 1cey s ASP 12 Cb 0.32 -2.10 0.39 0.00 1.07 0.00 0.00 42.92 42.61 1cey s ASP 12 CO -0.13 0.22 1.63 -2.24 1.18 0.00 0.00 175.17 175.83 1cey h ASP 13 N 3.79 0.00 -1.73 0.27 3.04 -1.91 -3.44 116.42 116.45 1cey h ASP 13 Ca -0.49 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 52.61 1cey h ASP 13 Cb 1.19 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 39.50 1cey h ASP 13 CO 0.67 0.59 0.97 0.49 -2.04 0.00 0.00 179.24 179.92 1cey n PHE 14 N -3.82 2.15 -0.83 4.15 3.72 -1.26 -4.78 117.46 116.79 1cey n PHE 14 Ca -0.01 0.34 -0.09 0.00 -0.05 0.00 0.00 57.45 57.64 1cey n PHE 14 Cb 0.59 -2.53 -0.08 0.00 -0.94 0.00 0.00 39.48 36.52 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 5.80 5.47 0.00 4.37 7.64 -1.26 -3.45 113.62 132.19 1cey n SER 15 Ca 0.25 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1cey n SER 15 Cb 0.19 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 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 1.83 0.00 -0.06 0.44 5.66 -1.26 -4.95 114.28 115.94 1cey n THR 16 Ca 0.26 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.28 1cey n THR 16 Cb 0.70 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.85 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 0.67 -0.80 1.09 -1.53 -1.95 -1.33 114.93 111.09 1cey h MET 17 Ca 0.00 -0.04 0.17 0.00 -3.44 0.00 0.00 59.70 56.38 1cey h MET 17 Cb 0.00 -0.15 -0.05 0.00 -0.55 0.00 0.00 31.60 30.85 1cey h MET 17 CO 0.00 0.45 0.53 0.00 0.14 0.00 0.00 176.91 178.03 1cey h ARG 18 N 0.69 0.40 -0.03 0.39 3.08 -1.92 0.15 114.38 117.13 1cey h ARG 18 Ca 0.19 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 1cey h ARG 18 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1cey h ARG 18 CO -0.04 0.26 -0.79 0.00 -1.07 0.00 0.00 179.97 178.33 1cey h ARG 19 N 0.41 0.29 0.09 0.04 -0.00 -1.62 -2.46 114.38 111.13 1cey h ARG 19 Ca 0.40 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.98 59.61 1cey h ARG 19 Cb 0.95 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.99 1cey h ARG 19 CO -0.13 0.94 -0.04 0.82 0.00 0.00 0.00 179.97 181.56 1cey h ILE 20 N 0.18 1.03 -0.24 2.04 2.04 -0.65 -2.91 117.51 119.00 1cey h ILE 20 Ca -0.04 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 1cey h ILE 20 Cb 1.38 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1cey h ILE 20 CO 0.13 0.11 -0.12 -0.37 0.00 0.00 0.00 178.15 177.90 1cey h VAL 21 N -0.32 1.21 -0.53 1.67 -1.51 -1.40 -2.77 116.25 112.60 1cey h VAL 21 Ca -0.01 -0.92 0.10 0.00 -1.23 0.00 0.00 66.70 64.64 1cey h VAL 21 Cb 0.27 1.15 -0.11 0.00 -2.13 0.00 0.00 31.29 30.48 1cey h VAL 21 CO 0.02 0.30 -0.32 0.03 -1.23 0.00 0.00 177.57 176.37 1cey h ARG 22 N 0.37 -0.17 0.47 5.19 3.08 -1.23 0.50 114.38 122.58 1cey h ARG 22 Ca 0.07 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1cey h ARG 22 Cb 0.44 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1cey h ARG 22 CO 0.02 -0.12 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.61 1cey h ASN 23 N -0.18 -0.53 -0.92 7.04 -1.24 -1.53 -2.75 115.58 115.47 1cey h ASN 23 Ca 0.22 -0.07 0.12 0.00 0.71 0.00 0.00 56.30 57.27 1cey h ASN 23 Cb 0.54 0.14 -0.13 0.00 0.73 0.00 0.00 38.32 39.59 1cey h ASN 23 CO -0.63 -0.22 -0.43 -0.11 -1.29 0.00 0.00 177.43 174.75 1cey n LEU 24 N -5.27 -0.75 0.05 0.34 0.00 -0.71 0.24 117.00 110.89 1cey n LEU 24 Ca -0.11 1.62 -0.11 0.00 0.00 0.00 0.00 56.01 57.41 1cey n LEU 24 Cb 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 43.42 43.37 1cey n LEU 24 CO 0.32 -1.40 0.76 -0.07 0.00 0.00 0.00 177.39 177.00 1cey h LEU 25 N 0.00 -0.46 -1.35 -1.96 3.38 -0.91 -0.22 115.31 113.79 1cey h LEU 25 Ca 0.25 0.07 0.21 0.00 0.09 0.00 0.00 57.88 58.50 1cey h LEU 25 Cb 0.48 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 1cey h LEU 25 CO -0.89 -0.22 0.62 0.50 0.09 0.00 0.00 178.44 178.54 1cey h LYS 26 N -0.26 0.50 -0.83 1.13 3.64 0.10 1.00 116.57 121.86 1cey h LYS 26 Ca 0.06 -0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 1cey h LYS 26 Cb 0.33 -0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 31.92 1cey h LYS 26 CO -0.16 0.33 0.28 1.49 -2.27 0.00 0.00 179.45 179.11 1cey h GLU 27 N 0.51 0.31 0.29 1.90 4.81 0.13 -2.55 114.58 119.99 1cey h GLU 27 Ca 0.52 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1cey h GLU 27 Cb 1.14 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1cey h GLU 27 CO -0.25 0.21 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.03 1cey h LEU 28 N 0.32 -0.33 0.00 1.64 4.07 -0.79 -3.48 115.31 116.75 1cey h LEU 28 Ca 0.50 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.47 1cey h LEU 28 Cb 0.91 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1cey h LEU 28 CO -0.54 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.44 1cey n GLY 29 N 0.59 -0.69 3.20 0.83 0.00 -0.96 -5.11 105.19 103.06 1cey n GLY 29 Ca -0.05 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 1.38 -0.43 1.61 0.08 -1.23 -4.06 117.98 115.33 1cey s PHE 30 Ca 0.00 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.68 1cey s PHE 30 Cb 0.00 -0.77 0.28 0.00 -0.57 0.00 0.00 43.02 41.97 1cey s PHE 30 CO 0.00 0.10 0.80 -1.71 -0.10 0.00 0.00 175.22 174.31 1cey n ASN 31 N 1.24 -1.13 -3.15 1.36 4.05 -1.25 -4.08 115.26 112.30 1cey n ASN 31 Ca -0.21 -3.15 0.06 0.00 0.45 0.00 0.00 54.58 51.72 1cey n ASN 31 Cb 0.54 0.64 -0.00 0.00 1.23 0.00 0.00 39.78 42.18 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 -1.61 -0.38 0.00 1.20 3.04 -1.26 -5.04 114.94 110.89 1cey s ASN 32 Ca 0.32 0.05 -0.15 0.00 0.04 0.00 0.00 52.86 53.12 1cey s ASN 32 Cb 0.25 1.24 0.02 0.00 -1.54 0.00 0.00 41.25 41.23 1cey s ASN 32 CO -0.13 -0.07 0.33 0.54 -3.04 0.00 0.00 177.10 174.73 1cey s VAL 33 N 2.96 0.06 0.00 -5.21 0.11 -1.26 -2.01 120.40 115.05 1cey s VAL 33 Ca 0.27 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1cey s VAL 33 Cb -0.02 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1cey s VAL 33 CO -0.23 -0.28 0.00 -0.62 -3.33 0.00 0.00 175.10 170.65 1cey n GLU 34 N 1.05 2.52 -3.83 1.54 -0.58 -0.82 -4.97 120.64 115.56 1cey n GLU 34 Ca -0.21 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.44 1cey n GLU 34 Cb 0.57 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.37 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 -0.76 0.82 0.00 3.49 2.02 -1.26 -2.62 118.70 120.39 1cey s GLU 35 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1cey s GLU 35 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1cey s GLU 35 CO 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 175.26 175.02 1cey n ALA 36 N 0.15 0.00 -1.12 5.21 0.00 -0.72 -4.93 120.51 119.10 1cey n ALA 36 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1cey n ALA 36 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N 0.00 0.00 0.00 0.00 0.28 -1.26 -4.44 120.64 115.21 1cey n GLU 37 Ca 0.00 -0.25 0.00 0.00 -0.16 0.00 0.00 57.16 56.75 1cey n GLU 37 Cb 0.00 -0.44 0.00 0.00 1.43 0.00 0.00 31.44 32.43 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 0.00 0.00 0.21 -1.84 5.68 -1.26 -4.90 116.55 114.44 1cey n ASP 38 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 1cey n ASP 38 Cb 0.39 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.84 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 1.11 6.12 0.00 -1.96 0.40 103.07 108.74 1cey h GLY 39 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1cey h GLY 39 CO 0.00 0.00 -0.32 -2.08 0.00 0.00 0.00 176.54 174.14 1cey h VAL 40 N 0.00 1.27 0.18 4.60 2.07 -1.98 0.72 116.25 123.11 1cey h VAL 40 Ca -0.00 -1.49 -0.30 0.00 0.82 0.00 0.00 66.70 65.72 1cey h VAL 40 Cb 0.59 1.31 0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1cey h VAL 40 CO 0.04 0.50 -1.34 -0.78 0.02 0.00 0.00 177.57 176.01 1cey h ASP 41 N 0.77 0.69 0.67 0.57 3.58 -1.82 -2.70 116.42 118.18 1cey h ASP 41 Ca 0.08 -0.71 -0.15 0.00 0.42 0.00 0.00 57.03 56.67 1cey h ASP 41 Cb 0.91 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1cey h ASP 41 CO 0.08 1.55 -0.70 0.00 -2.88 0.00 0.00 179.24 177.29 1cey h ALA 42 N 0.36 0.84 -0.26 -0.78 0.00 -0.18 -1.76 119.26 117.47 1cey h ALA 42 Ca -0.19 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 53.97 1cey h ALA 42 Cb 2.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1cey h ALA 42 CO 0.24 0.86 -0.26 1.25 0.00 0.00 0.00 179.25 181.34 1cey h LEU 43 N 0.02 0.69 -1.17 0.00 5.85 0.42 0.46 115.31 121.58 1cey h LEU 43 Ca -0.01 -0.47 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 1cey h LEU 43 Cb 1.24 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1cey h LEU 43 CO 0.09 1.02 -0.36 0.78 -0.34 0.00 0.00 178.44 179.64 1cey h ASN 44 N 0.37 0.00 0.20 1.25 2.35 -1.41 -3.19 115.58 115.15 1cey h ASN 44 Ca 0.04 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.44 1cey h ASN 44 Cb 0.83 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.19 1cey h ASN 44 CO 0.07 0.36 -1.83 0.11 -1.65 0.00 0.00 177.43 174.48 1cey h LYS 45 N 0.00 0.31 0.00 0.81 1.57 -1.11 -3.31 116.57 114.85 1cey h LYS 45 Ca -0.00 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1cey h LYS 45 Cb 0.76 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1cey h LYS 45 CO 0.05 1.22 0.58 -0.07 -0.57 0.00 0.00 179.45 180.66 1cey h LEU 46 N 0.09 0.00 -2.68 2.94 -0.00 -0.05 1.99 115.31 117.59 1cey h LEU 46 Ca -0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.44 1cey h LEU 46 Cb 2.06 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.68 1cey h LEU 46 CO 0.14 0.00 0.09 0.00 -0.00 0.00 0.00 178.44 178.67 1cey n GLN 47 N -2.14 2.95 0.16 1.13 6.02 -1.25 -4.38 117.38 119.88 1cey n GLN 47 Ca -0.01 -1.85 -0.07 0.00 -0.01 0.00 0.00 57.00 55.06 1cey n GLN 47 Cb 0.60 -1.90 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 2.77 -0.78 0.00 -1.58 0.00 0.30 -3.45 119.26 116.51 1cey h ALA 48 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 48 Cb 1.56 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1cey h ALA 48 CO 0.38 -0.75 -0.03 0.41 0.00 0.00 0.00 179.25 179.26 1cey n GLY 49 N -0.25 0.15 0.40 0.00 0.00 -1.26 -5.06 105.19 99.17 1cey n GLY 49 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -0.16 0.30 -0.02 0.00 -1.26 -4.98 105.19 99.07 1cey n GLY 50 Ca -0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1cey n GLY 50 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cey h TYR 51 N 0.00 1.09 0.00 1.61 0.05 -1.84 -3.45 116.97 114.43 1cey h TYR 51 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1cey h TYR 51 Cb 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.43 1cey h TYR 51 CO 0.00 0.87 0.00 0.41 -1.05 0.00 0.00 178.16 178.39 1cey n GLY 52 N -0.74 2.90 3.39 3.88 0.00 -1.25 -1.40 105.19 111.96 1cey n GLY 52 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.29 -0.50 -0.03 1.61 5.36 -0.27 -3.79 117.98 119.07 1cey s PHE 53 Ca 0.00 1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 57.06 1cey s PHE 53 Cb 0.00 0.21 0.03 0.00 -0.34 0.00 0.00 43.02 42.92 1cey s PHE 53 CO 0.00 -0.35 0.05 0.08 -1.46 0.00 0.00 175.22 173.54 1cey s VAL 54 N -0.30 -0.09 -0.38 3.12 1.01 -0.87 -1.72 120.40 121.18 1cey s VAL 54 Ca -0.05 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 1cey s VAL 54 Cb -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 36.38 36.30 1cey s VAL 54 CO 0.03 0.13 0.18 -0.63 0.00 0.00 0.00 175.10 174.81 1cey s ILE 55 N 1.63 3.78 0.04 2.22 1.01 0.59 -1.30 121.20 129.16 1cey s ILE 55 Ca -0.02 -1.45 0.06 0.00 0.00 0.00 0.00 60.65 59.24 1cey s ILE 55 Cb -0.12 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1cey s ILE 55 CO -0.03 -0.41 -0.19 -0.94 0.00 0.00 0.00 174.94 173.38 1cey s SER 56 N 1.77 2.21 0.00 3.58 1.04 -1.25 -0.78 113.70 120.27 1cey s SER 56 Ca 0.02 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1cey s SER 56 Cb -0.22 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1cey s SER 56 CO 0.01 0.13 0.00 0.47 0.98 0.00 0.00 173.24 174.83 1cey n ASP 57 N 1.92 0.00 -3.65 7.02 8.00 -1.21 -0.10 116.55 128.53 1cey n ASP 57 Ca -0.17 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.30 1cey n ASP 57 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.57 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1cey s TRP 58 N 0.00 -0.29 0.35 1.24 -0.11 -1.25 -3.76 118.94 115.12 1cey s TRP 58 Ca 0.00 0.63 0.00 0.00 1.22 0.00 0.00 56.10 57.95 1cey s TRP 58 Cb 0.00 0.31 0.00 0.00 -1.50 0.00 0.00 33.47 32.28 1cey s TRP 58 CO 0.00 -0.14 0.00 -1.71 -4.62 0.00 0.00 176.95 170.48 1cey n ASN 59 N 2.68 -8.88 0.00 5.86 2.85 -1.26 -4.96 115.26 111.55 1cey n ASN 59 Ca -0.15 1.24 0.00 0.00 -0.11 0.00 0.00 54.58 55.56 1cey n ASN 59 Cb 0.57 -4.57 0.00 0.00 1.24 0.00 0.00 39.78 37.01 1cey n ASN 59 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1cey n MET 60 N 0.44 0.00 0.03 1.20 2.81 -1.26 -5.00 117.12 115.34 1cey n MET 60 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1cey n MET 60 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.50 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 0.00 -0.08 0.00 0.03 0.14 -1.94 -3.48 132.00 126.67 1cey h PRO 61 Ca 0.00 0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.15 1cey h PRO 61 Cb 0.00 0.02 0.00 0.00 0.14 0.00 0.00 31.00 31.16 1cey h PRO 61 CO 0.00 -0.06 0.00 0.27 0.14 0.00 0.00 178.00 178.35 1cey n ASN 62 N -2.31 0.00 0.00 1.44 0.23 -1.26 -5.07 115.26 108.29 1cey n ASN 62 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 1cey n ASN 62 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1cey n MET 63 N -0.59 0.00 -3.83 -3.83 2.81 -1.26 -5.14 117.12 105.28 1cey n MET 63 Ca 0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1cey n MET 63 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.52 1cey n MET 63 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1cey s ASP 64 N -0.80 -0.04 0.00 7.83 1.47 -1.26 -4.76 116.67 119.12 1cey s ASP 64 Ca 0.00 -0.36 0.00 0.00 1.18 0.00 0.00 52.55 53.37 1cey s ASP 64 Cb 0.00 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.89 1cey s ASP 64 CO 0.00 -0.60 0.60 0.61 0.68 0.00 0.00 175.17 176.45 1cey n GLY 65 N -0.67 1.33 0.06 2.12 0.00 -1.26 -3.76 105.19 103.01 1cey n GLY 65 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1cey n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cey h LEU 66 N 0.89 0.00 -1.23 0.99 3.38 -1.95 -2.79 115.31 114.59 1cey h LEU 66 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1cey h LEU 66 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1cey h LEU 66 CO 0.00 0.74 0.55 -0.08 0.09 0.00 0.00 178.44 179.74 1cey h GLU 67 N -1.00 0.00 0.00 1.13 4.81 -1.99 0.04 114.58 117.57 1cey h GLU 67 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1cey h GLU 67 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1cey h GLU 67 CO -0.01 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.55 1cey n LEU 68 N -2.67 0.17 -0.06 1.64 4.77 -1.21 -2.13 117.00 117.51 1cey n LEU 68 Ca -0.01 0.54 -0.06 0.00 -0.03 0.00 0.00 56.01 56.45 1cey n LEU 68 Cb 0.58 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1cey n LEU 68 CO 0.08 -0.47 0.50 0.25 -1.33 0.00 0.00 177.39 176.42 1cey h LEU 69 N 0.00 -0.87 -0.85 2.23 6.46 -0.89 0.58 115.31 121.97 1cey h LEU 69 Ca 0.00 0.11 0.20 0.00 -0.12 0.00 0.00 57.88 58.08 1cey h LEU 69 Cb 0.00 0.35 -0.15 0.00 -0.73 0.00 0.00 40.66 40.13 1cey h LEU 69 CO 0.00 -0.19 -0.03 0.50 -0.62 0.00 0.00 178.44 178.10 1cey h LYS 70 N -0.19 0.06 0.00 1.25 3.64 -1.24 1.51 116.57 121.60 1cey h LYS 70 Ca 0.03 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1cey h LYS 70 Cb 0.28 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1cey h LYS 70 CO -0.28 0.04 -0.26 1.15 -2.27 0.00 0.00 179.45 177.83 1cey h THR 71 N 0.06 0.85 0.00 1.00 2.02 -0.48 -1.75 112.91 114.61 1cey h THR 71 Ca 0.47 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1cey h THR 71 Cb 0.86 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 1cey h THR 71 CO -0.79 0.25 0.00 -0.38 0.37 0.00 0.00 175.52 174.97 1cey n ILE 72 N -3.75 0.66 0.06 3.11 5.41 0.50 -2.96 119.36 122.40 1cey n ILE 72 Ca -0.01 -0.14 -0.03 0.00 1.00 0.00 0.00 62.75 63.57 1cey n ILE 72 Cb 0.36 -0.75 -0.07 0.00 -0.71 0.00 0.00 39.64 38.47 1cey n ILE 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1cey h ARG 73 N 0.00 0.00 -0.89 0.38 2.43 -0.17 -3.29 114.38 112.84 1cey h ARG 73 Ca 0.00 0.00 0.26 0.00 -0.81 0.00 0.00 59.98 59.43 1cey h ARG 73 Cb 0.63 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1cey h ARG 73 CO 0.00 0.58 0.65 0.00 -1.51 0.00 0.00 179.97 179.69 1cey h ALA 74 N 1.26 2.83 -1.50 2.80 0.00 -1.46 -3.41 119.26 119.79 1cey h ALA 74 Ca -0.10 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 54.10 1cey h ALA 74 Cb 1.65 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1cey h ALA 74 CO 0.08 -1.11 1.12 -0.25 0.00 0.00 0.00 179.25 179.09 1cey n ASP 75 N -4.22 2.56 0.07 0.00 8.00 -1.24 -4.81 116.55 116.91 1cey n ASP 75 Ca 0.18 0.83 -0.09 0.00 0.71 0.00 0.00 54.79 56.43 1cey n ASP 75 Cb 0.97 -1.23 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 1cey n ASP 75 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cey h GLY 76 N 9.40 0.09 0.54 0.44 0.00 -1.94 0.23 103.07 111.82 1cey h GLY 76 Ca -0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1cey h GLY 76 CO 0.98 0.19 -0.26 0.00 0.00 0.00 0.00 176.54 177.45 1cey h ALA 77 N 0.90 -1.01 0.03 3.60 0.00 -1.95 -3.38 119.26 117.45 1cey h ALA 77 Ca -0.04 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 1cey h ALA 77 Cb 1.79 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 1cey h ALA 77 CO 0.15 -0.96 -1.69 -0.12 0.00 0.00 0.00 179.25 176.63 1cey n MET 78 N -4.26 0.62 -0.68 0.00 0.00 -1.26 -4.89 117.12 106.64 1cey n MET 78 Ca -0.09 0.44 -0.03 0.00 0.00 0.00 0.00 57.70 58.02 1cey n MET 78 Cb 0.28 -1.69 -0.01 0.00 0.00 0.00 0.00 33.22 31.80 1cey n MET 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1cey n SER 79 N -4.12 -2.40 -0.44 6.12 2.88 0.80 -4.41 113.62 112.04 1cey n SER 79 Ca -0.36 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1cey n SER 79 Cb 0.81 -1.92 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N 0.27 1.88 -1.47 -1.46 0.00 -1.26 -4.80 120.51 113.67 1cey n ALA 80 Ca -0.03 -0.49 -0.58 0.00 0.00 0.00 0.00 53.44 52.35 1cey n ALA 80 Cb 0.23 -0.23 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.00 1.57 -4.73 0.00 7.94 -1.26 -4.80 117.00 115.72 1cey n LEU 81 Ca 0.00 0.75 -0.42 0.00 -1.11 0.00 0.00 56.01 55.23 1cey n LEU 81 Cb 0.59 -1.06 -0.02 0.00 0.53 0.00 0.00 43.42 43.46 1cey n LEU 81 CO 0.00 -0.69 1.25 -2.65 -1.11 0.00 0.00 177.39 174.19 1cey n PRO 82 N 6.81 2.63 -3.78 1.96 -0.02 -1.25 -4.83 135.00 136.53 1cey n PRO 82 Ca 0.42 0.94 -0.28 0.00 -2.02 0.00 0.00 63.50 62.55 1cey n PRO 82 Cb 0.07 -2.73 -0.16 0.00 -0.02 0.00 0.00 33.50 30.66 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N 0.34 0.77 -0.62 -1.45 1.01 -1.26 -2.06 120.40 117.12 1cey s VAL 83 Ca 0.68 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 1cey s VAL 83 Cb -0.52 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 34.68 1cey s VAL 83 CO 0.44 -0.24 0.88 -0.22 0.00 0.00 0.00 175.10 175.96 1cey s LEU 84 N 1.74 4.63 0.09 3.92 2.96 -0.42 -1.70 118.68 129.90 1cey s LEU 84 Ca -0.01 -1.03 -0.31 0.00 -0.22 0.00 0.00 54.13 52.56 1cey s LEU 84 Cb -0.17 -2.43 -0.08 0.00 0.50 0.00 0.00 46.19 44.01 1cey s LEU 84 CO -0.09 -1.31 1.43 -0.32 -1.32 0.00 0.00 176.35 174.73 1cey s MET 85 N 3.64 4.29 -0.10 1.98 -2.45 -0.97 -3.75 119.30 121.94 1cey s MET 85 Ca 0.20 2.10 -0.08 0.00 -1.25 0.00 0.00 55.69 56.66 1cey s MET 85 Cb -0.18 -3.34 -0.04 0.00 1.25 0.00 0.00 34.83 32.51 1cey s MET 85 CO 0.10 -0.51 0.18 0.08 1.05 0.00 0.00 175.02 175.92 1cey s VAL 86 N 1.52 5.45 -0.15 10.11 1.01 0.85 -2.23 120.40 136.96 1cey s VAL 86 Ca 0.66 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 1cey s VAL 86 Cb -0.36 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1cey s VAL 86 CO 0.30 0.60 0.36 -0.89 0.00 0.00 0.00 175.10 175.47 1cey s THR 87 N -1.05 -0.07 -0.66 3.92 2.01 -1.01 -3.83 115.64 114.94 1cey s THR 87 Ca 0.17 0.12 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 1cey s THR 87 Cb -0.13 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1cey s THR 87 CO 0.06 0.05 2.09 0.00 -0.69 0.00 0.00 174.62 176.13 1cey s ALA 88 N 1.45 1.74 0.03 7.40 0.00 -1.26 -3.06 121.76 128.06 1cey s ALA 88 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1cey s ALA 88 Cb -0.09 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1cey s ALA 88 CO -0.11 -4.49 0.00 -1.91 0.00 0.00 0.00 175.76 169.24 1cey n GLU 89 N 9.03 -1.53 -1.51 0.00 2.13 -1.26 -4.61 120.64 122.89 1cey n GLU 89 Ca 0.32 1.45 -0.29 0.00 0.66 0.00 0.00 57.16 59.31 1cey n GLU 89 Cb 0.51 -1.51 -0.16 0.00 0.27 0.00 0.00 31.44 30.55 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 0.53 0.70 0.89 4.31 0.00 -1.26 -4.64 120.51 121.04 1cey n ALA 90 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1cey n ALA 90 Cb 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 16.88 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 7.38 0.49 0.00 0.00 4.76 -1.26 -4.84 118.16 124.68 1cey n LYS 91 Ca 0.61 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1cey n LYS 91 Cb 0.19 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1cey n LYS 92 N -0.37 0.00 -0.28 1.97 5.02 -1.26 -3.67 118.16 119.57 1cey n LYS 92 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1cey n LYS 92 Cb 0.02 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.23 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 0.11 0.00 1.97 5.08 -1.97 0.61 114.58 120.38 1cey h GLU 93 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1cey h GLU 93 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1cey h GLU 93 CO 0.00 0.07 0.00 0.09 -1.00 0.00 0.00 179.01 178.17 1cey n ASN 94 N -5.34 0.00 -0.25 1.42 3.02 -1.24 -1.39 115.26 111.47 1cey n ASN 94 Ca 0.16 0.61 -0.02 0.00 -0.03 0.00 0.00 54.58 55.31 1cey n ASN 94 Cb 0.55 -0.35 0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1cey n ASN 94 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1cey h ILE 95 N 0.00 0.17 -0.47 2.41 2.10 -1.83 1.37 117.51 121.26 1cey h ILE 95 Ca 0.00 0.00 0.09 0.00 1.08 0.00 0.00 64.86 66.03 1cey h ILE 95 Cb 0.00 0.17 -0.02 0.00 -1.09 0.00 0.00 36.82 35.87 1cey h ILE 95 CO 0.00 0.00 0.32 0.40 -1.08 0.00 0.00 178.15 177.79 1cey h ILE 96 N -0.08 0.88 -0.12 2.19 2.04 0.13 0.32 117.51 122.88 1cey h ILE 96 Ca 0.30 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 66.00 1cey h ILE 96 Cb 0.56 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1cey h ILE 96 CO -0.77 0.04 -0.26 0.00 0.00 0.00 0.00 178.15 177.16 1cey h ALA 97 N 1.76 0.19 -0.06 1.87 0.00 0.29 0.34 119.26 123.66 1cey h ALA 97 Ca 0.22 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1cey h ALA 97 Cb 0.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cey h ALA 97 CO -0.04 0.18 0.01 0.00 0.00 0.00 0.00 179.25 179.41 1cey h ALA 98 N 0.52 0.08 -0.12 0.00 0.00 0.34 -2.31 119.26 117.77 1cey h ALA 98 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1cey h ALA 98 Cb 0.86 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cey h ALA 98 CO 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 179.25 179.00 1cey h ALA 99 N 0.80 1.79 -0.78 0.00 0.00 -0.45 0.34 119.26 120.95 1cey h ALA 99 Ca 0.02 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.03 1cey h ALA 99 Cb 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1cey h ALA 99 CO 0.00 0.17 0.53 0.37 0.00 0.00 0.00 179.25 180.32 1cey h GLN 100 N 0.16 0.30 0.00 0.00 5.75 -0.34 2.85 115.11 123.83 1cey h GLN 100 Ca 0.04 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1cey h GLN 100 Cb 0.12 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1cey h GLN 100 CO 0.00 0.20 -0.74 0.00 -2.65 0.00 0.00 178.83 175.64 1cey h ALA 101 N 1.64 0.70 -4.89 3.38 0.00 -0.36 -3.49 119.26 116.23 1cey h ALA 101 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cey h ALA 101 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1cey h ALA 101 CO -0.11 0.36 -0.44 0.41 0.00 0.00 0.00 179.25 179.47 1cey n GLY 102 N 1.22 -1.36 0.00 0.00 0.00 0.95 -4.97 105.19 101.03 1cey n GLY 102 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.01 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 -0.29 0.00 -0.10 4.61 0.00 -1.26 -4.97 120.51 118.50 1cey n ALA 103 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1cey n ALA 103 Cb 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 1.87 0.00 0.00 7.64 -0.69 -4.71 113.62 117.72 1cey n SER 104 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1cey n SER 104 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.44 -0.70 2.66 0.23 0.00 -1.24 -4.97 105.19 102.61 1cey n GLY 105 Ca -0.30 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 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 0.08 -0.11 1.61 5.04 -1.26 -2.29 117.35 117.41 1cey s TYR 106 Ca 0.00 0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 54.67 1cey s TYR 106 Cb 0.00 -0.54 -0.03 0.00 0.35 0.00 0.00 41.96 41.74 1cey s TYR 106 CO 0.00 -0.34 -0.01 0.54 -1.34 0.00 0.00 175.55 174.40 1cey s VAL 107 N 2.18 4.17 0.28 3.14 0.11 -0.95 -5.00 120.40 124.33 1cey s VAL 107 Ca 0.04 -0.29 -0.21 0.00 -2.93 0.00 0.00 61.98 58.59 1cey s VAL 107 Cb -0.14 -2.78 -0.09 0.00 -1.53 0.00 0.00 36.38 31.84 1cey s VAL 107 CO -0.06 0.56 0.81 0.54 -3.33 0.00 0.00 175.10 173.63 1cey s VAL 108 N -0.40 4.45 0.18 2.04 0.11 -1.26 -2.41 120.40 123.11 1cey s VAL 108 Ca 0.07 1.43 0.09 0.00 -2.93 0.00 0.00 61.98 60.65 1cey s VAL 108 Cb -0.12 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 1cey s VAL 108 CO 0.02 0.09 -0.12 -1.59 -3.33 0.00 0.00 175.10 170.18 1cey s LYS 109 N -2.22 1.99 0.10 1.54 -2.85 -1.17 -3.54 119.74 113.58 1cey s LYS 109 Ca 0.48 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.85 1cey s LYS 109 Cb -0.16 -2.12 -0.06 0.00 -2.06 0.00 0.00 37.83 33.43 1cey s LYS 109 CO 0.21 0.43 1.10 -1.25 0.10 0.00 0.00 175.35 175.94 1cey s PRO 110 N -2.79 4.53 0.20 1.78 0.05 -1.26 -4.37 135.00 133.14 1cey s PRO 110 Ca 0.24 1.66 0.05 0.00 0.05 0.00 0.00 61.00 63.00 1cey s PRO 110 Cb -0.09 -3.34 -0.03 0.00 0.05 0.00 0.00 34.50 31.08 1cey s PRO 110 CO 0.14 -0.06 0.26 -0.59 0.05 0.00 0.00 177.00 176.81 1cey s PHE 111 N 0.49 3.34 0.19 0.56 -0.12 -1.23 -5.10 117.98 116.12 1cey s PHE 111 Ca 0.53 0.01 -0.11 0.00 -0.05 0.00 0.00 56.93 57.31 1cey s PHE 111 Cb -0.27 -1.56 -0.07 0.00 -0.63 0.00 0.00 43.02 40.49 1cey s PHE 111 CO 0.31 0.49 0.53 0.99 -0.05 0.00 0.00 175.22 177.50 1cey s THR 112 N -1.89 4.93 0.60 -4.49 2.01 -1.26 -4.84 115.64 110.70 1cey s THR 112 Ca 0.33 0.54 0.28 0.00 0.31 0.00 0.00 61.69 63.16 1cey s THR 112 Cb -0.10 -3.65 0.38 0.00 0.01 0.00 0.00 72.50 69.15 1cey s THR 112 CO 0.27 0.04 1.69 0.00 -0.69 0.00 0.00 174.62 175.93 1cey h ALA 113 N 2.90 2.41 -0.06 7.40 0.00 -1.99 1.38 119.26 131.30 1cey h ALA 113 Ca -0.47 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1cey h ALA 113 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 113 CO 0.68 -1.06 -0.71 0.00 0.00 0.00 0.00 179.25 178.16 1cey h ALA 114 N 1.13 0.67 0.29 0.00 0.00 -1.97 -0.20 119.26 119.17 1cey h ALA 114 Ca 0.30 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1cey h ALA 114 Cb 1.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1cey h ALA 114 CO -0.00 0.78 -0.14 1.79 0.00 0.00 0.00 179.25 181.68 1cey h THR 115 N 0.20 0.00 -0.96 0.00 1.35 0.15 0.27 112.91 113.92 1cey h THR 115 Ca -0.02 -0.47 0.18 0.00 -0.55 0.00 0.00 66.41 65.55 1cey h THR 115 Cb 1.27 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.61 1cey h THR 115 CO 0.12 0.00 0.61 0.25 -0.25 0.00 0.00 175.52 176.24 1cey h LEU 116 N -0.86 0.65 0.13 3.87 6.46 -1.48 -0.91 115.31 123.17 1cey h LEU 116 Ca -0.04 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1cey h LEU 116 Cb 0.29 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1cey h LEU 116 CO 0.06 0.26 -0.06 -0.08 -0.62 0.00 0.00 178.44 178.01 1cey h GLU 117 N 0.65 -0.16 -0.67 1.25 4.22 -1.00 -0.61 114.58 118.25 1cey h GLU 117 Ca 0.52 0.01 0.14 0.00 0.08 0.00 0.00 59.36 60.11 1cey h GLU 117 Cb 0.95 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.12 1cey h GLU 117 CO -0.28 0.12 -0.03 1.49 -2.18 0.00 0.00 179.01 178.13 1cey h GLU 118 N -0.44 0.09 -0.72 1.92 4.57 0.86 0.49 114.58 121.34 1cey h GLU 118 Ca -0.02 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1cey h GLU 118 Cb 0.36 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1cey h GLU 118 CO 0.03 0.06 0.39 0.87 -1.18 0.00 0.00 179.01 179.18 1cey h LYS 119 N 0.09 1.01 0.92 1.92 1.79 -1.15 -1.56 116.57 119.59 1cey h LYS 119 Ca 0.35 -0.12 -0.04 0.00 -2.18 0.00 0.00 60.65 58.65 1cey h LYS 119 Cb 0.58 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1cey h LYS 119 CO -0.60 0.76 -0.49 1.25 -1.08 0.00 0.00 179.45 179.30 1cey h LEU 120 N 1.00 -1.19 -1.79 2.94 5.85 0.15 0.25 115.31 122.51 1cey h LEU 120 Ca 0.25 0.05 0.15 0.00 0.84 0.00 0.00 57.88 59.18 1cey h LEU 120 Cb 0.05 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1cey h LEU 120 CO -0.04 -0.79 0.44 0.78 -0.34 0.00 0.00 178.44 178.49 1cey h ASN 121 N -1.29 0.19 1.57 1.25 -0.26 -0.67 0.45 115.58 116.82 1cey h ASN 121 Ca -0.12 0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 55.56 1cey h ASN 121 Cb 1.01 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 1cey h ASN 121 CO 0.17 0.10 -0.33 0.11 -1.06 0.00 0.00 177.43 176.43 1cey h LYS 122 N 0.21 0.00 0.12 0.81 1.57 -0.76 -2.43 116.57 116.08 1cey h LYS 122 Ca 0.31 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.73 1cey h LYS 122 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1cey h LYS 122 CO -0.06 0.33 -1.96 0.82 -0.57 0.00 0.00 179.45 178.02 1cey h ILE 123 N 0.00 0.66 -0.10 1.86 2.04 0.30 -3.38 117.51 118.89 1cey h ILE 123 Ca -0.00 -2.38 -0.23 0.00 1.00 0.00 0.00 64.86 63.24 1cey h ILE 123 Cb 1.20 2.52 0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1cey h ILE 123 CO 0.04 0.87 -0.85 -0.26 0.00 0.00 0.00 178.15 177.95 1cey h PHE 124 N 0.07 1.02 0.00 1.37 -1.00 -0.39 -2.18 116.94 115.82 1cey h PHE 124 Ca -0.41 -0.48 0.00 0.00 2.81 0.00 0.00 57.97 59.89 1cey h PHE 124 Cb 2.04 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 41.45 1cey h PHE 124 CO 0.07 1.31 0.46 0.93 -1.61 0.00 0.00 178.31 179.47 1cey h GLU 125 N 0.48 0.00 0.00 1.51 4.39 -1.61 2.01 114.58 121.36 1cey h GLU 125 Ca -0.07 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 1cey h GLU 125 Cb 1.48 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.09 1cey h GLU 125 CO 0.17 0.00 -1.96 1.63 -1.16 0.00 0.00 179.01 177.69 1cey n LYS 126 N -2.79 0.66 0.23 2.33 4.76 -0.99 -3.96 118.16 118.39 1cey n LYS 126 Ca -0.02 0.07 0.12 0.00 -2.87 0.00 0.00 58.31 55.62 1cey n LYS 126 Cb 0.50 -1.64 0.36 0.00 -1.84 0.00 0.00 35.03 32.40 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 127 N 0.00 0.00 -2.22 -0.35 5.85 0.36 -3.48 115.31 115.47 1cey h LEU 127 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1cey h LEU 127 Cb 1.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1cey h LEU 127 CO 0.04 0.10 0.00 0.61 -0.34 0.00 0.00 178.44 178.85 1cey n GLY 128 N 0.63 -0.06 0.00 3.75 0.00 0.12 -5.07 105.19 104.57 1cey n GLY 128 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35