#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 -8.75 -1.17 0.00 -0.08 -1.26 -4.68 116.55 100.62 1cey n ASP 3 Ca 0.00 1.27 0.04 0.00 -1.51 0.00 0.00 54.79 54.58 1cey n ASP 3 Cb 0.00 -4.70 0.20 0.00 2.34 0.00 0.00 41.12 38.96 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1cey n LYS 4 N 1.03 2.90 -2.72 -0.67 5.02 -1.26 -3.91 118.16 118.54 1cey n LYS 4 Ca 0.00 -1.58 -0.04 0.00 -2.02 0.00 0.00 58.31 54.67 1cey n LYS 4 Cb 0.00 -1.84 0.04 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.34 1.91 -2.45 1.97 -0.58 -1.26 -3.48 120.64 117.08 1cey n GLU 5 Ca 0.14 -3.57 -0.42 0.00 -0.42 0.00 0.00 57.16 52.88 1cey n GLU 5 Cb 0.70 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1cey s LEU 6 N -3.71 4.33 -0.12 -4.62 2.96 -1.25 -4.91 118.68 111.36 1cey s LEU 6 Ca 0.30 1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 1cey s LEU 6 Cb 0.35 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1cey s LEU 6 CO -0.02 -0.51 1.19 -0.54 -1.32 0.00 0.00 176.35 175.14 1cey s LYS 7 N 1.61 4.30 0.14 1.98 3.01 -1.26 -4.63 119.74 124.90 1cey s LYS 7 Ca 0.57 1.60 0.06 0.00 -1.01 0.00 0.00 55.97 57.20 1cey s LYS 7 Cb -0.27 -3.64 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1cey s LYS 7 CO 0.26 -0.55 0.00 -0.06 0.51 0.00 0.00 175.35 175.51 1cey s PHE 8 N 2.78 2.90 -0.28 3.18 0.40 -1.04 -1.75 117.98 124.17 1cey s PHE 8 Ca 0.53 -0.10 0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1cey s PHE 8 Cb -0.22 -1.44 0.06 0.00 0.51 0.00 0.00 43.02 41.93 1cey s PHE 8 CO 0.17 0.50 -0.05 -1.17 0.70 0.00 0.00 175.22 175.37 1cey s LEU 9 N -2.70 3.74 -0.25 -0.37 2.96 -0.88 -0.86 118.68 120.32 1cey s LEU 9 Ca 0.27 -1.38 -0.17 0.00 -0.22 0.00 0.00 54.13 52.63 1cey s LEU 9 Cb -0.10 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1cey s LEU 9 CO 0.18 -0.24 0.45 -0.69 -1.32 0.00 0.00 176.35 174.74 1cey s VAL 10 N 1.17 5.12 -0.15 1.68 1.01 -1.08 -1.66 120.40 126.49 1cey s VAL 10 Ca -0.06 0.76 0.14 0.00 0.00 0.00 0.00 61.98 62.82 1cey s VAL 10 Cb -0.20 -3.77 0.37 0.00 0.00 0.00 0.00 36.38 32.78 1cey s VAL 10 CO -0.03 0.14 1.19 0.52 0.00 0.00 0.00 175.10 176.91 1cey n VAL 11 N 4.98 1.75 -0.60 2.92 0.31 -1.05 -1.34 118.33 125.31 1cey n VAL 11 Ca -0.06 -2.57 -0.28 0.00 -0.01 0.00 0.00 64.34 61.42 1cey n VAL 11 Cb 0.50 -0.05 0.17 0.00 -0.91 0.00 0.00 33.84 33.55 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 -0.94 -2.71 -0.11 4.52 8.00 -1.26 -4.49 116.55 119.56 1cey n ASP 12 Ca 0.16 -0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.19 1cey n ASP 12 Cb 0.73 -0.89 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1cey n ASP 12 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cey n ASP 13 N -1.77 1.90 -4.53 -2.24 8.00 -1.26 -4.64 116.55 112.01 1cey n ASP 13 Ca 0.03 0.41 -0.45 0.00 0.71 0.00 0.00 54.79 55.49 1cey n ASP 13 Cb 0.54 -0.86 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 1cey n ASP 13 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1cey n PHE 14 N -4.40 0.65 0.71 1.24 3.72 -1.26 -4.81 117.46 113.32 1cey n PHE 14 Ca -0.33 0.77 0.04 0.00 -0.05 0.00 0.00 57.45 57.88 1cey n PHE 14 Cb 0.66 -2.15 0.15 0.00 -0.94 0.00 0.00 39.48 37.20 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 1.44 2.15 0.00 4.37 7.64 -1.26 -3.74 113.62 124.22 1cey n SER 15 Ca 0.12 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1cey n SER 15 Cb 0.31 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.35 0.00 0.32 0.44 5.66 -1.26 -4.75 114.28 115.04 1cey n THR 16 Ca 0.11 -0.01 0.15 0.00 -3.05 0.00 0.00 64.05 61.25 1cey n THR 16 Cb 0.41 0.23 0.64 0.00 -1.55 0.00 0.00 70.33 70.06 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 0.00 -0.27 1.09 -1.53 -1.94 -2.57 114.93 109.71 1cey h MET 17 Ca 0.00 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 1cey h MET 17 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1cey h MET 17 CO 0.00 0.00 -0.24 0.00 0.14 0.00 0.00 176.91 176.81 1cey h ARG 18 N 0.00 0.52 0.00 0.39 3.08 -1.86 -2.11 114.38 114.40 1cey h ARG 18 Ca 0.00 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1cey h ARG 18 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1cey h ARG 18 CO 0.00 0.72 -0.24 0.07 -1.07 0.00 0.00 179.97 179.45 1cey h ARG 19 N 0.46 0.00 0.12 0.04 0.11 -1.80 -2.51 114.38 110.80 1cey h ARG 19 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 1cey h ARG 19 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1cey h ARG 19 CO 0.05 0.24 -0.06 0.82 0.10 0.00 0.00 179.97 181.12 1cey h ILE 20 N 0.00 1.07 -0.06 0.08 2.04 -1.45 -3.11 117.51 116.08 1cey h ILE 20 Ca -0.00 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1cey h ILE 20 Cb 0.73 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1cey h ILE 20 CO 0.03 0.23 -0.13 -0.37 0.00 0.00 0.00 178.15 177.91 1cey h VAL 21 N -0.66 1.13 -0.34 1.67 -1.51 -1.47 -2.49 116.25 112.58 1cey h VAL 21 Ca -0.02 -0.59 0.07 0.00 -1.23 0.00 0.00 66.70 64.93 1cey h VAL 21 Cb 0.50 1.24 -0.08 0.00 -2.13 0.00 0.00 31.29 30.82 1cey h VAL 21 CO 0.03 0.18 -0.31 0.03 -1.23 0.00 0.00 177.57 176.26 1cey h ARG 22 N 0.08 -0.26 0.47 5.19 2.47 -1.38 0.12 114.38 121.07 1cey h ARG 22 Ca 0.02 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1cey h ARG 22 Cb 0.29 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 1cey h ARG 22 CO 0.02 -0.17 -0.22 -0.97 0.56 0.00 0.00 179.97 179.18 1cey h ASN 23 N -0.27 -0.53 -0.96 7.04 -0.73 -1.53 -2.47 115.58 116.13 1cey h ASN 23 Ca 0.16 -0.08 0.33 0.00 1.87 0.00 0.00 56.30 58.57 1cey h ASN 23 Cb 0.53 0.14 -0.18 0.00 0.27 0.00 0.00 38.32 39.08 1cey h ASN 23 CO -0.49 -0.15 0.25 -0.11 -0.37 0.00 0.00 177.43 176.57 1cey n LEU 24 N -5.23 0.10 -0.08 0.34 0.00 -0.96 0.24 117.00 111.40 1cey n LEU 24 Ca -0.10 1.61 -0.12 0.00 0.00 0.00 0.00 56.01 57.40 1cey n LEU 24 Cb 0.30 -0.68 0.00 0.00 0.00 0.00 0.00 43.42 43.04 1cey n LEU 24 CO 0.28 -1.72 0.53 -0.07 0.00 0.00 0.00 177.39 176.42 1cey h LEU 25 N 0.00 0.90 -0.91 -1.96 3.38 -0.69 -2.93 115.31 113.11 1cey h LEU 25 Ca 0.69 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1cey h LEU 25 Cb 1.65 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1cey h LEU 25 CO -0.83 1.20 0.17 0.50 0.09 0.00 0.00 178.44 179.57 1cey h LYS 26 N 0.68 0.97 -0.95 1.13 3.11 0.35 -1.78 116.57 120.08 1cey h LYS 26 Ca 0.05 -0.21 0.23 0.00 -2.81 0.00 0.00 60.65 57.91 1cey h LYS 26 Cb 1.01 -0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 32.02 1cey h LYS 26 CO 0.10 0.85 0.63 0.93 -2.81 0.00 0.00 179.45 179.15 1cey h GLU 27 N 0.93 0.37 0.01 1.90 4.39 -0.21 -1.23 114.58 120.75 1cey h GLU 27 Ca 0.20 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1cey h GLU 27 Cb 0.31 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1cey h GLU 27 CO -0.00 0.25 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.02 1cey h LEU 28 N 0.38 -0.01 0.00 1.33 4.07 -1.36 -3.48 115.31 116.24 1cey h LEU 28 Ca 0.51 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1cey h LEU 28 Cb 1.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1cey h LEU 28 CO -0.20 0.83 0.00 0.61 -1.08 0.00 0.00 178.44 178.60 1cey n GLY 29 N 1.29 0.00 3.32 0.83 0.00 -0.46 -5.12 105.19 105.05 1cey n GLY 29 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 2.06 -0.40 1.61 0.08 -1.00 -4.17 117.98 116.16 1cey s PHE 30 Ca 0.00 -0.40 0.10 0.00 0.12 0.00 0.00 56.93 56.76 1cey s PHE 30 Cb 0.00 -1.17 0.36 0.00 -0.57 0.00 0.00 43.02 41.63 1cey s PHE 30 CO 0.00 0.20 0.98 -1.71 -0.10 0.00 0.00 175.22 174.59 1cey n ASN 31 N 1.39 -0.66 -3.15 1.36 5.15 -1.23 -3.46 115.26 114.66 1cey n ASN 31 Ca -0.18 -3.17 0.05 0.00 -0.60 0.00 0.00 54.58 50.68 1cey n ASN 31 Cb 0.53 0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 40.34 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1cey s ASN 32 N -1.91 -0.49 0.28 1.20 3.84 -1.26 -5.03 114.94 111.55 1cey s ASN 32 Ca 0.29 0.32 -0.01 0.00 0.21 0.00 0.00 52.86 53.67 1cey s ASN 32 Cb 0.35 1.42 0.01 0.00 -0.55 0.00 0.00 41.25 42.47 1cey s ASN 32 CO -0.06 -0.09 0.38 1.33 -2.79 0.00 0.00 177.10 175.87 1cey n VAL 33 N 5.46 0.00 -4.11 -5.21 0.24 -1.26 -2.49 118.33 110.96 1cey n VAL 33 Ca -0.07 -1.42 -0.05 0.00 -2.04 0.00 0.00 64.34 60.75 1cey n VAL 33 Cb 0.54 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.46 1.08 -3.83 7.34 -0.58 -0.04 -4.90 120.64 119.26 1cey n GLU 34 Ca 0.01 -0.69 -0.12 0.00 -0.42 0.00 0.00 57.16 55.93 1cey n GLU 34 Cb 0.46 0.33 -0.11 0.00 -0.57 0.00 0.00 31.44 31.56 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 -2.32 0.41 0.16 3.49 2.02 -1.26 -2.63 118.70 118.56 1cey s GLU 35 Ca 0.03 -0.08 -0.02 0.00 0.02 0.00 0.00 54.97 54.92 1cey s GLU 35 Cb 0.00 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.42 1cey s GLU 35 CO 0.02 -0.09 0.23 0.00 0.02 0.00 0.00 175.26 175.44 1cey n ALA 36 N 2.06 -0.23 -2.03 5.21 0.00 -0.45 -4.94 120.51 120.13 1cey n ALA 36 Ca -0.18 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.55 1cey n ALA 36 Cb 0.57 0.55 -0.02 0.00 0.00 0.00 0.00 19.45 20.55 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 -0.25 0.00 0.00 0.00 0.28 -1.26 -4.51 120.64 114.90 1cey n GLU 37 Ca -0.00 -0.55 0.00 0.00 -0.16 0.00 0.00 57.16 56.44 1cey n GLU 37 Cb 0.26 0.09 0.00 0.00 1.43 0.00 0.00 31.44 33.22 1cey n GLU 37 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1cey n ASP 38 N 0.03 0.00 -0.35 -1.84 2.03 -1.26 -4.92 116.55 110.24 1cey n ASP 38 Ca -0.08 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.41 1cey n ASP 38 Cb 0.63 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.42 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1cey h GLY 39 N 0.00 1.89 1.81 0.27 0.00 -1.95 1.46 103.07 106.55 1cey h GLY 39 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1cey h GLY 39 CO 0.00 -0.24 -0.07 -2.08 0.00 0.00 0.00 176.54 174.16 1cey h VAL 40 N 0.58 1.15 0.03 4.60 2.07 -1.97 0.36 116.25 123.08 1cey h VAL 40 Ca 0.64 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 1cey h VAL 40 Cb 1.23 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1cey h VAL 40 CO -0.47 0.20 -0.50 -0.78 0.02 0.00 0.00 177.57 176.04 1cey h ASP 41 N 0.24 0.39 -0.02 0.57 1.82 0.14 -2.73 116.42 116.83 1cey h ASP 41 Ca 0.05 -0.82 -0.05 0.00 -0.39 0.00 0.00 57.03 55.82 1cey h ASP 41 Cb 0.28 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1cey h ASP 41 CO 0.01 1.17 -0.12 0.00 -1.61 0.00 0.00 179.24 178.69 1cey h ALA 42 N 0.23 1.46 0.26 -0.78 0.00 -0.03 -2.61 119.26 117.79 1cey h ALA 42 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1cey h ALA 42 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 42 CO 0.10 0.38 -0.12 1.25 0.00 0.00 0.00 179.25 180.85 1cey h LEU 43 N 0.28 -0.29 -1.73 0.00 6.46 -0.30 0.65 115.31 120.38 1cey h LEU 43 Ca 0.06 0.01 0.29 0.00 -0.12 0.00 0.00 57.88 58.12 1cey h LEU 43 Cb 0.38 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 1cey h LEU 43 CO 0.02 -0.12 0.89 0.78 -0.62 0.00 0.00 178.44 179.39 1cey h ASN 44 N -0.52 0.00 0.16 1.25 2.35 -1.50 0.19 115.58 117.51 1cey h ASN 44 Ca -0.04 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.36 1cey h ASN 44 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1cey h ASN 44 CO 0.06 0.00 -1.96 0.29 -1.65 0.00 0.00 177.43 174.17 1cey n LYS 45 N -3.75 0.75 -0.29 0.81 5.02 -0.99 -4.03 118.16 115.68 1cey n LYS 45 Ca 0.21 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 1cey n LYS 45 Cb 1.22 -1.72 0.38 0.00 -0.02 0.00 0.00 35.03 34.88 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1cey h LEU 46 N 0.07 0.66 -2.14 -0.35 -0.00 0.35 0.46 115.31 114.37 1cey h LEU 46 Ca -0.41 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 57.59 1cey h LEU 46 Cb 2.04 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 42.61 1cey h LEU 46 CO 0.09 0.31 0.30 1.56 -0.00 0.00 0.00 178.44 180.70 1cey h GLN 47 N 0.69 0.00 -0.50 1.13 4.20 -1.57 -2.64 115.11 116.41 1cey h GLN 47 Ca 0.48 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.25 1cey h GLN 47 Cb 0.81 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.51 1cey h GLN 47 CO -0.24 0.00 -0.49 0.00 -0.67 0.00 0.00 178.83 177.43 1cey h ALA 48 N 1.60 -0.66 -0.30 3.87 0.00 -0.26 -3.47 119.26 120.05 1cey h ALA 48 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1cey h ALA 48 Cb 0.71 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1cey h ALA 48 CO -0.00 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.73 1cey n GLY 49 N -1.30 0.63 0.00 0.00 0.00 -1.00 -5.03 105.19 98.50 1cey n GLY 49 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.07 0.02 3.57 -0.02 0.00 -1.26 -5.04 105.19 102.38 1cey n GLY 50 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.45 1.24 -2.00 1.61 2.02 -1.26 -4.43 117.35 114.08 1cey s TYR 51 Ca 0.00 1.97 0.04 0.00 -0.37 0.00 0.00 57.07 58.71 1cey s TYR 51 Cb 0.00 -3.46 0.26 0.00 -0.40 0.00 0.00 41.96 38.36 1cey s TYR 51 CO 0.00 -1.25 0.64 0.41 -1.57 0.00 0.00 175.55 173.79 1cey n GLY 52 N 6.55 -0.35 3.50 0.71 0.00 -0.75 -4.58 105.19 110.28 1cey n GLY 52 Ca 0.44 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 -0.63 -0.08 1.61 2.19 -0.72 -3.92 117.98 114.44 1cey s PHE 53 Ca 0.07 1.27 -0.03 0.00 0.33 0.00 0.00 56.93 58.56 1cey s PHE 53 Cb 0.03 0.31 0.04 0.00 -1.31 0.00 0.00 43.02 42.09 1cey s PHE 53 CO 0.05 -0.48 0.17 0.08 1.83 0.00 0.00 175.22 176.86 1cey s VAL 54 N -0.62 -0.10 -0.36 3.12 1.01 -1.09 -2.06 120.40 120.29 1cey s VAL 54 Ca -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1cey s VAL 54 Cb -0.02 -0.28 0.09 0.00 0.00 0.00 0.00 36.38 36.17 1cey s VAL 54 CO 0.06 0.09 0.11 -0.63 0.00 0.00 0.00 175.10 174.73 1cey s ILE 55 N 1.44 3.02 0.51 2.22 1.01 -0.66 -1.46 121.20 127.28 1cey s ILE 55 Ca -0.07 -1.89 0.05 0.00 0.00 0.00 0.00 60.65 58.74 1cey s ILE 55 Cb -0.12 -2.99 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1cey s ILE 55 CO -0.06 -0.49 0.39 -1.54 0.00 0.00 0.00 174.94 173.24 1cey n SER 56 N 4.55 2.58 0.00 3.58 3.41 -1.25 -2.53 113.62 123.96 1cey n SER 56 Ca -0.05 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1cey n SER 56 Cb 0.42 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1cey n SER 56 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cey n ASP 57 N -1.87 0.00 0.11 4.04 2.03 -1.26 -1.68 116.55 117.92 1cey n ASP 57 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1cey n ASP 57 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1cey n TRP 58 N 0.00 -3.36 -3.51 -0.67 -0.00 -1.18 -3.41 117.44 105.31 1cey n TRP 58 Ca 0.00 0.74 -0.24 0.00 -0.00 0.00 0.00 57.50 58.00 1cey n TRP 58 Cb 0.00 2.09 -0.14 0.00 -0.00 0.00 0.00 31.31 33.26 1cey n TRP 58 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1cey s ASN 59 N -2.00 2.54 0.00 5.87 3.84 -1.26 -1.28 114.94 122.65 1cey s ASN 59 Ca 0.00 -0.87 0.00 0.00 0.21 0.00 0.00 52.86 52.20 1cey s ASN 59 Cb 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.69 1cey s ASN 59 CO 0.00 -0.39 0.00 0.80 -2.79 0.00 0.00 177.10 174.72 1cey n MET 60 N 5.28 0.00 0.00 0.43 1.56 -1.26 -5.03 117.12 118.10 1cey n MET 60 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.38 1cey n MET 60 Cb 0.45 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.82 1cey n MET 60 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1cey n PRO 61 N 0.00 0.47 -1.66 2.12 -0.05 -1.26 -4.85 135.00 129.78 1cey n PRO 61 Ca 0.00 0.00 -0.47 0.00 -0.05 0.00 0.00 63.50 62.98 1cey n PRO 61 Cb 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.41 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1cey n ASN 62 N -0.76 2.81 0.00 3.54 0.23 -1.26 -4.44 115.26 115.38 1cey n ASN 62 Ca 0.00 1.09 0.00 0.00 -0.53 0.00 0.00 54.58 55.14 1cey n ASN 62 Cb 0.00 -1.39 0.00 0.00 -2.08 0.00 0.00 39.78 36.31 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 3.15 0.00 -3.93 -3.83 2.81 -1.26 -4.55 117.12 109.51 1cey n MET 63 Ca 0.17 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.96 1cey n MET 63 Cb 0.27 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.68 1cey n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1cey s ASP 64 N -4.00 0.15 0.00 7.83 1.11 -1.26 -4.37 116.67 116.12 1cey s ASP 64 Ca 0.00 -0.40 0.00 0.00 0.18 0.00 0.00 52.55 52.33 1cey s ASP 64 Cb 0.00 0.17 0.00 0.00 1.07 0.00 0.00 42.92 44.16 1cey s ASP 64 CO 0.00 -0.37 0.45 0.61 1.18 0.00 0.00 175.17 177.04 1cey n GLY 65 N 1.36 -0.18 0.27 0.21 0.00 -0.41 -3.47 105.19 102.97 1cey n GLY 65 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 0.13 -0.51 -1.68 0.99 5.85 -1.95 -2.32 115.31 115.82 1cey h LEU 66 Ca 0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1cey h LEU 66 Cb 0.07 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1cey h LEU 66 CO 0.00 -0.11 0.00 -0.08 -0.34 0.00 0.00 178.44 177.91 1cey h GLU 67 N -0.99 0.00 0.68 1.25 4.57 -1.96 -1.37 114.58 116.76 1cey h GLU 67 Ca -0.06 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1cey h GLU 67 Cb 0.57 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.17 1cey h GLU 67 CO 0.10 0.00 -0.32 1.25 -1.18 0.00 0.00 179.01 178.86 1cey h LEU 68 N 0.00 -0.77 0.44 1.64 5.85 -1.67 -2.41 115.31 118.39 1cey h LEU 68 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1cey h LEU 68 Cb 0.42 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1cey h LEU 68 CO 0.00 -0.40 -0.21 0.25 -0.34 0.00 0.00 178.44 177.74 1cey h LEU 69 N -1.20 -0.50 -1.13 2.25 6.46 -1.36 -3.15 115.31 116.69 1cey h LEU 69 Ca -0.09 -0.01 0.42 0.00 -0.12 0.00 0.00 57.88 58.07 1cey h LEU 69 Cb 0.72 0.13 -0.14 0.00 -0.73 0.00 0.00 40.66 40.63 1cey h LEU 69 CO 0.15 -0.07 0.69 1.17 -0.62 0.00 0.00 178.44 179.76 1cey n LYS 70 N -5.17 -0.04 -0.16 1.25 4.81 -0.52 0.27 118.16 118.59 1cey n LYS 70 Ca -0.08 1.21 -0.09 0.00 -0.87 0.00 0.00 58.31 58.48 1cey n LYS 70 Cb 0.25 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.01 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 1.21 -0.90 3.15 2.02 -1.39 0.18 112.91 117.17 1cey h THR 71 Ca 0.80 -0.65 0.11 0.00 0.77 0.00 0.00 66.41 67.44 1cey h THR 71 Cb 2.40 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 69.50 1cey h THR 71 CO -0.55 0.24 0.58 0.40 0.37 0.00 0.00 175.52 176.56 1cey h ILE 72 N 0.61 0.93 -0.00 3.11 2.04 0.37 0.29 117.51 124.86 1cey h ILE 72 Ca 0.16 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1cey h ILE 72 Cb 0.20 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1cey h ILE 72 CO -0.01 0.15 -0.24 -1.14 0.00 0.00 0.00 178.15 176.91 1cey n ARG 73 N -4.55 0.62 0.07 2.37 0.63 -0.84 -3.68 116.66 111.28 1cey n ARG 73 Ca 0.16 -0.31 -0.01 0.00 -0.92 0.00 0.00 57.85 56.77 1cey n ARG 73 Cb 0.36 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.71 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cey h ALA 74 N 3.52 0.62 0.00 5.13 0.00 0.26 -3.30 119.26 125.49 1cey h ALA 74 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1cey h ALA 74 Cb 0.46 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1cey h ALA 74 CO 0.00 0.95 0.55 0.22 0.00 0.00 0.00 179.25 180.98 1cey h ASP 75 N 0.00 0.00 0.00 0.00 3.58 -1.49 -3.42 116.42 115.08 1cey h ASP 75 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1cey h ASP 75 Cb 1.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1cey h ASP 75 CO 0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 1cey n GLY 76 N -1.28 0.41 1.03 -0.78 0.00 -1.24 -4.59 105.19 98.74 1cey n GLY 76 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.98 2.55 -2.02 4.61 0.00 -1.26 -4.85 120.51 120.51 1cey n ALA 77 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1cey n ALA 77 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1cey n ALA 77 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1cey n MET 78 N 0.21 0.01 -1.22 0.00 2.00 -1.26 -4.90 117.12 111.97 1cey n MET 78 Ca -0.04 -1.08 -0.19 0.00 0.00 0.00 0.00 57.70 56.40 1cey n MET 78 Cb 0.87 -0.48 -0.10 0.00 0.00 0.00 0.00 33.22 33.50 1cey n MET 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1cey n SER 79 N 0.02 5.90 0.00 7.83 3.41 -1.26 -3.62 113.62 125.89 1cey n SER 79 Ca 0.01 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1cey n SER 79 Cb 0.73 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1cey n ALA 80 N 1.58 0.60 -2.61 7.33 0.00 -1.26 -5.06 120.51 121.09 1cey n ALA 80 Ca 0.44 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 80 Cb 0.71 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.08 1cey n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1cey s LEU 81 N 0.00 4.07 -0.63 0.00 2.96 -1.24 -4.98 118.68 118.86 1cey s LEU 81 Ca 0.00 0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 54.09 1cey s LEU 81 Cb 0.00 -2.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.96 1cey s LEU 81 CO 0.00 -0.29 2.42 -2.65 -1.32 0.00 0.00 176.35 174.52 1cey n PRO 82 N 5.53 0.80 -3.41 0.98 -0.01 -1.25 -4.87 135.00 132.76 1cey n PRO 82 Ca -0.05 -0.34 -0.43 0.00 -0.01 0.00 0.00 63.50 62.68 1cey n PRO 82 Cb 0.50 -3.44 -0.10 0.00 -0.01 0.00 0.00 33.50 30.45 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 12.94 5.20 -0.57 -1.45 1.01 -1.26 -2.66 120.40 133.61 1cey s VAL 83 Ca 0.98 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 1cey s VAL 83 Cb -0.20 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.31 1cey s VAL 83 CO 0.20 -0.33 0.69 -0.22 0.00 0.00 0.00 175.10 175.45 1cey s LEU 84 N 1.85 5.22 0.52 3.92 2.96 -0.53 -2.15 118.68 130.47 1cey s LEU 84 Ca 0.08 -1.26 -0.18 0.00 -0.22 0.00 0.00 54.13 52.54 1cey s LEU 84 Cb -0.18 -2.35 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 1cey s LEU 84 CO 0.11 -1.07 1.03 -0.32 -1.32 0.00 0.00 176.35 174.79 1cey s MET 85 N 2.73 3.67 0.07 1.98 -2.45 -0.16 -3.80 119.30 121.34 1cey s MET 85 Ca 0.13 1.25 0.07 0.00 -1.25 0.00 0.00 55.69 55.89 1cey s MET 85 Cb -0.22 -2.08 -0.03 0.00 1.25 0.00 0.00 34.83 33.75 1cey s MET 85 CO 0.08 -0.53 -0.20 0.08 1.05 0.00 0.00 175.02 175.51 1cey s VAL 86 N -2.23 1.60 0.12 10.11 1.01 -0.67 -2.25 120.40 128.08 1cey s VAL 86 Ca 0.65 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1cey s VAL 86 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1cey s VAL 86 CO 0.27 0.05 0.14 -0.89 0.00 0.00 0.00 175.10 174.67 1cey s THR 87 N -0.97 0.12 -0.08 3.92 2.01 -1.08 -3.09 115.64 116.46 1cey s THR 87 Ca 0.06 -1.58 -0.10 0.00 0.31 0.00 0.00 61.69 60.38 1cey s THR 87 Cb -0.09 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1cey s THR 87 CO 0.03 -0.55 -0.20 0.00 -0.69 0.00 0.00 174.62 173.21 1cey n ALA 88 N -0.09 1.26 -3.20 7.40 0.00 -1.26 -0.12 120.51 124.50 1cey n ALA 88 Ca -0.10 -0.51 -0.46 0.00 0.00 0.00 0.00 53.44 52.38 1cey n ALA 88 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.13 1cey n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1cey s GLU 89 N -2.27 3.77 0.61 0.00 2.56 -1.26 -4.71 118.70 117.40 1cey s GLU 89 Ca -0.16 -2.46 -0.10 0.00 0.00 0.00 0.00 54.97 52.25 1cey s GLU 89 Cb 0.02 -4.63 -0.03 0.00 2.00 0.00 0.00 34.13 31.50 1cey s GLU 89 CO 0.24 -1.44 0.99 0.00 -0.56 0.00 0.00 175.26 174.49 1cey s ALA 90 N 0.61 3.14 0.03 6.30 0.00 -1.26 -5.07 121.76 125.51 1cey s ALA 90 Ca 0.26 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1cey s ALA 90 Cb -0.08 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1cey s ALA 90 CO -0.08 -0.71 0.22 0.21 0.00 0.00 0.00 175.76 175.40 1cey s LYS 91 N -5.12 0.70 0.19 0.00 2.20 -1.26 -5.01 119.74 111.45 1cey s LYS 91 Ca 0.54 -0.57 -0.13 0.00 -0.36 0.00 0.00 55.97 55.46 1cey s LYS 91 Cb -0.11 0.29 0.22 0.00 -1.51 0.00 0.00 37.83 36.72 1cey s LYS 91 CO 0.51 -0.21 1.68 -0.22 -0.36 0.00 0.00 175.35 176.76 1cey h LYS 92 N 3.48 0.12 0.04 4.03 3.64 -1.98 0.97 116.57 126.87 1cey h LYS 92 Ca -0.32 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1cey h LYS 92 Cb 1.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1cey h LYS 92 CO 0.47 0.08 -0.02 0.93 -2.27 0.00 0.00 179.45 178.64 1cey h GLU 93 N 0.12 -0.05 0.00 1.90 3.07 -2.03 -3.22 114.58 114.38 1cey h GLU 93 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1cey h GLU 93 Cb 0.41 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1cey h GLU 93 CO -0.44 0.58 0.04 -1.71 -1.40 0.00 0.00 179.01 176.08 1cey n ASN 94 N -4.74 0.02 -0.08 1.42 5.15 -1.13 -0.40 115.26 115.50 1cey n ASN 94 Ca -0.08 0.47 0.13 0.00 -0.60 0.00 0.00 54.58 54.51 1cey n ASN 94 Cb 0.32 -0.47 0.46 0.00 -0.53 0.00 0.00 39.78 39.56 1cey n ASN 94 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1cey n ILE 95 N -1.49 0.00 -0.07 -1.44 5.41 0.32 -3.78 119.36 118.31 1cey n ILE 95 Ca -0.00 -0.04 -0.22 0.00 1.00 0.00 0.00 62.75 63.49 1cey n ILE 95 Cb 0.04 0.02 -0.12 0.00 -0.71 0.00 0.00 39.64 38.87 1cey n ILE 95 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1cey n ILE 96 N -1.16 1.62 0.13 1.39 -0.00 0.46 -3.67 119.36 118.13 1cey n ILE 96 Ca 0.10 -0.25 0.16 0.00 -0.00 0.00 0.00 62.75 62.76 1cey n ILE 96 Cb 0.32 -1.94 0.48 0.00 -0.00 0.00 0.00 39.64 38.50 1cey n ILE 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1cey h ALA 97 N -0.31 2.14 -0.28 -1.39 0.00 -1.65 0.31 119.26 118.08 1cey h ALA 97 Ca -0.38 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.58 1cey h ALA 97 Cb 1.56 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1cey h ALA 97 CO -0.11 -0.98 -0.22 0.00 0.00 0.00 0.00 179.25 177.95 1cey h ALA 98 N 0.79 -0.05 -0.92 0.00 0.00 -1.68 0.55 119.26 117.96 1cey h ALA 98 Ca 0.18 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1cey h ALA 98 Cb 1.74 0.47 -0.12 0.00 0.00 0.00 0.00 17.79 19.89 1cey h ALA 98 CO -0.00 -0.63 0.47 0.00 0.00 0.00 0.00 179.25 179.09 1cey h ALA 99 N 0.92 1.50 -0.11 0.00 0.00 0.49 5.36 119.26 127.41 1cey h ALA 99 Ca 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1cey h ALA 99 Cb 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1cey h ALA 99 CO -0.40 -0.25 -0.03 1.96 0.00 0.00 0.00 179.25 180.54 1cey h GLN 100 N 0.52 0.16 0.00 0.00 7.50 -0.14 -3.42 115.11 119.73 1cey h GLN 100 Ca 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.69 1cey h GLN 100 Cb 1.00 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.50 1cey h GLN 100 CO -0.47 0.20 0.00 0.00 -1.50 0.00 0.00 178.83 177.06 1cey n ALA 101 N -2.51 2.88 -1.34 3.87 0.00 0.72 -4.04 120.51 120.09 1cey n ALA 101 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 1cey n ALA 101 Cb 0.16 0.00 -0.08 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 1.99 -0.26 0.00 0.00 0.00 1.59 -4.53 105.19 103.97 1cey n GLY 102 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 12.27 0.00 -0.35 4.61 0.00 -1.08 -1.74 120.51 134.21 1cey n ALA 103 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1cey n ALA 103 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.75 -3.81 0.00 7.64 -0.91 -4.71 113.62 111.07 1cey n SER 104 Ca 0.00 1.54 -0.08 0.00 1.01 0.00 0.00 58.87 61.33 1cey n SER 104 Cb 0.00 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 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 -3.03 0.31 -0.15 0.23 0.00 -1.19 -5.00 107.32 98.49 1cey s GLY 105 Ca -0.11 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 1cey s GLY 105 CO 0.58 -0.40 0.03 -0.47 0.00 0.00 0.00 173.10 172.84 1cey s TYR 106 N -3.79 0.82 -0.28 1.90 5.04 -1.26 -0.99 117.35 118.79 1cey s TYR 106 Ca 0.18 -0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 54.18 1cey s TYR 106 Cb -0.03 -0.91 0.01 0.00 0.35 0.00 0.00 41.96 41.37 1cey s TYR 106 CO 0.09 -0.50 0.06 0.54 -1.34 0.00 0.00 175.55 174.39 1cey s VAL 107 N 1.93 3.82 -0.56 3.14 0.11 -0.95 -4.97 120.40 122.91 1cey s VAL 107 Ca 0.01 -0.71 -0.27 0.00 -2.93 0.00 0.00 61.98 58.08 1cey s VAL 107 Cb -0.15 -2.95 -0.01 0.00 -1.53 0.00 0.00 36.38 31.73 1cey s VAL 107 CO -0.07 0.12 1.75 0.54 -3.33 0.00 0.00 175.10 174.11 1cey s VAL 108 N 1.48 3.46 0.80 2.04 0.11 -1.26 -2.63 120.40 124.40 1cey s VAL 108 Ca 0.02 0.34 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1cey s VAL 108 Cb -0.17 -4.02 0.07 0.00 -1.53 0.00 0.00 36.38 30.74 1cey s VAL 108 CO 0.01 -0.91 1.11 -1.59 -3.33 0.00 0.00 175.10 170.39 1cey s LYS 109 N 6.51 1.99 0.59 1.54 -2.85 0.83 -4.43 119.74 123.90 1cey s LYS 109 Ca 0.65 1.30 -0.16 0.00 -1.00 0.00 0.00 55.97 56.76 1cey s LYS 109 Cb -0.14 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.74 1cey s LYS 109 CO 0.23 -1.87 1.06 -1.25 0.10 0.00 0.00 175.35 173.63 1cey s PRO 110 N -4.74 3.33 0.18 1.78 0.05 -1.26 -4.64 135.00 129.69 1cey s PRO 110 Ca 0.63 1.24 0.06 0.00 0.05 0.00 0.00 61.00 62.98 1cey s PRO 110 Cb -0.19 -2.03 -0.05 0.00 0.05 0.00 0.00 34.50 32.28 1cey s PRO 110 CO 0.55 -0.81 -0.10 -0.59 0.05 0.00 0.00 177.00 176.10 1cey s PHE 111 N -2.39 1.48 0.07 0.56 -0.12 -1.26 -5.10 117.98 111.22 1cey s PHE 111 Ca 0.64 -0.71 -0.03 0.00 -0.05 0.00 0.00 56.93 56.78 1cey s PHE 111 Cb -0.17 -0.74 -0.05 0.00 -0.63 0.00 0.00 43.02 41.43 1cey s PHE 111 CO 0.36 0.17 0.28 0.99 -0.05 0.00 0.00 175.22 176.96 1cey s THR 112 N -3.20 5.30 0.43 -4.49 2.01 -1.26 -4.85 115.64 109.58 1cey s THR 112 Ca 0.20 -0.11 0.24 0.00 0.31 0.00 0.00 61.69 62.33 1cey s THR 112 Cb 0.02 -3.61 0.44 0.00 0.01 0.00 0.00 72.50 69.36 1cey s THR 112 CO 0.04 0.17 1.74 0.00 -0.69 0.00 0.00 174.62 175.88 1cey h ALA 113 N 3.25 2.47 -0.33 7.40 0.00 -1.98 1.86 119.26 131.93 1cey h ALA 113 Ca -0.47 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 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 0.72 -0.93 -0.15 0.00 0.00 0.00 0.00 179.25 178.90 1cey h ALA 114 N 1.59 1.13 0.11 0.00 0.00 -1.97 0.43 119.26 120.55 1cey h ALA 114 Ca 0.65 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1cey h ALA 114 Cb 1.87 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1cey h ALA 114 CO -0.29 0.54 -0.05 1.15 0.00 0.00 0.00 179.25 180.60 1cey h THR 115 N 0.53 0.00 -1.01 0.00 2.02 0.24 0.21 112.91 114.90 1cey h THR 115 Ca 0.09 -0.11 0.27 0.00 0.77 0.00 0.00 66.41 67.43 1cey h THR 115 Cb 0.56 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.84 1cey h THR 115 CO 0.04 0.00 0.60 0.25 0.37 0.00 0.00 175.52 176.78 1cey h LEU 116 N -0.26 0.60 0.31 2.58 5.85 -1.12 0.38 115.31 123.66 1cey h LEU 116 Ca -0.01 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1cey h LEU 116 Cb 0.11 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1cey h LEU 116 CO 0.02 0.02 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.92 1cey h GLU 117 N 0.48 -0.40 -1.05 1.25 4.22 -0.10 -1.42 114.58 117.56 1cey h GLU 117 Ca 0.67 0.03 0.30 0.00 0.08 0.00 0.00 59.36 60.44 1cey h GLU 117 Cb 1.41 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.71 1cey h GLU 117 CO -0.50 -0.18 0.86 0.93 -2.18 0.00 0.00 179.01 177.94 1cey h GLU 118 N -0.55 0.00 0.00 1.92 4.39 0.16 0.15 114.58 120.66 1cey h GLU 118 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1cey h GLU 118 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1cey h GLU 118 CO 0.07 0.00 -0.02 0.87 -1.16 0.00 0.00 179.01 178.77 1cey h LYS 119 N 0.00 0.01 -0.38 2.33 1.79 -0.79 -2.71 116.57 116.81 1cey h LYS 119 Ca 0.50 -0.02 0.06 0.00 -2.18 0.00 0.00 60.65 59.01 1cey h LYS 119 Cb 2.21 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 32.82 1cey h LYS 119 CO -0.01 0.99 0.06 1.25 -1.08 0.00 0.00 179.45 180.66 1cey h LEU 120 N -0.96 -0.02 -0.26 2.94 5.85 0.24 0.08 115.31 123.18 1cey h LEU 120 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1cey h LEU 120 Cb 1.00 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1cey h LEU 120 CO 0.00 0.02 0.17 -1.13 -0.34 0.00 0.00 178.44 177.17 1cey h ASN 121 N 0.18 0.31 0.06 1.25 -0.00 -1.22 0.39 115.58 116.55 1cey h ASN 121 Ca 0.18 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.46 1cey h ASN 121 Cb 0.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 38.32 38.47 1cey h ASN 121 CO -0.25 0.23 -0.05 0.50 -0.00 0.00 0.00 177.43 177.85 1cey h LYS 122 N 0.35 0.00 0.13 6.67 3.11 -1.05 0.37 116.57 126.15 1cey h LYS 122 Ca 0.10 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.64 1cey h LYS 122 Cb -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.20 1cey h LYS 122 CO -0.02 0.05 -1.45 0.82 -2.81 0.00 0.00 179.45 176.04 1cey h ILE 123 N 0.00 1.26 -0.01 2.00 2.04 -0.00 -3.26 117.51 119.54 1cey h ILE 123 Ca -0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1cey h ILE 123 Cb 0.10 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1cey h ILE 123 CO 0.01 0.84 -0.06 0.49 0.00 0.00 0.00 178.15 179.42 1cey n PHE 124 N -3.49 0.00 0.14 1.37 3.01 0.13 -2.54 117.46 116.07 1cey n PHE 124 Ca -0.14 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.33 1cey n PHE 124 Cb 1.04 -0.08 0.12 0.00 -0.01 0.00 0.00 39.48 40.55 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 1.09 0.00 0.01 -1.08 5.08 -0.32 0.12 114.58 119.48 1cey h GLU 125 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1cey h GLU 125 Cb 0.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1cey h GLU 125 CO 0.00 0.58 -1.97 1.63 -1.00 0.00 0.00 179.01 178.25 1cey n LYS 126 N -3.42 0.66 0.16 2.33 4.76 -1.18 -3.94 118.16 117.52 1cey n LYS 126 Ca 0.00 0.19 0.02 0.00 -2.87 0.00 0.00 58.31 55.66 1cey n LYS 126 Cb 0.69 -1.69 0.24 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.01 0.00 -3.16 -0.35 5.85 -1.43 -3.48 115.31 112.75 1cey h LEU 127 Ca -0.39 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 1cey h LEU 127 Cb 2.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.12 1cey h LEU 127 CO 0.06 0.50 -1.02 0.61 -0.34 0.00 0.00 178.44 178.25 1cey n GLY 128 N 0.28 -0.71 0.48 3.75 0.00 0.41 -5.06 105.19 104.35 1cey n GLY 128 Ca -0.01 0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.51 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35