#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 -0.82 -0.71 0.00 -0.08 -1.26 -4.83 116.55 108.85 1cey n ASP 3 Ca 0.00 0.93 0.07 0.00 -1.51 0.00 0.00 54.79 54.27 1cey n ASP 3 Cb 0.00 -1.11 0.18 0.00 2.34 0.00 0.00 41.12 42.53 1cey n ASP 3 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1cey n LYS 4 N 0.63 1.90 -2.71 -0.67 4.81 -1.26 -4.17 118.16 116.68 1cey n LYS 4 Ca 0.12 -1.39 -0.06 0.00 -0.87 0.00 0.00 58.31 56.11 1cey n LYS 4 Cb 0.39 -1.31 0.05 0.00 0.02 0.00 0.00 35.03 34.18 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cey n GLU 5 N 0.63 1.32 -2.53 1.64 0.28 -1.26 -3.73 120.64 116.99 1cey n GLU 5 Ca 0.13 -3.02 -0.43 0.00 -0.16 0.00 0.00 57.16 53.68 1cey n GLU 5 Cb 0.33 -1.09 -0.02 0.00 1.43 0.00 0.00 31.44 32.09 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 -3.37 3.73 0.08 -1.84 2.96 -1.26 -4.91 118.68 114.07 1cey s LEU 6 Ca 0.25 0.79 -0.31 0.00 -0.22 0.00 0.00 54.13 54.65 1cey s LEU 6 Cb 0.41 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.46 1cey s LEU 6 CO -0.01 -1.18 1.85 -0.54 -1.32 0.00 0.00 176.35 175.16 1cey s LYS 7 N 4.32 4.14 0.13 1.98 1.02 -1.26 -4.79 119.74 125.29 1cey s LYS 7 Ca 0.51 2.56 0.06 0.00 0.02 0.00 0.00 55.97 59.13 1cey s LYS 7 Cb -0.11 -3.79 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1cey s LYS 7 CO 0.27 -0.87 0.01 -0.06 -0.92 0.00 0.00 175.35 173.77 1cey s PHE 8 N 3.33 2.94 -0.28 3.18 0.40 -1.00 -0.58 117.98 125.97 1cey s PHE 8 Ca 0.82 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 57.11 1cey s PHE 8 Cb -0.44 -1.47 0.08 0.00 0.51 0.00 0.00 43.02 41.69 1cey s PHE 8 CO 0.37 0.49 -0.03 -1.17 0.70 0.00 0.00 175.22 175.58 1cey s LEU 9 N -2.60 3.63 -0.54 -0.37 2.96 -0.70 -1.63 118.68 119.43 1cey s LEU 9 Ca 0.27 -1.62 -0.22 0.00 -0.22 0.00 0.00 54.13 52.34 1cey s LEU 9 Cb -0.11 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.18 1cey s LEU 9 CO 0.19 -0.27 0.81 -0.69 -1.32 0.00 0.00 176.35 175.06 1cey s VAL 10 N 1.13 4.59 -0.46 1.68 1.01 -1.00 -1.58 120.40 125.77 1cey s VAL 10 Ca -0.01 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1cey s VAL 10 Cb -0.19 -4.45 0.09 0.00 0.00 0.00 0.00 36.38 31.84 1cey s VAL 10 CO -0.07 -1.00 0.33 -0.69 0.00 0.00 0.00 175.10 173.67 1cey s VAL 11 N 3.39 4.52 -0.03 2.92 1.01 -1.00 -2.37 120.40 128.85 1cey s VAL 11 Ca 0.23 -1.45 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 1cey s VAL 11 Cb -0.16 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1cey s VAL 11 CO 0.16 -0.63 0.30 -0.62 0.00 0.00 0.00 175.10 174.30 1cey s ASP 12 N 2.52 -0.19 0.18 3.32 2.15 -1.25 -2.28 116.67 121.12 1cey s ASP 12 Ca 0.04 0.13 0.25 0.00 0.43 0.00 0.00 52.55 53.40 1cey s ASP 12 Cb -0.25 0.35 0.47 0.00 -0.30 0.00 0.00 42.92 43.19 1cey s ASP 12 CO 0.02 -0.40 1.47 -0.78 -0.17 0.00 0.00 175.17 175.32 1cey h ASP 13 N 4.14 0.00 -1.72 -0.34 1.82 -1.86 -3.42 116.42 115.04 1cey h ASP 13 Ca -0.29 -0.11 -0.44 0.00 -0.39 0.00 0.00 57.03 55.80 1cey h ASP 13 Cb 1.18 0.00 0.23 0.00 0.68 0.00 0.00 39.33 41.42 1cey h ASP 13 CO 0.39 0.05 -1.65 0.33 -1.61 0.00 0.00 179.24 176.76 1cey n PHE 14 N -2.29 -1.43 -0.06 0.28 7.35 -1.26 -4.91 117.46 115.14 1cey n PHE 14 Ca 0.04 0.35 0.02 0.00 -0.76 0.00 0.00 57.45 57.10 1cey n PHE 14 Cb 0.45 -1.47 0.05 0.00 0.35 0.00 0.00 39.48 38.86 1cey n PHE 14 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1cey n SER 15 N 0.50 2.30 0.00 -2.13 3.41 -1.26 -4.72 113.62 111.72 1cey n SER 15 Ca -0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1cey n SER 15 Cb 0.64 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1cey n THR 16 N -0.18 0.00 -0.22 6.66 5.66 -1.26 -4.92 114.28 120.02 1cey n THR 16 Ca 0.04 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.06 1cey n THR 16 Cb 0.31 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.21 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 0.14 -1.04 1.09 -1.53 -1.97 0.45 114.93 112.06 1cey h MET 17 Ca 0.00 -0.01 0.27 0.00 -3.44 0.00 0.00 59.70 56.52 1cey h MET 17 Cb 0.00 -0.03 -0.10 0.00 -0.55 0.00 0.00 31.60 30.92 1cey h MET 17 CO 0.00 0.09 0.66 0.07 0.14 0.00 0.00 176.91 177.87 1cey h ARG 18 N 0.14 0.41 -0.01 0.39 -0.00 -1.91 0.69 114.38 114.09 1cey h ARG 18 Ca 0.35 -0.02 -0.15 0.00 -0.00 0.00 0.00 59.98 60.15 1cey h ARG 18 Cb 0.58 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.97 30.44 1cey h ARG 18 CO -0.55 0.27 -0.70 -0.09 -0.00 0.00 0.00 179.97 178.90 1cey h ARG 19 N 0.43 0.06 0.34 0.08 9.65 -0.50 -2.55 114.38 121.88 1cey h ARG 19 Ca 0.61 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.43 1cey h ARG 19 Cb 1.48 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.07 1cey h ARG 19 CO -0.34 0.74 -0.16 0.82 2.80 0.00 0.00 179.97 183.83 1cey h ILE 20 N 0.04 0.61 -0.32 1.20 2.04 0.91 -3.05 117.51 118.94 1cey h ILE 20 Ca -0.01 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.26 1cey h ILE 20 Cb 1.25 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 1cey h ILE 20 CO 0.10 0.11 0.22 -0.37 0.00 0.00 0.00 178.15 178.20 1cey h VAL 21 N -0.83 1.00 -0.48 1.67 -1.51 -1.36 -2.15 116.25 112.59 1cey h VAL 21 Ca -0.05 -0.10 0.10 0.00 -1.23 0.00 0.00 66.70 65.42 1cey h VAL 21 Cb 0.52 0.67 -0.10 0.00 -2.13 0.00 0.00 31.29 30.26 1cey h VAL 21 CO 0.08 0.06 -0.24 0.03 -1.23 0.00 0.00 177.57 176.26 1cey h ARG 22 N 0.30 -0.13 0.62 5.19 3.08 -1.34 0.33 114.38 122.44 1cey h ARG 22 Ca 0.13 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1cey h ARG 22 Cb 0.15 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1cey h ARG 22 CO -0.03 -0.09 -0.30 -0.97 -1.07 0.00 0.00 179.97 177.52 1cey h ASN 23 N -0.13 -0.71 -1.21 7.04 -1.24 -1.43 -1.22 115.58 116.67 1cey h ASN 23 Ca 0.22 -0.01 0.41 0.00 0.71 0.00 0.00 56.30 57.63 1cey h ASN 23 Cb 0.48 0.18 -0.14 0.00 0.73 0.00 0.00 38.32 39.57 1cey h ASN 23 CO -0.56 -0.33 0.75 0.25 -1.29 0.00 0.00 177.43 176.25 1cey h LEU 24 N -1.14 0.30 -0.07 0.34 6.46 -0.96 1.44 115.31 121.69 1cey h LEU 24 Ca -0.09 0.17 -0.17 0.00 -0.12 0.00 0.00 57.88 57.67 1cey h LEU 24 Cb 0.68 0.15 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1cey h LEU 24 CO 0.14 -0.22 -0.63 -0.07 -0.62 0.00 0.00 178.44 177.04 1cey h LEU 25 N 0.11 0.67 -1.59 2.25 3.38 -0.17 -3.05 115.31 116.90 1cey h LEU 25 Ca 0.81 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1cey h LEU 25 Cb 2.37 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.90 1cey h LEU 25 CO -0.51 1.25 0.13 0.50 0.09 0.00 0.00 178.44 179.90 1cey h LYS 26 N 0.14 0.40 -0.31 1.13 3.64 0.30 -1.00 116.57 120.86 1cey h LYS 26 Ca -0.06 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1cey h LYS 26 Cb 1.29 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1cey h LYS 26 CO 0.13 0.32 -0.10 1.49 -2.27 0.00 0.00 179.45 179.02 1cey h GLU 27 N 0.40 -0.03 -0.02 1.90 4.81 -0.05 -2.15 114.58 119.44 1cey h GLU 27 Ca 0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1cey h GLU 27 Cb 0.06 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1cey h GLU 27 CO -0.01 -0.02 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.17 1cey h LEU 28 N -0.03 0.03 0.00 1.64 -0.00 -1.42 -3.47 115.31 112.05 1cey h LEU 28 Ca 0.15 -0.40 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1cey h LEU 28 Cb 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1cey h LEU 28 CO -0.33 0.43 0.00 0.61 -0.00 0.00 0.00 178.44 179.14 1cey n GLY 29 N -0.01 -0.07 3.26 0.83 0.00 -0.44 -5.03 105.19 103.73 1cey n GLY 29 Ca -0.08 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 -0.17 -0.02 1.61 0.08 -1.12 -4.27 117.98 114.09 1cey s PHE 30 Ca 0.00 0.17 0.13 0.00 0.12 0.00 0.00 56.93 57.35 1cey s PHE 30 Cb 0.00 0.11 0.22 0.00 -0.57 0.00 0.00 43.02 42.78 1cey s PHE 30 CO 0.00 -0.45 1.10 -1.71 -0.10 0.00 0.00 175.22 174.05 1cey n ASN 31 N 0.94 -0.02 -3.47 1.36 5.15 -1.24 -4.01 115.26 113.96 1cey n ASN 31 Ca -0.20 -2.01 -0.18 0.00 -0.60 0.00 0.00 54.58 51.60 1cey n ASN 31 Cb 0.58 0.01 -0.12 0.00 -0.53 0.00 0.00 39.78 39.72 1cey n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1cey s ASN 32 N -1.54 1.38 0.36 1.20 4.22 -1.26 -5.11 114.94 114.20 1cey s ASN 32 Ca 0.17 -0.28 -0.04 0.00 -2.14 0.00 0.00 52.86 50.57 1cey s ASN 32 Cb 0.20 0.43 0.01 0.00 1.28 0.00 0.00 41.25 43.18 1cey s ASN 32 CO -0.08 -0.33 0.54 0.68 -2.04 0.00 0.00 177.10 175.86 1cey s VAL 33 N 2.34 0.00 0.00 3.54 -7.23 -1.26 -2.37 120.40 115.42 1cey s VAL 33 Ca 0.08 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1cey s VAL 33 Cb -0.16 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1cey s VAL 33 CO -0.15 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.02 1cey n GLU 34 N -0.58 0.29 -3.75 4.82 1.02 -0.64 -4.93 120.64 116.86 1cey n GLU 34 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1cey n GLU 34 Cb 0.61 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.95 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1cey s GLU 35 N -1.41 0.69 0.00 3.49 2.12 -1.26 -2.37 118.70 119.96 1cey s GLU 35 Ca 0.00 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1cey s GLU 35 Cb 0.00 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1cey s GLU 35 CO 0.00 -0.19 0.00 0.00 -0.54 0.00 0.00 175.26 174.53 1cey n ALA 36 N 1.21 0.00 -0.14 6.30 0.00 -1.00 -4.95 120.51 121.93 1cey n ALA 36 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1cey n ALA 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 37 N 0.00 2.50 0.00 0.00 1.02 -1.26 -3.94 120.64 118.96 1cey n GLU 37 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1cey n GLU 37 Cb 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 1cey n GLU 37 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1cey n ASP 38 N -0.39 0.00 0.22 1.62 8.00 -1.26 -4.43 116.55 120.31 1cey n ASP 38 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 1cey n ASP 38 Cb 0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.05 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1cey h GLY 39 N 0.00 -0.94 0.30 0.44 0.00 -1.94 0.44 103.07 101.37 1cey h GLY 39 Ca 0.00 0.47 0.20 0.00 0.00 0.00 0.00 47.33 48.00 1cey h GLY 39 CO 0.00 -0.31 0.60 -0.24 0.00 0.00 0.00 176.54 176.59 1cey h VAL 40 N -0.79 0.68 -0.31 4.60 3.04 -1.95 0.37 116.25 121.88 1cey h VAL 40 Ca -0.02 -0.15 -0.13 0.00 -1.01 0.00 0.00 66.70 65.38 1cey h VAL 40 Cb 0.72 0.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 1cey h VAL 40 CO -0.09 0.08 -0.32 -0.78 -1.01 0.00 0.00 177.57 175.45 1cey h ASP 41 N 0.44 0.82 -0.56 3.17 1.82 -1.51 -2.58 116.42 118.02 1cey h ASP 41 Ca 0.48 -0.47 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1cey h ASP 41 Cb 1.14 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.90 1cey h ASP 41 CO -0.19 1.13 -0.05 0.00 -1.61 0.00 0.00 179.24 178.51 1cey h ALA 42 N 0.72 0.76 -0.50 -0.78 0.00 0.33 -2.51 119.26 117.29 1cey h ALA 42 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1cey h ALA 42 Cb 0.90 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1cey h ALA 42 CO 0.08 0.64 0.23 1.25 0.00 0.00 0.00 179.25 181.45 1cey h LEU 43 N 0.91 0.62 -0.56 0.00 5.85 -0.38 0.88 115.31 122.62 1cey h LEU 43 Ca 0.15 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1cey h LEU 43 Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1cey h LEU 43 CO 0.04 0.53 -0.60 0.78 -0.34 0.00 0.00 178.44 178.85 1cey h ASN 44 N 0.69 0.44 0.68 1.25 -0.26 -1.18 -3.23 115.58 113.98 1cey h ASN 44 Ca 0.17 -0.25 -0.19 0.00 -0.56 0.00 0.00 56.30 55.48 1cey h ASN 44 Cb 0.08 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.18 1cey h ASN 44 CO -0.02 0.94 -1.45 0.11 -1.06 0.00 0.00 177.43 175.95 1cey h LYS 45 N 0.29 0.00 -0.61 0.81 1.57 -0.98 -3.33 116.57 114.32 1cey h LYS 45 Ca -0.00 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 1cey h LYS 45 Cb 1.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1cey h LYS 45 CO 0.10 0.33 0.43 -0.07 -0.57 0.00 0.00 179.45 179.66 1cey h LEU 46 N 0.00 0.17 -1.95 2.94 -0.00 0.76 0.25 115.31 117.48 1cey h LEU 46 Ca -0.18 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 57.75 1cey h LEU 46 Cb 1.65 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.28 1cey h LEU 46 CO 0.05 0.09 0.39 1.56 -0.00 0.00 0.00 178.44 180.53 1cey h GLN 47 N 0.18 0.00 -0.45 1.13 4.20 -1.68 -2.21 115.11 116.28 1cey h GLN 47 Ca 0.29 0.00 0.06 0.00 0.06 0.00 0.00 58.65 59.06 1cey h GLN 47 Cb 0.91 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.61 1cey h GLN 47 CO -0.05 0.00 -0.54 0.00 -0.67 0.00 0.00 178.83 177.57 1cey h ALA 48 N 1.37 -0.71 -0.49 3.87 0.00 -0.76 -3.46 119.26 119.07 1cey h ALA 48 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cey h ALA 48 Cb 0.85 1.11 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1cey h ALA 48 CO -0.00 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.64 1cey n GLY 49 N -1.38 0.61 1.00 0.00 0.00 -0.83 -5.01 105.19 99.57 1cey n GLY 49 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.24 -0.09 3.53 -0.02 0.00 -1.26 -5.02 105.19 102.08 1cey n GLY 50 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N -2.00 0.66 1.16 1.61 4.01 -1.26 -4.42 117.16 116.93 1cey n TYR 51 Ca 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1cey n TYR 51 Cb 0.00 -1.76 0.00 0.00 -0.31 0.00 0.00 39.34 37.27 1cey n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cey n GLY 52 N 6.17 0.35 3.56 2.72 0.00 0.26 -4.70 105.19 113.55 1cey n GLY 52 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 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 -1.43 -0.37 -0.22 1.61 5.36 -0.58 -4.09 117.98 118.26 1cey s PHE 53 Ca 0.00 0.55 -0.03 0.00 -0.96 0.00 0.00 56.93 56.48 1cey s PHE 53 Cb 0.00 0.47 0.10 0.00 -0.34 0.00 0.00 43.02 43.25 1cey s PHE 53 CO 0.00 -0.39 0.24 0.08 -1.46 0.00 0.00 175.22 173.68 1cey s VAL 54 N -1.59 -0.34 -0.94 3.12 1.01 -0.94 -1.72 120.40 119.01 1cey s VAL 54 Ca -0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 1cey s VAL 54 Cb -0.01 -0.75 0.14 0.00 0.00 0.00 0.00 36.38 35.77 1cey s VAL 54 CO -0.00 -0.27 1.11 -0.63 0.00 0.00 0.00 175.10 175.31 1cey s ILE 55 N 2.33 4.84 0.26 2.22 1.01 -0.62 -1.82 121.20 129.42 1cey s ILE 55 Ca 0.08 -1.75 0.07 0.00 0.00 0.00 0.00 60.65 59.04 1cey s ILE 55 Cb -0.15 -4.76 -0.03 0.00 0.01 0.00 0.00 42.46 37.52 1cey s ILE 55 CO -0.17 -1.47 0.23 -0.94 0.00 0.00 0.00 174.94 172.59 1cey s SER 56 N 3.42 5.60 0.00 3.58 1.04 -1.17 -2.37 113.70 123.80 1cey s SER 56 Ca 0.32 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1cey s SER 56 Cb -0.05 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.65 1cey s SER 56 CO -0.09 -0.07 0.00 -0.90 0.98 0.00 0.00 173.24 173.16 1cey n ASP 57 N -1.23 0.00 0.00 7.02 5.75 -0.96 -1.20 116.55 125.93 1cey n ASP 57 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1cey n ASP 57 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1cey n TRP 58 N 0.00 0.00 -2.90 2.11 -0.00 -1.25 -3.08 117.44 112.32 1cey n TRP 58 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1cey n TRP 58 Cb 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 31.31 31.31 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 0.00 -5.88 -0.29 5.87 3.02 -1.26 -4.54 115.26 112.17 1cey n ASN 59 Ca 0.00 1.04 0.06 0.00 -0.03 0.00 0.00 54.58 55.65 1cey n ASN 59 Cb 0.09 -2.18 0.09 0.00 -0.61 0.00 0.00 39.78 37.17 1cey n ASN 59 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1cey n MET 60 N 2.36 0.82 0.23 3.52 1.56 -1.26 -3.94 117.12 120.40 1cey n MET 60 Ca -0.07 -2.06 -0.09 0.00 -0.27 0.00 0.00 57.70 55.21 1cey n MET 60 Cb 0.10 -1.12 -0.05 0.00 2.15 0.00 0.00 33.22 34.31 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 1cey h PRO 61 N 0.09 -0.57 0.00 2.12 0.13 -1.95 -3.49 132.00 128.33 1cey h PRO 61 Ca -0.01 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1cey h PRO 61 Cb 1.17 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1cey h PRO 61 CO 0.00 -0.38 0.00 0.09 -0.23 0.00 0.00 178.00 177.48 1cey n ASN 62 N -3.69 2.04 -4.56 1.44 3.02 -1.26 -5.02 115.26 107.24 1cey n ASN 62 Ca -0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.34 1cey n ASN 62 Cb 0.24 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.33 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1cey n MET 63 N 0.00 0.48 -0.81 3.52 2.81 -1.26 -4.72 117.12 117.14 1cey n MET 63 Ca 0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 1cey n MET 63 Cb 0.00 -3.70 0.00 0.00 -0.71 0.00 0.00 33.22 28.81 1cey n MET 63 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1cey n ASP 64 N 18.77 0.00 0.00 7.83 8.00 -1.26 -4.91 116.55 144.98 1cey n ASP 64 Ca 0.46 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1cey n ASP 64 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 65 N 0.00 0.24 0.05 0.44 0.00 -1.25 -3.71 105.19 100.96 1cey n GLY 65 Ca 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.16 0.00 0.99 7.12 -1.85 0.19 115.31 121.60 1cey h LEU 66 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1cey h LEU 66 Cb 0.00 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1cey h LEU 66 CO 0.00 -0.05 0.00 1.21 -0.13 0.00 0.00 178.44 179.47 1cey n GLU 67 N -2.77 0.00 0.02 1.25 2.13 -1.24 -2.28 120.64 117.75 1cey n GLU 67 Ca -0.01 0.45 -0.12 0.00 0.66 0.00 0.00 57.16 58.14 1cey n GLU 67 Cb 0.04 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.16 1cey n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1cey h LEU 68 N 0.00 -0.10 -0.10 4.31 5.85 -0.86 -2.82 115.31 121.59 1cey h LEU 68 Ca 0.00 -0.46 -0.14 0.00 0.84 0.00 0.00 57.88 58.12 1cey h LEU 68 Cb 0.03 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1cey h LEU 68 CO 0.00 0.45 -0.65 0.17 -0.34 0.00 0.00 178.44 178.07 1cey h LEU 69 N -0.70 0.00 1.00 2.25 8.10 -1.04 -3.19 115.31 121.73 1cey h LEU 69 Ca -0.01 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.93 1cey h LEU 69 Cb 0.55 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.78 1cey h LEU 69 CO 0.02 0.65 -0.49 0.50 -4.11 0.00 0.00 178.44 175.01 1cey h LYS 70 N 0.00 -1.30 -0.48 0.17 3.64 -1.51 -1.00 116.57 116.09 1cey h LYS 70 Ca -0.01 0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1cey h LYS 70 Cb 1.46 0.30 -0.02 0.00 -0.41 0.00 0.00 32.23 33.55 1cey h LYS 70 CO 0.08 -0.87 0.33 1.15 -2.27 0.00 0.00 179.45 177.88 1cey h THR 71 N -1.35 0.84 0.00 1.00 2.02 -1.61 0.30 112.91 114.11 1cey h THR 71 Ca -0.14 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1cey h THR 71 Cb 1.04 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1cey h THR 71 CO 0.22 0.03 -0.11 0.40 0.37 0.00 0.00 175.52 176.43 1cey h ILE 72 N 0.16 0.25 0.02 3.11 2.04 -1.42 -2.44 117.51 119.23 1cey h ILE 72 Ca 0.22 -0.88 -0.30 0.00 1.00 0.00 0.00 64.86 64.90 1cey h ILE 72 Cb 0.68 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 1cey h ILE 72 CO -0.03 0.11 -1.74 -2.11 0.00 0.00 0.00 178.15 174.37 1cey n ARG 73 N -3.22 0.65 0.20 2.37 1.85 0.93 -4.38 116.66 115.07 1cey n ARG 73 Ca 0.01 0.30 -0.09 0.00 -1.00 0.00 0.00 57.85 57.07 1cey n ARG 73 Cb 0.40 -1.79 -0.04 0.00 -1.05 0.00 0.00 32.46 29.98 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1cey h ALA 74 N 0.86 -0.59 0.00 2.89 0.00 -1.09 -3.40 119.26 117.93 1cey h ALA 74 Ca -0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1cey h ALA 74 Cb 2.01 0.22 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1cey h ALA 74 CO 0.08 -0.55 0.00 -0.40 0.00 0.00 0.00 179.25 178.38 1cey n ASP 75 N -5.04 0.00 0.00 0.00 5.75 -0.93 -4.63 116.55 111.71 1cey n ASP 75 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1cey n ASP 75 Cb 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cey n GLY 76 N 0.00 0.35 0.00 6.12 0.00 -1.26 -4.94 105.19 105.45 1cey n GLY 76 Ca 0.00 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 0.00 0.00 -0.24 4.61 0.00 -1.26 -4.99 120.51 118.62 1cey n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -4.21 0.00 2.81 -1.26 -4.95 117.12 109.50 1cey n MET 78 Ca 0.00 0.06 -0.33 0.00 -1.81 0.00 0.00 57.70 55.62 1cey n MET 78 Cb 0.07 -0.46 -0.05 0.00 -0.71 0.00 0.00 33.22 32.07 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -2.16 -1.25 0.01 7.83 2.88 -1.26 -4.67 113.62 115.01 1cey n SER 79 Ca 0.00 -1.10 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 1cey n SER 79 Cb 0.00 -2.42 0.00 0.00 -0.75 0.00 0.00 64.21 61.04 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 -4.39 1.49 -0.56 -1.46 0.00 -1.26 -5.04 120.51 109.29 1cey n ALA 80 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 80 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N -2.57 -0.32 -4.71 0.00 4.77 -1.26 -4.74 117.00 108.17 1cey n LEU 81 Ca 0.00 -0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 1cey n LEU 81 Cb 0.00 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1cey n LEU 81 CO 0.00 -0.44 1.33 -2.84 -1.33 0.00 0.00 177.39 174.11 1cey s PRO 82 N 2.85 4.17 -0.31 3.23 0.02 -1.26 -4.89 135.00 138.81 1cey s PRO 82 Ca 0.49 2.46 -0.06 0.00 0.02 0.00 0.00 61.00 63.91 1cey s PRO 82 Cb -0.37 -3.33 0.02 0.00 0.02 0.00 0.00 34.50 30.84 1cey s PRO 82 CO 0.20 -0.72 0.08 0.08 -0.33 0.00 0.00 177.00 176.32 1cey s VAL 83 N 1.82 3.85 -0.49 3.83 1.01 -1.26 -2.21 120.40 126.95 1cey s VAL 83 Ca 0.74 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1cey s VAL 83 Cb -0.45 -3.05 0.05 0.00 0.00 0.00 0.00 36.38 32.93 1cey s VAL 83 CO 0.33 -0.00 0.64 -0.22 0.00 0.00 0.00 175.10 175.85 1cey s LEU 84 N 1.46 4.79 -0.64 3.92 1.98 -0.76 -2.27 118.68 127.16 1cey s LEU 84 Ca 0.01 -0.73 -0.26 0.00 -2.89 0.00 0.00 54.13 50.26 1cey s LEU 84 Cb -0.18 -2.53 0.04 0.00 0.66 0.00 0.00 46.19 44.18 1cey s LEU 84 CO 0.02 -0.88 1.15 -0.32 -1.89 0.00 0.00 176.35 174.44 1cey s MET 85 N 2.75 3.32 0.05 1.98 -2.45 -0.96 -3.05 119.30 120.95 1cey s MET 85 Ca 0.18 -0.14 -0.02 0.00 -1.25 0.00 0.00 55.69 54.45 1cey s MET 85 Cb -0.17 -4.10 -0.04 0.00 1.25 0.00 0.00 34.83 31.76 1cey s MET 85 CO 0.14 -1.82 0.24 0.14 1.05 0.00 0.00 175.02 174.77 1cey s VAL 86 N 4.94 5.35 0.11 10.11 -7.23 -0.34 -2.66 120.40 130.68 1cey s VAL 86 Ca 0.35 -0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.22 1cey s VAL 86 Cb -0.10 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.26 1cey s VAL 86 CO 0.19 0.20 0.29 0.28 -0.31 0.00 0.00 175.10 175.75 1cey s THR 87 N -1.46 0.11 -0.11 5.32 -1.32 -0.97 -3.91 115.64 113.29 1cey s THR 87 Ca 0.33 -0.90 -0.21 0.00 -1.21 0.00 0.00 61.69 59.70 1cey s THR 87 Cb -0.13 -1.26 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1cey s THR 87 CO 0.23 -0.49 0.59 0.00 -2.21 0.00 0.00 174.62 172.74 1cey s ALA 88 N -3.84 3.43 -0.62 11.08 0.00 -1.26 0.58 121.76 131.14 1cey s ALA 88 Ca 0.04 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1cey s ALA 88 Cb 0.03 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1cey s ALA 88 CO -0.11 -0.12 0.64 0.39 0.00 0.00 0.00 175.76 176.55 1cey n GLU 89 N 3.92 -1.78 -1.72 0.00 1.02 -1.25 -4.67 120.64 116.16 1cey n GLU 89 Ca -0.04 1.42 -0.60 0.00 -0.02 0.00 0.00 57.16 57.92 1cey n GLU 89 Cb 0.51 -3.84 -0.08 0.00 -0.02 0.00 0.00 31.44 28.02 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey n ALA 90 N -1.28 -0.45 -0.78 0.62 0.00 -1.26 -4.89 120.51 112.46 1cey n ALA 90 Ca -0.09 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1cey n ALA 90 Cb 0.59 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 5.06 0.00 0.00 0.00 4.81 -1.26 -5.03 118.16 121.74 1cey n LYS 91 Ca 0.27 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1cey n LYS 91 Cb 0.09 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.25 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cey n LYS 92 N -0.83 0.00 0.02 1.64 4.81 -1.26 -4.95 118.16 117.59 1cey n LYS 92 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1cey n LYS 92 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cey h GLU 93 N 0.00 0.48 -0.83 1.64 4.39 -1.98 -2.90 114.58 115.37 1cey h GLU 93 Ca 0.00 -0.24 0.17 0.00 0.34 0.00 0.00 59.36 59.62 1cey h GLU 93 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 1cey h GLU 93 CO 0.00 0.81 0.55 -0.91 -1.16 0.00 0.00 179.01 178.30 1cey h ASN 94 N 0.40 0.45 0.36 1.42 2.35 -1.97 1.36 115.58 119.95 1cey h ASN 94 Ca 0.03 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1cey h ASN 94 Cb 0.90 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1cey h ASN 94 CO 0.08 0.22 -0.17 0.40 -1.65 0.00 0.00 177.43 176.30 1cey h ILE 95 N 0.47 0.61 0.00 2.81 2.04 -1.90 -2.50 117.51 119.03 1cey h ILE 95 Ca 0.42 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1cey h ILE 95 Cb 0.93 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1cey h ILE 95 CO -0.16 0.09 0.00 -0.38 0.00 0.00 0.00 178.15 177.70 1cey n ILE 96 N -5.18 0.84 0.13 -0.67 5.41 -0.58 -2.17 119.36 117.13 1cey n ILE 96 Ca -0.10 0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.79 1cey n ILE 96 Cb 0.27 -1.20 -0.08 0.00 -0.71 0.00 0.00 39.64 37.92 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 2.24 -0.35 -0.17 -1.39 0.00 0.22 1.09 119.26 120.90 1cey h ALA 97 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1cey h ALA 97 Cb 0.34 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1cey h ALA 97 CO 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 179.25 178.65 1cey h ALA 98 N -0.16 0.25 0.00 0.00 0.00 -1.40 -2.77 119.26 115.19 1cey h ALA 98 Ca -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1cey h ALA 98 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1cey h ALA 98 CO 0.06 0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.22 1cey h ALA 99 N 0.67 1.46 -0.85 0.00 0.00 -1.47 -0.37 119.26 118.72 1cey h ALA 99 Ca 0.04 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1cey h ALA 99 Cb 0.59 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1cey h ALA 99 CO 0.03 0.20 0.58 1.96 0.00 0.00 0.00 179.25 182.03 1cey h GLN 100 N 0.00 0.21 0.00 0.00 1.08 0.15 2.76 115.11 119.32 1cey h GLN 100 Ca -0.00 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.09 1cey h GLN 100 Cb 0.35 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1cey h GLN 100 CO 0.02 0.14 -1.04 0.00 -0.95 0.00 0.00 178.83 177.00 1cey h ALA 101 N 1.61 0.63 -4.29 3.87 0.00 -1.18 -3.49 119.26 116.41 1cey h ALA 101 Ca 0.42 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 101 Cb 1.32 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1cey h ALA 101 CO -0.10 0.50 -0.20 0.41 0.00 0.00 0.00 179.25 179.87 1cey n GLY 102 N 1.28 -0.98 0.00 0.00 0.00 0.93 -4.95 105.19 101.46 1cey n GLY 102 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.69 0.00 -0.11 4.61 0.00 -1.26 -4.95 120.51 118.11 1cey n ALA 103 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 103 Cb 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 1.88 0.00 0.00 7.64 -0.96 -4.80 113.62 117.38 1cey n SER 104 Ca 0.00 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1cey n SER 104 Cb 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 1.42 -0.75 3.01 0.23 0.00 -1.25 -5.00 105.19 102.85 1cey n GLY 105 Ca -0.36 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 0.21 -0.04 1.61 6.14 -1.26 -2.26 117.35 118.76 1cey s TYR 106 Ca 0.00 -0.44 -0.01 0.00 0.64 0.00 0.00 57.07 57.26 1cey s TYR 106 Cb 0.00 -0.16 0.03 0.00 0.42 0.00 0.00 41.96 42.25 1cey s TYR 106 CO 0.00 -0.21 0.06 0.54 0.64 0.00 0.00 175.55 176.58 1cey s VAL 107 N -1.46 -0.09 -0.31 3.14 0.11 -1.09 -4.97 120.40 115.73 1cey s VAL 107 Ca -0.16 0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 1cey s VAL 107 Cb -0.09 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1cey s VAL 107 CO -0.00 0.12 1.48 0.54 -3.33 0.00 0.00 175.10 173.90 1cey s VAL 108 N 1.53 3.88 0.53 2.04 0.11 -1.26 -2.30 120.40 124.92 1cey s VAL 108 Ca -0.04 0.96 -0.05 0.00 -2.93 0.00 0.00 61.98 59.92 1cey s VAL 108 Cb -0.12 -3.98 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 1cey s VAL 108 CO -0.04 -0.48 0.83 -1.59 -3.33 0.00 0.00 175.10 170.49 1cey s LYS 109 N 4.66 3.22 -0.07 1.54 -2.85 0.20 -3.86 119.74 122.58 1cey s LYS 109 Ca 0.65 0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 55.37 1cey s LYS 109 Cb -0.19 -2.34 -0.04 0.00 -2.06 0.00 0.00 37.83 33.20 1cey s LYS 109 CO 0.28 -0.43 1.31 -1.25 0.10 0.00 0.00 175.35 175.36 1cey s PRO 110 N -4.84 4.29 0.31 1.78 0.05 -1.26 -3.89 135.00 131.43 1cey s PRO 110 Ca 0.50 1.79 -0.03 0.00 0.05 0.00 0.00 61.00 63.31 1cey s PRO 110 Cb -0.10 -3.65 -0.05 0.00 0.05 0.00 0.00 34.50 30.75 1cey s PRO 110 CO 0.44 -0.59 0.55 -0.59 0.05 0.00 0.00 177.00 176.87 1cey s PHE 111 N 2.76 3.49 0.18 0.56 -0.12 -1.25 -5.08 117.98 118.53 1cey s PHE 111 Ca 0.59 0.55 -0.12 0.00 -0.05 0.00 0.00 56.93 57.90 1cey s PHE 111 Cb -0.26 -2.04 -0.07 0.00 -0.63 0.00 0.00 43.02 40.02 1cey s PHE 111 CO 0.22 0.15 0.54 0.99 -0.05 0.00 0.00 175.22 177.07 1cey s THR 112 N -2.16 4.90 0.60 -4.49 2.01 -1.26 -4.84 115.64 110.40 1cey s THR 112 Ca 0.43 0.64 0.28 0.00 0.31 0.00 0.00 61.69 63.35 1cey s THR 112 Cb -0.10 -3.67 0.39 0.00 0.01 0.00 0.00 72.50 69.12 1cey s THR 112 CO 0.32 0.09 1.65 0.00 -0.69 0.00 0.00 174.62 175.99 1cey h ALA 113 N 3.08 2.51 -0.42 7.40 0.00 -1.98 1.61 119.26 131.46 1cey h ALA 113 Ca -0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1cey h ALA 113 Cb 1.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1cey h ALA 113 CO 0.67 -1.17 -0.33 0.00 0.00 0.00 0.00 179.25 178.42 1cey h ALA 114 N 1.07 0.61 0.22 0.00 0.00 -1.98 0.28 119.26 119.46 1cey h ALA 114 Ca 0.34 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1cey h ALA 114 Cb 1.94 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1cey h ALA 114 CO -0.00 0.68 -0.11 1.79 0.00 0.00 0.00 179.25 181.61 1cey h THR 115 N 0.80 0.00 -1.02 0.00 1.35 0.20 -1.78 112.91 112.46 1cey h THR 115 Ca 0.08 -0.14 0.25 0.00 -0.55 0.00 0.00 66.41 66.05 1cey h THR 115 Cb 0.92 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.26 1cey h THR 115 CO 0.09 0.00 0.66 0.25 -0.25 0.00 0.00 175.52 176.27 1cey h LEU 116 N -0.44 0.44 0.59 3.87 5.85 -1.48 -1.93 115.31 122.21 1cey h LEU 116 Ca -0.03 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1cey h LEU 116 Cb 0.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1cey h LEU 116 CO 0.05 0.11 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.79 1cey h GLU 117 N 0.40 -0.88 -0.34 1.25 4.81 -0.32 0.23 114.58 119.72 1cey h GLU 117 Ca 0.57 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.90 1cey h GLU 117 Cb 1.45 0.20 -0.07 0.00 0.63 0.00 0.00 28.75 30.95 1cey h GLU 117 CO -0.27 -0.59 -0.50 0.93 -0.73 0.00 0.00 179.01 177.86 1cey h GLU 118 N -0.91 -0.36 -0.72 1.92 5.08 -0.54 0.87 114.58 119.91 1cey h GLU 118 Ca -0.08 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.52 1cey h GLU 118 Cb 0.74 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1cey h GLU 118 CO 0.07 -0.24 0.61 0.87 -1.00 0.00 0.00 179.01 179.32 1cey h LYS 119 N -0.37 0.00 0.19 2.33 1.57 -1.41 0.35 116.57 119.22 1cey h LYS 119 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1cey h LYS 119 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1cey h LYS 119 CO -0.52 0.00 -0.09 1.25 -0.57 0.00 0.00 179.45 179.52 1cey h LEU 120 N 0.00 -0.21 -2.14 2.94 7.12 0.29 0.56 115.31 123.87 1cey h LEU 120 Ca 0.34 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.38 1cey h LEU 120 Cb 1.56 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1cey h LEU 120 CO -0.00 -0.11 0.04 0.78 -0.13 0.00 0.00 178.44 179.02 1cey h ASN 121 N -0.32 0.00 1.39 1.25 4.21 -0.85 -0.02 115.58 121.24 1cey h ASN 121 Ca -0.03 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.42 1cey h ASN 121 Cb 0.19 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 1cey h ASN 121 CO 0.04 0.00 -0.33 0.11 -1.29 0.00 0.00 177.43 175.97 1cey h LYS 122 N 0.00 0.00 0.10 0.81 1.57 -0.91 -3.16 116.57 114.98 1cey h LYS 122 Ca 0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.47 1cey h LYS 122 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1cey h LYS 122 CO -0.00 0.33 -1.82 -0.89 -0.57 0.00 0.00 179.45 176.49 1cey n ILE 123 N -3.26 1.73 0.29 1.86 5.41 0.18 -3.97 119.36 121.61 1cey n ILE 123 Ca 0.02 -0.51 0.12 0.00 1.00 0.00 0.00 62.75 63.37 1cey n ILE 123 Cb 0.60 -1.81 0.55 0.00 -0.71 0.00 0.00 39.64 38.26 1cey n ILE 123 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1cey n PHE 124 N -3.71 0.81 0.19 1.39 3.01 -0.23 -1.36 117.46 117.55 1cey n PHE 124 Ca -0.32 0.36 0.06 0.00 1.01 0.00 0.00 57.45 58.56 1cey n PHE 124 Cb 0.96 -1.08 0.54 0.00 -0.01 0.00 0.00 39.48 39.89 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1cey h GLU 125 N 0.00 0.11 0.00 -1.08 4.57 -1.67 0.12 114.58 116.63 1cey h GLU 125 Ca 0.00 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 1cey h GLU 125 Cb 0.20 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1cey h GLU 125 CO 0.00 0.15 -1.05 -0.22 -1.18 0.00 0.00 179.01 176.71 1cey h LYS 126 N 0.11 0.00 0.00 1.92 1.63 -1.44 -3.20 116.57 115.59 1cey h LYS 126 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1cey h LYS 126 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1cey h LYS 126 CO 0.00 0.49 0.00 1.25 -3.45 0.00 0.00 179.45 177.74 1cey h LEU 127 N 0.00 0.00 -2.75 5.20 5.85 -0.83 -3.47 115.31 119.31 1cey h LEU 127 Ca -0.09 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1cey h LEU 127 Cb 1.58 0.00 0.08 0.00 0.37 0.00 0.00 40.66 42.69 1cey h LEU 127 CO 0.07 0.00 -0.35 0.61 -0.34 0.00 0.00 178.44 178.43 1cey n GLY 128 N 0.40 -0.05 0.00 3.75 0.00 0.20 -5.08 105.19 104.41 1cey n GLY 128 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35