#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 1.89 -1.43 0.00 8.00 -1.26 -4.70 116.55 119.04 1cey n ASP 3 Ca 0.00 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.18 1cey n ASP 3 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 39.96 1cey n ASP 3 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1cey n LYS 4 N 7.17 0.65 -1.28 -1.24 2.85 -1.26 -2.46 118.16 122.59 1cey n LYS 4 Ca 0.40 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.63 1cey n LYS 4 Cb 0.14 -1.17 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1cey n GLU 5 N 1.32 0.10 -2.40 -1.58 2.13 -1.26 -3.60 120.64 115.35 1cey n GLU 5 Ca 0.00 -1.40 -0.41 0.00 0.66 0.00 0.00 57.16 56.02 1cey n GLU 5 Cb 0.33 0.28 -0.04 0.00 0.27 0.00 0.00 31.44 32.28 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1cey s LEU 6 N -0.26 4.51 -0.07 4.31 2.96 -1.03 -4.86 118.68 124.24 1cey s LEU 6 Ca 0.12 2.32 -0.28 0.00 -0.22 0.00 0.00 54.13 56.07 1cey s LEU 6 Cb 0.15 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 1cey s LEU 6 CO -0.06 -0.26 0.94 -0.54 -1.32 0.00 0.00 176.35 175.11 1cey s LYS 7 N -1.21 4.46 0.20 1.98 1.02 -1.26 -4.61 119.74 120.33 1cey s LYS 7 Ca 0.47 1.30 0.09 0.00 0.02 0.00 0.00 55.97 57.85 1cey s LYS 7 Cb -0.33 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 1cey s LYS 7 CO 0.42 -0.18 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.52 1cey s PHE 8 N 1.53 2.61 -0.23 3.18 0.40 -0.93 -0.80 117.98 123.74 1cey s PHE 8 Ca 0.47 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.57 1cey s PHE 8 Cb -0.19 -1.25 0.06 0.00 0.51 0.00 0.00 43.02 42.15 1cey s PHE 8 CO 0.21 0.54 -0.03 -1.17 0.70 0.00 0.00 175.22 175.47 1cey s LEU 9 N -3.00 2.33 -0.45 -0.37 2.96 -0.69 -1.86 118.68 117.59 1cey s LEU 9 Ca 0.26 -1.15 -0.17 0.00 -0.22 0.00 0.00 54.13 52.85 1cey s LEU 9 Cb -0.08 -1.06 0.04 0.00 0.50 0.00 0.00 46.19 45.60 1cey s LEU 9 CO 0.16 -0.26 0.46 0.68 -1.32 0.00 0.00 176.35 176.07 1cey s VAL 10 N 1.49 5.09 -0.57 1.68 -7.23 -1.06 0.12 120.40 119.92 1cey s VAL 10 Ca -0.04 -0.61 -0.17 0.00 -1.81 0.00 0.00 61.98 59.36 1cey s VAL 10 Cb -0.18 -4.12 0.13 0.00 0.56 0.00 0.00 36.38 32.77 1cey s VAL 10 CO -0.07 -0.55 0.57 -0.69 -0.31 0.00 0.00 175.10 174.05 1cey s VAL 11 N 2.08 5.12 0.23 1.32 1.01 -0.58 -2.37 120.40 127.21 1cey s VAL 11 Ca 0.10 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 60.59 1cey s VAL 11 Cb -0.20 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 1cey s VAL 11 CO 0.11 -0.95 0.35 -1.81 0.00 0.00 0.00 175.10 172.80 1cey s ASP 12 N 3.55 0.01 -0.01 3.32 1.11 -1.21 -3.79 116.67 119.65 1cey s ASP 12 Ca 0.06 -1.10 0.16 0.00 0.18 0.00 0.00 52.55 51.84 1cey s ASP 12 Cb -0.27 0.51 0.26 0.00 1.07 0.00 0.00 42.92 44.49 1cey s ASP 12 CO 0.03 -1.04 1.11 0.47 1.18 0.00 0.00 175.17 176.92 1cey n ASP 13 N -0.36 0.65 0.00 0.27 9.92 -1.26 -4.51 116.55 121.26 1cey n ASP 13 Ca -0.00 -2.06 0.00 0.00 -0.53 0.00 0.00 54.79 52.20 1cey n ASP 13 Cb 0.63 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1cey n PHE 14 N 0.24 0.00 0.00 1.24 -0.00 -1.26 -5.00 117.46 112.68 1cey n PHE 14 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1cey n PHE 14 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.44 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1cey n SER 15 N -0.46 0.00 0.00 -2.13 2.88 -1.26 -4.93 113.62 107.72 1cey n SER 15 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cey n SER 15 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1cey n THR 16 N 0.00 0.00 -0.11 2.46 5.66 -1.26 -4.84 114.28 116.19 1cey n THR 16 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 1cey n THR 16 Cb 0.00 -0.08 -0.07 0.00 -1.55 0.00 0.00 70.33 68.63 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 -0.23 -0.78 1.09 -1.53 -1.99 0.92 114.93 112.41 1cey h MET 17 Ca 0.00 0.02 0.23 0.00 -3.44 0.00 0.00 59.70 56.50 1cey h MET 17 Cb 0.12 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 31.19 1cey h MET 17 CO 0.00 -0.15 0.74 0.00 0.14 0.00 0.00 176.91 177.64 1cey h ARG 18 N -0.24 0.00 0.01 0.39 3.08 -1.96 0.91 114.38 116.57 1cey h ARG 18 Ca 0.05 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.91 1cey h ARG 18 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1cey h ARG 18 CO -0.42 0.00 -0.88 -0.09 -1.07 0.00 0.00 179.97 177.51 1cey h ARG 19 N 0.00 0.11 0.13 0.04 2.43 0.48 -1.94 114.38 115.64 1cey h ARG 19 Ca 0.37 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1cey h ARG 19 Cb 1.85 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1cey h ARG 19 CO -0.00 0.92 -0.06 0.82 -1.51 0.00 0.00 179.97 180.13 1cey h ILE 20 N 0.06 1.04 -0.43 1.20 5.03 0.24 -2.98 117.51 121.67 1cey h ILE 20 Ca -0.03 -0.72 -0.12 0.00 -0.12 0.00 0.00 64.86 63.87 1cey h ILE 20 Cb 1.52 1.48 -0.01 0.00 -3.03 0.00 0.00 36.82 36.78 1cey h ILE 20 CO 0.13 0.17 -0.21 -0.37 -0.68 0.00 0.00 178.15 177.18 1cey h VAL 21 N -0.51 1.27 -0.42 1.67 -1.51 -1.56 -1.07 116.25 114.11 1cey h VAL 21 Ca -0.02 -1.35 0.09 0.00 -1.23 0.00 0.00 66.70 64.19 1cey h VAL 21 Cb 0.41 1.17 -0.09 0.00 -2.13 0.00 0.00 31.29 30.64 1cey h VAL 21 CO 0.03 0.46 -0.25 0.03 -1.23 0.00 0.00 177.57 176.61 1cey h ARG 22 N 0.74 -0.16 0.44 5.19 3.08 -1.33 0.27 114.38 122.60 1cey h ARG 22 Ca 0.10 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1cey h ARG 22 Cb 0.75 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1cey h ARG 22 CO 0.06 -0.11 -0.21 -0.97 -1.07 0.00 0.00 179.97 177.67 1cey h ASN 23 N -0.17 -0.50 -0.99 7.04 -0.73 -1.44 -2.19 115.58 116.60 1cey h ASN 23 Ca 0.20 -0.06 0.34 0.00 1.87 0.00 0.00 56.30 58.65 1cey h ASN 23 Cb 0.48 0.13 -0.16 0.00 0.27 0.00 0.00 38.32 39.04 1cey h ASN 23 CO -0.52 -0.08 0.47 0.25 -0.37 0.00 0.00 177.43 177.18 1cey h LEU 24 N -1.07 0.29 -0.12 0.34 6.46 -0.90 0.67 115.31 120.97 1cey h LEU 24 Ca -0.06 0.23 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1cey h LEU 24 Cb 0.54 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 1cey h LEU 24 CO 0.10 -0.27 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.39 1cey h LEU 25 N 0.16 0.38 -1.19 2.25 3.38 -0.46 -3.01 115.31 116.83 1cey h LEU 25 Ca 0.74 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1cey h LEU 25 Cb 1.77 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1cey h LEU 25 CO -0.70 0.83 0.58 0.11 0.09 0.00 0.00 178.44 179.35 1cey h LYS 26 N -0.06 0.89 -0.30 1.13 1.57 0.82 0.26 116.57 120.88 1cey h LYS 26 Ca 0.01 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1cey h LYS 26 Cb 0.75 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1cey h LYS 26 CO 0.04 0.59 0.37 0.93 -0.57 0.00 0.00 179.45 180.81 1cey h GLU 27 N 0.92 0.00 0.17 3.15 4.39 -0.34 -0.17 114.58 122.70 1cey h GLU 27 Ca 0.40 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.75 1cey h GLU 27 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1cey h GLU 27 CO -0.17 0.00 -1.78 -0.07 -1.16 0.00 0.00 179.01 175.83 1cey h LEU 28 N 0.00 0.56 0.00 1.33 3.38 -0.54 -3.48 115.31 116.56 1cey h LEU 28 Ca 0.14 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1cey h LEU 28 Cb 0.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1cey h LEU 28 CO -0.00 1.77 0.00 0.61 0.09 0.00 0.00 178.44 180.91 1cey n GLY 29 N 1.87 -0.71 3.82 0.83 0.00 -0.07 -5.03 105.19 105.89 1cey n GLY 29 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.25 3.75 -0.40 1.61 0.08 -1.16 -4.31 117.98 117.30 1cey s PHE 30 Ca 0.00 1.21 0.10 0.00 0.12 0.00 0.00 56.93 58.36 1cey s PHE 30 Cb 0.00 -2.46 0.33 0.00 -0.57 0.00 0.00 43.02 40.32 1cey s PHE 30 CO 0.00 0.54 0.82 -1.71 -0.10 0.00 0.00 175.22 174.78 1cey n ASN 31 N 1.46 -0.30 -3.10 1.36 4.05 -1.26 -3.73 115.26 113.74 1cey n ASN 31 Ca -0.09 -3.19 0.04 0.00 0.45 0.00 0.00 54.58 51.80 1cey n ASN 31 Cb 0.51 0.21 -0.00 0.00 1.23 0.00 0.00 39.78 41.73 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 -1.95 -0.90 0.02 1.20 2.47 -1.26 -5.05 114.94 109.47 1cey s ASN 32 Ca 0.34 -0.02 -0.15 0.00 0.42 0.00 0.00 52.86 53.45 1cey s ASN 32 Cb 0.31 1.46 0.02 0.00 -1.45 0.00 0.00 41.25 41.59 1cey s ASN 32 CO -0.08 -0.15 0.31 0.54 -3.72 0.00 0.00 177.10 174.00 1cey s VAL 33 N 2.67 0.07 0.00 -5.21 0.11 -1.26 -2.19 120.40 114.59 1cey s VAL 33 Ca 0.19 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1cey s VAL 33 Cb -0.04 -0.81 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1cey s VAL 33 CO -0.21 -0.32 0.00 -0.62 -3.33 0.00 0.00 175.10 170.62 1cey n GLU 34 N 0.87 2.44 -3.75 1.54 -0.58 -0.78 -4.96 120.64 115.42 1cey n GLU 34 Ca -0.20 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.41 1cey n GLU 34 Cb 0.58 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.36 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1cey s GLU 35 N -1.24 0.63 0.00 3.49 2.12 -1.26 -2.58 118.70 119.86 1cey s GLU 35 Ca 0.00 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1cey s GLU 35 Cb 0.00 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1cey s GLU 35 CO 0.00 -0.16 0.00 0.00 -0.54 0.00 0.00 175.26 174.56 1cey n ALA 36 N 1.59 0.00 -0.79 6.30 0.00 -1.00 -4.96 120.51 121.66 1cey n ALA 36 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 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 -0.85 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 -3.36 120.64 116.30 1cey n GLU 37 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1cey n GLU 37 Cb 0.00 -0.39 0.00 0.00 1.43 0.00 0.00 31.44 32.48 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 0.02 -1.84 5.75 -1.26 -4.81 116.55 114.41 1cey n ASP 38 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 1cey n ASP 38 Cb 0.20 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.15 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cey h GLY 39 N 0.00 0.30 0.21 6.12 0.00 -1.97 -2.04 103.07 105.69 1cey h GLY 39 Ca 0.00 -0.77 0.21 0.00 0.00 0.00 0.00 47.33 46.77 1cey h GLY 39 CO 0.00 0.67 0.61 -2.08 0.00 0.00 0.00 176.54 175.75 1cey h VAL 40 N -0.24 0.66 0.05 4.60 2.07 -1.98 0.46 116.25 121.88 1cey h VAL 40 Ca -0.31 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1cey h VAL 40 Cb 1.81 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1cey h VAL 40 CO 0.07 0.09 -0.03 -0.78 0.02 0.00 0.00 177.57 176.95 1cey h ASP 41 N 0.48 -0.06 0.07 0.57 1.82 -1.95 -2.80 116.42 114.55 1cey h ASP 41 Ca 0.51 -0.47 0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1cey h ASP 41 Cb 1.17 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 41.16 1cey h ASP 41 CO -0.23 0.63 -0.21 0.00 -1.61 0.00 0.00 179.24 177.82 1cey h ALA 42 N -0.42 -0.33 0.35 -0.78 0.00 -0.58 0.85 119.26 118.35 1cey h ALA 42 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1cey h ALA 42 Cb 0.53 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1cey h ALA 42 CO 0.01 -0.73 -0.50 -0.07 0.00 0.00 0.00 179.25 177.97 1cey h LEU 43 N -0.38 -1.41 -1.64 0.00 4.07 -0.25 2.13 115.31 117.83 1cey h LEU 43 Ca 0.04 0.13 0.12 0.00 0.08 0.00 0.00 57.88 58.25 1cey h LEU 43 Cb 0.42 0.49 -0.04 0.00 1.08 0.00 0.00 40.66 42.61 1cey h LEU 43 CO -0.15 -0.61 0.45 0.78 -1.08 0.00 0.00 178.44 177.82 1cey h ASN 44 N -0.89 0.35 0.99 -0.43 2.35 -1.35 -1.08 115.58 115.52 1cey h ASN 44 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1cey h ASN 44 Cb 0.82 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1cey h ASN 44 CO -0.14 0.20 -1.00 0.29 -1.65 0.00 0.00 177.43 175.13 1cey n LYS 45 N -4.47 0.60 0.32 0.81 4.76 0.28 -3.87 118.16 116.59 1cey n LYS 45 Ca 0.12 0.12 0.19 0.00 -2.87 0.00 0.00 58.31 55.87 1cey n LYS 45 Cb 0.46 -1.82 1.08 0.00 -1.84 0.00 0.00 35.03 32.90 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cey h LEU 46 N 0.00 0.00 -0.76 -0.35 7.12 0.48 0.40 115.31 122.21 1cey h LEU 46 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1cey h LEU 46 Cb 0.99 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1cey h LEU 46 CO 0.00 0.01 -0.14 0.00 -0.13 0.00 0.00 178.44 178.17 1cey n GLN 47 N -3.39 1.26 0.00 1.25 6.02 -1.23 -3.86 117.38 117.44 1cey n GLN 47 Ca -0.03 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.20 1cey n GLN 47 Cb 0.09 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey n ALA 48 N -0.21 -0.11 0.00 -1.58 0.00 0.14 -4.48 120.51 114.27 1cey n ALA 48 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1cey n ALA 48 Cb 0.36 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1cey n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 49 N -0.97 0.11 0.00 0.00 0.00 -1.26 -5.06 105.19 98.00 1cey n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.89 0.69 3.54 -0.02 0.00 -1.25 -5.00 105.19 104.04 1cey n GLY 50 Ca 0.00 -0.77 -0.56 0.00 0.00 0.00 0.00 46.02 44.68 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 0.00 1.72 0.93 1.61 4.01 -1.26 -4.72 117.16 119.45 1cey n TYR 51 Ca 0.00 0.53 0.06 0.00 -0.16 0.00 0.00 57.90 58.33 1cey n TYR 51 Cb 0.00 -2.44 0.33 0.00 -0.31 0.00 0.00 39.34 36.93 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 5.60 -0.46 3.62 2.72 0.00 -1.06 -4.62 105.19 110.99 1cey n GLY 52 Ca 0.37 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.72 -0.07 1.61 2.19 0.02 -4.11 117.98 114.89 1cey s PHE 53 Ca 0.17 1.73 -0.01 0.00 0.33 0.00 0.00 56.93 59.15 1cey s PHE 53 Cb 0.08 0.30 0.03 0.00 -1.31 0.00 0.00 43.02 42.11 1cey s PHE 53 CO 0.13 -0.37 -0.01 0.08 1.83 0.00 0.00 175.22 176.88 1cey s VAL 54 N 0.21 0.44 -0.07 3.12 1.01 -1.04 -1.71 120.40 122.35 1cey s VAL 54 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1cey s VAL 54 Cb -0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1cey s VAL 54 CO 0.01 0.26 -0.07 -0.63 0.00 0.00 0.00 175.10 174.67 1cey s ILE 55 N 1.83 3.70 -0.01 2.22 1.01 0.12 -2.27 121.20 127.79 1cey s ILE 55 Ca 0.03 -0.48 -0.28 0.00 0.00 0.00 0.00 60.65 59.92 1cey s ILE 55 Cb -0.12 -2.52 0.10 0.00 0.01 0.00 0.00 42.46 39.93 1cey s ILE 55 CO -0.05 0.59 0.85 -0.44 0.00 0.00 0.00 174.94 175.90 1cey s SER 56 N -0.71 -0.42 0.00 3.58 0.01 -1.26 -1.52 113.70 113.38 1cey s SER 56 Ca 0.11 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1cey s SER 56 Cb -0.11 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1cey s SER 56 CO 0.02 -0.62 0.00 0.47 0.41 0.00 0.00 173.24 173.52 1cey n ASP 57 N -0.00 0.00 0.00 2.44 9.92 -1.25 -0.87 116.55 126.79 1cey n ASP 57 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1cey n ASP 57 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1cey n TRP 58 N 0.00 0.00 -0.06 1.24 -0.00 -1.25 -3.66 117.44 113.71 1cey n TRP 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1cey n TRP 58 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 31.31 31.32 1cey n TRP 58 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1cey n ASN 59 N 0.00 0.00 0.08 5.87 2.04 -1.26 -3.60 115.26 118.39 1cey n ASN 59 Ca 0.00 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 54.02 1cey n ASN 59 Cb 0.07 0.00 -0.13 0.00 -2.53 0.00 0.00 39.78 37.18 1cey n ASN 59 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1cey h MET 60 N 0.00 0.16 0.00 -3.83 4.05 -1.94 -3.46 114.93 109.91 1cey h MET 60 Ca 0.00 -0.27 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1cey h MET 60 Cb 0.00 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1cey h MET 60 CO 0.00 1.09 0.00 -2.30 0.23 0.00 0.00 176.91 175.93 1cey n PRO 61 N -3.43 2.55 0.00 0.39 -0.02 -1.26 -4.99 135.00 128.24 1cey n PRO 61 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1cey n PRO 61 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.48 1cey n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cey n ASN 62 N 0.00 0.00 -0.10 2.55 3.02 -1.26 -4.53 115.26 114.94 1cey n ASN 62 Ca 0.00 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.80 1cey n ASN 62 Cb 0.00 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 39.72 1cey n ASN 62 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1cey h MET 63 N 0.00 0.00 0.00 3.52 1.85 -1.94 -3.41 114.93 114.95 1cey h MET 63 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1cey h MET 63 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1cey h MET 63 CO 0.00 0.00 0.00 -0.40 -0.40 0.00 0.00 176.91 176.11 1cey n ASP 64 N -3.39 0.00 0.00 1.39 5.68 -1.26 -4.92 116.55 114.04 1cey n ASP 64 Ca 0.17 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.48 1cey n ASP 64 Cb 1.21 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 41.25 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 65 N -0.12 -0.09 0.39 6.12 0.00 -1.24 -2.84 105.19 107.41 1cey n GLY 65 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.81 -1.04 0.99 5.85 -1.93 -0.05 115.31 118.32 1cey h LEU 66 Ca 0.00 0.03 0.23 0.00 0.84 0.00 0.00 57.88 58.98 1cey h LEU 66 Cb 0.00 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.12 1cey h LEU 66 CO 0.00 -0.43 0.61 -0.08 -0.34 0.00 0.00 178.44 178.20 1cey h GLU 67 N -1.24 0.60 -0.61 1.25 4.81 -1.95 1.65 114.58 119.09 1cey h GLU 67 Ca -0.10 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1cey h GLU 67 Cb 0.73 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1cey h GLU 67 CO 0.16 0.40 0.40 1.25 -0.73 0.00 0.00 179.01 180.49 1cey h LEU 68 N 0.62 0.61 0.00 1.64 6.46 -1.62 -1.96 115.31 121.06 1cey h LEU 68 Ca 0.62 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.37 1cey h LEU 68 Cb 1.16 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 1cey h LEU 68 CO -0.43 0.42 -0.10 0.25 -0.62 0.00 0.00 178.44 177.96 1cey h LEU 69 N 0.71 0.00 -0.79 2.25 6.46 0.40 -3.34 115.31 121.00 1cey h LEU 69 Ca 0.24 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 58.16 1cey h LEU 69 Cb 0.08 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 39.86 1cey h LEU 69 CO -0.07 0.37 -0.19 1.17 -0.62 0.00 0.00 178.44 179.10 1cey n LYS 70 N -3.76 -0.07 -0.24 1.25 4.81 0.24 0.25 118.16 120.64 1cey n LYS 70 Ca -0.01 1.23 0.05 0.00 -0.87 0.00 0.00 58.31 58.70 1cey n LYS 70 Cb 0.05 -1.84 0.16 0.00 0.02 0.00 0.00 35.03 33.42 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 0.50 -0.52 3.15 2.02 -1.52 1.11 112.91 117.66 1cey h THR 71 Ca 0.38 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.56 1cey h THR 71 Cb 0.58 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1cey h THR 71 CO -0.81 0.04 0.35 0.40 0.37 0.00 0.00 175.52 175.87 1cey h ILE 72 N 0.23 0.92 0.00 3.11 2.04 0.32 0.33 117.51 124.47 1cey h ILE 72 Ca 0.39 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 1cey h ILE 72 Cb 0.67 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1cey h ILE 72 CO -0.52 0.07 -0.17 -0.09 0.00 0.00 0.00 178.15 177.44 1cey h ARG 73 N 0.37 0.00 -1.11 2.37 2.43 0.18 -2.70 114.38 115.92 1cey h ARG 73 Ca 0.23 0.00 0.32 0.00 -0.81 0.00 0.00 59.98 59.73 1cey h ARG 73 Cb 0.44 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1cey h ARG 73 CO -0.06 0.17 0.89 0.00 -1.51 0.00 0.00 179.97 179.46 1cey h ALA 74 N 1.83 3.00 -1.47 2.80 0.00 0.38 -3.10 119.26 122.71 1cey h ALA 74 Ca -0.00 -0.04 -0.71 0.00 0.00 0.00 0.00 54.91 54.16 1cey h ALA 74 Cb 0.51 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1cey h ALA 74 CO 0.02 -1.46 1.51 -0.51 0.00 0.00 0.00 179.25 178.81 1cey s ASP 75 N -4.81 6.91 0.35 0.00 1.11 -1.02 -4.79 116.67 114.43 1cey s ASP 75 Ca -0.05 -2.62 0.05 0.00 0.18 0.00 0.00 52.55 50.12 1cey s ASP 75 Cb 0.21 -2.46 0.66 0.00 1.07 0.00 0.00 42.92 42.40 1cey s ASP 75 CO 0.72 -0.95 1.90 1.23 1.18 0.00 0.00 175.17 179.26 1cey h GLY 76 N 10.75 0.53 -0.34 0.21 0.00 -1.85 -2.09 103.07 110.28 1cey h GLY 76 Ca 0.32 -0.29 0.30 0.00 0.00 0.00 0.00 47.33 47.65 1cey h GLY 76 CO 1.29 0.28 0.68 0.00 0.00 0.00 0.00 176.54 178.79 1cey h ALA 77 N 1.55 2.22 -0.54 3.60 0.00 -1.91 -3.22 119.26 120.96 1cey h ALA 77 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cey h ALA 77 Cb 0.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cey h ALA 77 CO 0.01 -0.69 0.00 -1.33 0.00 0.00 0.00 179.25 177.24 1cey n MET 78 N -4.72 0.00 -0.75 0.00 2.81 -0.89 -4.89 117.12 108.68 1cey n MET 78 Ca 0.28 0.10 -0.01 0.00 -1.81 0.00 0.00 57.70 56.26 1cey n MET 78 Cb 0.96 -0.53 -0.01 0.00 -0.71 0.00 0.00 33.22 32.93 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 -2.18 -4.02 -0.07 7.83 2.88 -0.84 -4.63 113.62 112.59 1cey n SER 79 Ca 0.00 0.04 -0.07 0.00 -1.33 0.00 0.00 58.87 57.50 1cey n SER 79 Cb 0.00 -2.63 -0.10 0.00 -0.75 0.00 0.00 64.21 60.74 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 0.67 1.68 -0.91 -1.46 0.00 -1.26 -4.96 120.51 114.26 1cey n ALA 80 Ca -0.01 -0.83 -0.22 0.00 0.00 0.00 0.00 53.44 52.38 1cey n ALA 80 Cb 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.56 -0.09 -4.77 0.00 -0.00 -1.26 -4.79 117.00 103.53 1cey n LEU 81 Ca -0.22 -0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.38 1cey n LEU 81 Cb 0.90 -0.50 -0.02 0.00 -0.00 0.00 0.00 43.42 43.80 1cey n LEU 81 CO 0.26 -0.54 1.00 -2.16 -0.00 0.00 0.00 177.39 175.94 1cey s PRO 82 N 5.16 4.34 -0.02 1.96 0.05 -1.26 -4.91 135.00 140.32 1cey s PRO 82 Ca 0.82 2.23 0.03 0.00 0.05 0.00 0.00 61.00 64.13 1cey s PRO 82 Cb -0.70 -3.08 -0.00 0.00 0.05 0.00 0.00 34.50 30.77 1cey s PRO 82 CO 0.31 -0.23 -0.11 0.08 0.05 0.00 0.00 177.00 177.10 1cey s VAL 83 N -0.93 0.88 -0.64 -0.36 1.01 -1.23 -2.50 120.40 116.62 1cey s VAL 83 Ca 0.51 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1cey s VAL 83 Cb -0.40 -0.76 0.25 0.00 0.00 0.00 0.00 36.38 35.47 1cey s VAL 83 CO 0.51 0.26 0.76 -0.11 0.00 0.00 0.00 175.10 176.52 1cey n LEU 84 N 3.06 3.82 -4.25 3.92 7.94 -0.96 0.93 117.00 131.45 1cey n LEU 84 Ca -0.16 -5.45 -0.32 0.00 -1.11 0.00 0.00 56.01 48.97 1cey n LEU 84 Cb 0.55 -0.67 0.17 0.00 0.53 0.00 0.00 43.42 44.00 1cey n LEU 84 CO 0.25 2.06 -0.58 1.15 -1.11 0.00 0.00 177.39 179.16 1cey n MET 85 N 0.83 -1.65 -3.78 1.96 0.00 -0.39 -4.23 117.12 109.86 1cey n MET 85 Ca 0.30 -0.47 -0.14 0.00 0.00 0.00 0.00 57.70 57.39 1cey n MET 85 Cb 0.41 -1.66 -0.15 0.00 0.00 0.00 0.00 33.22 31.82 1cey n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cey s VAL 86 N -2.21 -0.05 0.18 3.17 1.01 -0.05 -2.61 120.40 119.85 1cey s VAL 86 Ca 0.54 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 1cey s VAL 86 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 1cey s VAL 86 CO 0.64 0.07 0.35 0.28 0.00 0.00 0.00 175.10 176.44 1cey s THR 87 N 0.90 0.05 -0.25 3.92 -1.32 -1.08 -3.89 115.64 113.97 1cey s THR 87 Ca -0.07 -1.32 0.10 0.00 -1.21 0.00 0.00 61.69 59.19 1cey s THR 87 Cb -0.10 -1.89 0.44 0.00 -1.51 0.00 0.00 72.50 69.44 1cey s THR 87 CO -0.03 -0.21 1.27 0.00 -2.21 0.00 0.00 174.62 173.44 1cey n ALA 88 N -0.27 4.11 0.16 11.08 0.00 -1.26 -0.83 120.51 133.50 1cey n ALA 88 Ca -0.06 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 49.98 1cey n ALA 88 Cb 0.63 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1cey n ALA 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1cey n GLU 89 N -1.03 0.00 -2.89 0.00 2.13 -1.26 -4.95 120.64 112.64 1cey n GLU 89 Ca 0.27 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.01 1cey n GLU 89 Cb 0.80 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.52 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 -3.22 -3.05 0.88 4.31 0.00 -1.26 -4.74 120.51 113.43 1cey n ALA 90 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 53.44 54.29 1cey n ALA 90 Cb 0.00 -2.64 0.04 0.00 0.00 0.00 0.00 19.45 16.85 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 0.10 0.44 0.00 0.00 5.02 -1.26 -4.84 118.16 117.63 1cey n LYS 91 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1cey n LYS 91 Cb 0.34 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1cey n LYS 92 N -0.55 0.00 -0.28 1.97 4.81 -1.26 -4.28 118.16 118.57 1cey n LYS 92 Ca 0.01 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.52 1cey n LYS 92 Cb 0.01 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.27 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cey h GLU 93 N 0.00 0.51 0.00 1.64 4.81 -2.01 0.73 114.58 120.26 1cey h GLU 93 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1cey h GLU 93 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1cey h GLU 93 CO 0.00 0.33 0.00 -2.95 -0.73 0.00 0.00 179.01 175.66 1cey h ASN 94 N 0.52 0.00 1.12 1.04 -1.07 -1.94 -1.49 115.58 113.75 1cey h ASN 94 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.81 1cey h ASN 94 Cb 0.66 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 1cey h ASN 94 CO -0.39 0.00 -0.28 -0.38 0.07 0.00 0.00 177.43 176.45 1cey n ILE 95 N -2.87 0.40 -0.02 6.14 2.08 0.25 -3.50 119.36 121.84 1cey n ILE 95 Ca 0.00 -0.23 -0.01 0.00 0.56 0.00 0.00 62.75 63.07 1cey n ILE 95 Cb 0.23 -0.34 -0.00 0.00 -0.75 0.00 0.00 39.64 38.78 1cey n ILE 95 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1cey h ILE 96 N 0.00 0.00 -0.81 1.39 2.04 -0.73 -2.54 117.51 116.86 1cey h ILE 96 Ca 0.00 -0.66 0.20 0.00 1.00 0.00 0.00 64.86 65.40 1cey h ILE 96 Cb 0.70 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.64 1cey h ILE 96 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.26 1cey h ALA 97 N -1.33 0.99 -0.22 1.87 0.00 -1.71 0.36 119.26 119.22 1cey h ALA 97 Ca -0.00 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1cey h ALA 97 Cb 0.03 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1cey h ALA 97 CO 0.01 -0.43 0.05 0.00 0.00 0.00 0.00 179.25 178.88 1cey h ALA 98 N 1.73 0.23 -0.63 0.00 0.00 -1.68 -2.20 119.26 116.72 1cey h ALA 98 Ca 0.47 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.54 1cey h ALA 98 Cb 0.88 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 1cey h ALA 98 CO -0.65 -0.37 0.12 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 99 N 1.16 0.74 -0.26 0.00 0.00 0.14 0.61 119.26 121.64 1cey h ALA 99 Ca 0.10 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.23 1cey h ALA 99 Cb 0.09 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cey h ALA 99 CO -0.13 -0.32 0.41 1.96 0.00 0.00 0.00 179.25 181.17 1cey h GLN 100 N 0.25 0.00 0.00 0.00 4.20 -0.67 -3.36 115.11 115.52 1cey h GLN 100 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1cey h GLN 100 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1cey h GLN 100 CO -0.44 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.72 1cey n ALA 101 N -2.18 0.00 -0.44 3.87 0.00 0.21 -4.98 120.51 116.99 1cey n ALA 101 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1cey n ALA 101 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1cey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cey n GLY 102 N 4.91 0.06 0.05 0.00 0.00 -1.20 -4.77 105.19 104.25 1cey n GLY 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -0.09 1.19 -0.28 4.61 0.00 -1.17 -3.47 120.51 121.30 1cey n ALA 103 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 103 Cb 0.11 -0.82 0.35 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.32 0.06 -4.51 0.00 7.64 -1.26 -3.86 113.62 111.36 1cey n SER 104 Ca 0.00 0.58 -0.34 0.00 1.01 0.00 0.00 58.87 60.12 1cey n SER 104 Cb 0.00 -0.29 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 1cey n SER 104 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cey s GLY 105 N -3.51 1.73 -0.17 0.23 0.00 0.26 -4.96 107.32 100.91 1cey s GLY 105 Ca -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.83 1cey s GLY 105 CO 0.41 -0.10 0.19 -0.47 0.00 0.00 0.00 173.10 173.12 1cey s TYR 106 N 0.28 -0.17 -0.10 1.90 5.04 -1.25 -1.26 117.35 121.79 1cey s TYR 106 Ca -0.03 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 54.83 1cey s TYR 106 Cb -0.14 -0.40 -0.02 0.00 0.35 0.00 0.00 41.96 41.76 1cey s TYR 106 CO 0.03 -0.52 -0.16 0.54 -1.34 0.00 0.00 175.55 174.10 1cey s VAL 107 N 2.29 2.82 0.00 3.14 0.11 -1.07 -4.98 120.40 122.70 1cey s VAL 107 Ca 0.05 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 1cey s VAL 107 Cb -0.15 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.56 1cey s VAL 107 CO -0.10 0.55 0.00 1.33 -3.33 0.00 0.00 175.10 173.55 1cey n VAL 108 N 3.14 0.00 -3.52 2.04 0.24 -1.26 -2.63 118.33 116.34 1cey n VAL 108 Ca -0.18 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 61.95 1cey n VAL 108 Cb 0.52 -0.77 -0.06 0.00 -1.47 0.00 0.00 33.84 32.07 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1cey s LYS 109 N -2.36 1.08 0.86 7.34 -2.85 -0.01 -4.49 119.74 119.30 1cey s LYS 109 Ca 0.00 0.13 -0.12 0.00 -1.00 0.00 0.00 55.97 54.99 1cey s LYS 109 Cb 0.00 0.50 0.10 0.00 -2.06 0.00 0.00 37.83 36.38 1cey s LYS 109 CO 0.00 -0.36 1.10 -1.25 0.10 0.00 0.00 175.35 174.94 1cey s PRO 110 N -1.57 1.60 0.11 1.78 0.05 -1.26 -4.61 135.00 131.09 1cey s PRO 110 Ca -0.09 0.66 0.04 0.00 0.05 0.00 0.00 61.00 61.65 1cey s PRO 110 Cb -0.00 -1.86 -0.04 0.00 0.05 0.00 0.00 34.50 32.65 1cey s PRO 110 CO 0.06 -1.96 -0.10 -0.59 0.05 0.00 0.00 177.00 174.46 1cey s PHE 111 N -3.08 1.11 0.02 0.56 -0.12 -1.26 -5.08 117.98 110.12 1cey s PHE 111 Ca 0.62 -0.70 -0.09 0.00 -0.05 0.00 0.00 56.93 56.71 1cey s PHE 111 Cb -0.16 -0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 41.58 1cey s PHE 111 CO 0.55 0.01 0.32 0.99 -0.05 0.00 0.00 175.22 177.04 1cey s THR 112 N -2.77 5.21 0.48 -4.49 2.01 -1.26 -4.82 115.64 110.00 1cey s THR 112 Ca 0.09 0.34 0.35 0.00 0.31 0.00 0.00 61.69 62.78 1cey s THR 112 Cb -0.01 -3.60 0.55 0.00 0.01 0.00 0.00 72.50 69.45 1cey s THR 112 CO -0.00 0.38 1.65 0.00 -0.69 0.00 0.00 174.62 175.96 1cey h ALA 113 N 4.04 3.02 -0.51 7.40 0.00 -1.97 2.32 119.26 133.56 1cey h ALA 113 Ca -0.50 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1cey h ALA 113 Cb 1.20 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1cey h ALA 113 CO 0.65 -1.58 0.14 0.00 0.00 0.00 0.00 179.25 178.46 1cey h ALA 114 N 1.43 0.67 0.02 0.00 0.00 -1.97 0.67 119.26 120.08 1cey h ALA 114 Ca 0.80 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1cey h ALA 114 Cb 2.74 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.33 1cey h ALA 114 CO -0.26 0.35 -0.01 1.15 0.00 0.00 0.00 179.25 180.49 1cey h THR 115 N 0.71 0.00 -1.24 0.00 2.02 0.35 0.30 112.91 115.05 1cey h THR 115 Ca 0.16 -0.01 0.36 0.00 0.77 0.00 0.00 66.41 67.69 1cey h THR 115 Cb 0.30 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.65 1cey h THR 115 CO -0.00 0.00 0.87 0.25 0.37 0.00 0.00 175.52 177.01 1cey h LEU 116 N -0.03 0.10 0.44 2.58 7.12 -1.24 -1.57 115.31 122.71 1cey h LEU 116 Ca -0.00 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 1cey h LEU 116 Cb 0.02 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 1cey h LEU 116 CO 0.00 0.00 -0.21 -0.08 -0.13 0.00 0.00 178.44 178.03 1cey h GLU 117 N 0.08 -0.57 -0.82 1.25 4.57 0.60 -2.51 114.58 117.18 1cey h GLU 117 Ca 0.62 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.92 1cey h GLU 117 Cb 2.28 0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 30.89 1cey h GLU 117 CO -0.09 -0.38 -0.58 1.49 -1.18 0.00 0.00 179.01 178.27 1cey h GLU 118 N -0.86 -0.12 -0.98 1.92 4.81 0.06 0.66 114.58 120.08 1cey h GLU 118 Ca -0.06 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 59.38 1cey h GLU 118 Cb 0.45 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.75 1cey h GLU 118 CO 0.10 -0.08 0.56 0.87 -0.73 0.00 0.00 179.01 179.73 1cey h LYS 119 N -0.12 0.63 0.04 1.92 1.79 -1.55 0.83 116.57 120.11 1cey h LYS 119 Ca 0.14 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1cey h LYS 119 Cb 0.47 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1cey h LYS 119 CO -0.83 0.42 -0.02 1.25 -1.08 0.00 0.00 179.45 179.18 1cey h LEU 120 N 0.65 -0.05 -1.15 2.94 7.12 0.65 -0.93 115.31 124.55 1cey h LEU 120 Ca 0.59 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 58.32 1cey h LEU 120 Cb 1.00 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1cey h LEU 120 CO -0.43 0.26 0.00 0.78 -0.13 0.00 0.00 178.44 178.92 1cey h ASN 121 N -0.36 0.00 0.61 1.25 4.21 0.59 -2.19 115.58 119.69 1cey h ASN 121 Ca -0.01 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.23 1cey h ASN 121 Cb 0.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1cey h ASN 121 CO 0.01 0.00 -1.33 0.50 -1.29 0.00 0.00 177.43 175.32 1cey h LYS 122 N 0.00 0.22 0.14 0.81 3.64 0.95 -2.32 116.57 120.01 1cey h LYS 122 Ca 0.00 -0.38 -0.29 0.00 -1.27 0.00 0.00 60.65 58.72 1cey h LYS 122 Cb 0.50 0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1cey h LYS 122 CO 0.00 1.13 -1.26 0.82 -2.27 0.00 0.00 179.45 177.87 1cey h ILE 123 N 0.06 1.39 -0.00 2.00 2.04 -0.97 -3.29 117.51 118.74 1cey h ILE 123 Ca -0.16 -2.75 -0.16 0.00 1.00 0.00 0.00 64.86 62.78 1cey h ILE 123 Cb 1.96 2.84 -0.02 0.00 -0.74 0.00 0.00 36.82 40.86 1cey h ILE 123 CO 0.18 0.82 -0.77 -0.26 0.00 0.00 0.00 178.15 178.11 1cey h PHE 124 N 0.16 0.02 -0.41 1.37 -1.00 -1.51 -2.91 116.94 112.67 1cey h PHE 124 Ca -0.17 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.72 1cey h PHE 124 Cb 1.95 -0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.49 1cey h PHE 124 CO 0.09 0.78 0.58 1.49 -1.61 0.00 0.00 178.31 179.64 1cey h GLU 125 N 0.01 0.00 0.00 1.51 4.81 -1.48 1.95 114.58 121.38 1cey h GLU 125 Ca -0.01 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1cey h GLU 125 Cb 1.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1cey h GLU 125 CO 0.10 0.00 -1.60 1.63 -0.73 0.00 0.00 179.01 178.42 1cey n LYS 126 N -3.40 0.64 0.15 1.92 4.76 -1.11 -3.90 118.16 117.22 1cey n LYS 126 Ca 0.08 0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1cey n LYS 126 Cb 0.74 -1.70 0.19 0.00 -1.84 0.00 0.00 35.03 32.42 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 -3.36 -0.35 5.85 0.28 -3.48 115.31 114.24 1cey h LEU 127 Ca -0.13 -0.03 -0.35 0.00 0.84 0.00 0.00 57.88 58.22 1cey h LEU 127 Cb 1.36 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.40 1cey h LEU 127 CO 0.02 0.02 -0.96 0.61 -0.34 0.00 0.00 178.44 177.79 1cey n GLY 128 N 1.20 -0.73 0.68 3.75 0.00 0.23 -5.07 105.19 105.24 1cey n GLY 128 Ca 0.03 0.88 0.08 0.00 0.00 0.00 0.00 46.02 47.02 1cey n GLY 128 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19