#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey s ASP 3 N 0.00 -0.71 0.00 0.00 1.11 -1.26 -5.01 116.67 110.80 1cey s ASP 3 Ca 0.00 1.17 0.13 0.00 0.18 0.00 0.00 52.55 54.03 1cey s ASP 3 Cb 0.00 1.12 0.39 0.00 1.07 0.00 0.00 42.92 45.50 1cey s ASP 3 CO 0.00 -0.38 1.32 0.29 1.18 0.00 0.00 175.17 177.58 1cey n LYS 4 N 2.03 1.86 -2.74 8.23 4.76 -1.26 -4.29 118.16 126.75 1cey n LYS 4 Ca -0.16 -1.34 -0.09 0.00 -2.87 0.00 0.00 58.31 53.86 1cey n LYS 4 Cb 0.56 -1.31 0.09 0.00 -1.84 0.00 0.00 35.03 32.53 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1cey n GLU 5 N 0.58 1.07 -2.89 1.97 0.28 -1.26 -3.38 120.64 117.01 1cey n GLU 5 Ca 0.13 -1.99 -0.42 0.00 -0.16 0.00 0.00 57.16 54.72 1cey n GLU 5 Cb 0.32 -0.79 -0.04 0.00 1.43 0.00 0.00 31.44 32.36 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 -2.56 4.09 -0.21 -1.84 2.96 -1.26 -4.85 118.68 115.02 1cey s LEU 6 Ca 0.23 1.06 -0.31 0.00 -0.22 0.00 0.00 54.13 54.89 1cey s LEU 6 Cb 0.33 -3.20 -0.08 0.00 0.50 0.00 0.00 46.19 43.75 1cey s LEU 6 CO -0.06 -0.50 2.16 0.29 -1.32 0.00 0.00 176.35 176.92 1cey n LYS 7 N 5.89 1.87 -4.09 1.98 5.02 -1.26 -4.70 118.16 122.86 1cey n LYS 7 Ca 0.05 0.56 -0.29 0.00 -2.02 0.00 0.00 58.31 56.61 1cey n LYS 7 Cb 0.48 -2.97 -0.07 0.00 -0.02 0.00 0.00 35.03 32.45 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 7.26 3.08 -0.28 2.13 0.08 -1.03 -0.64 117.98 128.58 1cey s PHE 8 Ca 1.01 0.01 0.02 0.00 0.12 0.00 0.00 56.93 58.09 1cey s PHE 8 Cb -0.51 -1.55 0.08 0.00 -0.57 0.00 0.00 43.02 40.46 1cey s PHE 8 CO 0.41 0.50 -0.03 -1.17 -0.10 0.00 0.00 175.22 174.83 1cey s LEU 9 N -2.50 3.58 -0.39 -0.37 2.96 -0.55 -1.76 118.68 119.65 1cey s LEU 9 Ca 0.28 -1.61 -0.21 0.00 -0.22 0.00 0.00 54.13 52.37 1cey s LEU 9 Cb -0.11 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.15 1cey s LEU 9 CO 0.21 -0.28 0.69 -0.69 -1.32 0.00 0.00 176.35 174.96 1cey s VAL 10 N 1.14 4.81 -0.29 1.68 1.01 -1.05 -1.58 120.40 126.12 1cey s VAL 10 Ca -0.00 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1cey s VAL 10 Cb -0.19 -4.17 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1cey s VAL 10 CO -0.08 -0.46 -0.04 -0.69 0.00 0.00 0.00 175.10 173.83 1cey s VAL 11 N 2.90 2.32 -0.23 2.92 1.01 -1.10 -2.38 120.40 125.84 1cey s VAL 11 Ca 0.26 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 1cey s VAL 11 Cb -0.14 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.85 1cey s VAL 11 CO 0.17 -0.22 0.53 1.51 0.00 0.00 0.00 175.10 177.09 1cey s ASP 12 N 1.08 -0.69 0.00 3.32 -4.77 -1.26 -3.31 116.67 111.04 1cey s ASP 12 Ca -0.02 1.20 0.00 0.00 -3.30 0.00 0.00 52.55 50.43 1cey s ASP 12 Cb -0.20 1.28 0.00 0.00 -1.09 0.00 0.00 42.92 42.91 1cey s ASP 12 CO -0.05 -0.22 0.00 -0.67 0.70 0.00 0.00 175.17 174.93 1cey n ASP 13 N 4.65 0.00 0.00 2.11 -0.08 -1.26 -4.73 116.55 117.23 1cey n ASP 13 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1cey n ASP 13 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1cey n PHE 14 N 0.00 -0.24 -2.12 -0.67 -0.00 -1.26 -4.56 117.46 108.61 1cey n PHE 14 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1cey n PHE 14 Cb 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 39.48 39.53 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 -3.65 -0.02 0.00 -2.13 2.88 -1.26 -4.89 113.62 104.56 1cey n SER 15 Ca 0.00 -1.74 0.00 0.00 -1.33 0.00 0.00 58.87 55.80 1cey n SER 15 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 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 0.12 0.00 -0.09 2.46 5.66 -1.26 -4.99 114.28 116.18 1cey n THR 16 Ca -0.06 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.82 1cey n THR 16 Cb 0.76 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.49 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 0.55 -0.84 1.09 -1.53 -1.89 -3.09 114.93 109.22 1cey h MET 17 Ca 0.00 -0.26 0.20 0.00 -3.44 0.00 0.00 59.70 56.21 1cey h MET 17 Cb 0.05 -0.01 -0.15 0.00 -0.55 0.00 0.00 31.60 30.94 1cey h MET 17 CO 0.00 0.83 0.04 0.00 0.14 0.00 0.00 176.91 177.91 1cey h ARG 18 N 0.27 0.09 -0.08 0.39 3.08 -1.88 0.10 114.38 116.35 1cey h ARG 18 Ca 0.05 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1cey h ARG 18 Cb 0.68 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1cey h ARG 18 CO 0.04 0.06 -0.10 -0.09 -1.07 0.00 0.00 179.97 178.81 1cey h ARG 19 N 0.10 -0.13 -0.09 0.04 2.43 -1.95 0.22 114.38 114.99 1cey h ARG 19 Ca 0.48 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.69 1cey h ARG 19 Cb 0.89 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.41 1cey h ARG 19 CO -0.73 -0.09 -0.48 0.82 -1.51 0.00 0.00 179.97 177.98 1cey h ILE 20 N -0.13 0.07 -0.82 1.20 2.04 -0.83 -0.71 117.51 118.33 1cey h ILE 20 Ca 0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1cey h ILE 20 Cb 0.23 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1cey h ILE 20 CO -0.16 0.00 0.38 -0.37 0.00 0.00 0.00 178.15 178.00 1cey h VAL 21 N -0.57 1.26 0.17 1.67 -1.51 -1.21 0.01 116.25 116.07 1cey h VAL 21 Ca 0.05 -0.74 0.02 0.00 -1.23 0.00 0.00 66.70 64.80 1cey h VAL 21 Cb 0.67 0.21 -0.04 0.00 -2.13 0.00 0.00 31.29 30.00 1cey h VAL 21 CO -0.39 0.31 -0.40 0.03 -1.23 0.00 0.00 177.57 175.89 1cey h ARG 22 N 1.18 -0.64 0.25 5.19 3.08 0.32 -0.49 114.38 123.26 1cey h ARG 22 Ca 0.28 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1cey h ARG 22 Cb 0.13 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1cey h ARG 22 CO -0.03 -0.43 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.25 1cey h ASN 23 N -0.67 -0.58 -0.96 7.04 -0.73 -1.00 -1.63 115.58 117.04 1cey h ASN 23 Ca 0.01 0.05 0.14 0.00 1.87 0.00 0.00 56.30 58.37 1cey h ASN 23 Cb 0.67 0.20 -0.15 0.00 0.27 0.00 0.00 38.32 39.31 1cey h ASN 23 CO -0.20 -0.33 -0.41 -0.11 -0.37 0.00 0.00 177.43 176.01 1cey n LEU 24 N -5.35 -0.69 0.18 0.34 0.00 -0.02 0.85 117.00 112.31 1cey n LEU 24 Ca -0.09 1.68 -0.14 0.00 0.00 0.00 0.00 56.01 57.46 1cey n LEU 24 Cb 0.26 -0.36 -0.08 0.00 0.00 0.00 0.00 43.42 43.24 1cey n LEU 24 CO 0.30 -1.49 0.72 -0.07 0.00 0.00 0.00 177.39 176.86 1cey h LEU 25 N 0.00 -0.34 -1.98 -1.96 3.38 -0.76 -1.58 115.31 112.07 1cey h LEU 25 Ca 0.30 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.40 1cey h LEU 25 Cb 0.54 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1cey h LEU 25 CO -0.94 -0.16 0.51 0.11 0.09 0.00 0.00 178.44 178.04 1cey h LYS 26 N -0.49 0.00 -0.61 1.13 1.57 0.40 0.42 116.57 118.99 1cey h LYS 26 Ca -0.04 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1cey h LYS 26 Cb 0.37 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 1cey h LYS 26 CO 0.07 0.00 0.42 1.49 -0.57 0.00 0.00 179.45 180.86 1cey h GLU 27 N 0.00 0.27 0.00 3.15 4.57 0.15 -3.13 114.58 119.59 1cey h GLU 27 Ca 0.29 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 1cey h GLU 27 Cb 1.30 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1cey h GLU 27 CO -0.00 0.18 -0.01 -0.07 -1.18 0.00 0.00 179.01 177.93 1cey h LEU 28 N 0.28 0.00 0.00 1.64 -0.00 -0.20 -3.48 115.31 113.55 1cey h LEU 28 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1cey h LEU 28 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1cey h LEU 28 CO -0.07 0.04 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 1cey n GLY 29 N 1.94 0.00 3.92 0.83 0.00 -1.16 -5.12 105.19 105.60 1cey n GLY 29 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 3.48 0.00 1.61 0.08 -1.24 -4.12 117.98 117.80 1cey s PHE 30 Ca 0.00 0.41 0.02 0.00 0.12 0.00 0.00 56.93 57.48 1cey s PHE 30 Cb 0.00 -1.90 0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1cey s PHE 30 CO 0.00 0.36 0.82 0.27 -0.10 0.00 0.00 175.22 176.57 1cey n ASN 31 N -0.60 0.01 -3.63 1.36 0.23 -1.22 -3.90 115.26 107.51 1cey n ASN 31 Ca -0.04 -1.61 -0.27 0.00 -0.53 0.00 0.00 54.58 52.13 1cey n ASN 31 Cb 0.54 -0.10 -0.16 0.00 -2.08 0.00 0.00 39.78 37.97 1cey n ASN 31 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1cey s ASN 32 N -0.69 2.79 0.34 0.53 6.03 -1.26 -5.08 114.94 117.59 1cey s ASN 32 Ca 0.03 -0.84 -0.03 0.00 -1.03 0.00 0.00 52.86 50.99 1cey s ASN 32 Cb 0.03 -0.38 0.00 0.00 -3.03 0.00 0.00 41.25 37.88 1cey s ASN 32 CO -0.01 -0.36 0.48 0.68 -2.03 0.00 0.00 177.10 175.85 1cey s VAL 33 N 2.04 0.00 0.00 3.54 -7.23 -1.26 -2.47 120.40 115.02 1cey s VAL 33 Ca 0.03 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1cey s VAL 33 Cb -0.16 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.15 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 -0.55 0.35 -3.75 4.82 -0.58 -0.72 -4.93 120.64 115.27 1cey n GLU 34 Ca 0.01 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.63 1cey n GLU 34 Cb 0.62 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.41 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 -1.01 0.81 0.00 3.49 2.02 -1.26 -2.54 118.70 120.21 1cey s GLU 35 Ca 0.00 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.51 1cey s GLU 35 Cb 0.00 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.58 1cey s GLU 35 CO 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 175.26 175.02 1cey n ALA 36 N 0.60 0.00 -0.46 5.21 0.00 -1.00 -4.95 120.51 119.90 1cey n ALA 36 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 36 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 0.48 -3.02 0.00 1.02 -1.26 -4.37 120.64 113.49 1cey n GLU 37 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1cey n GLU 37 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1cey n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1cey n ASP 38 N -0.08 0.00 0.16 1.62 5.75 -1.26 -4.57 116.55 118.16 1cey n ASP 38 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 1cey n ASP 38 Cb 0.12 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.00 1.02 6.12 0.00 -1.86 -1.16 103.07 107.20 1cey h GLY 39 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1cey h GLY 39 CO 0.00 0.00 -0.51 -2.08 0.00 0.00 0.00 176.54 173.95 1cey h VAL 40 N 0.00 1.31 -0.26 4.60 2.07 -1.91 0.64 116.25 122.70 1cey h VAL 40 Ca -0.01 -1.73 -0.08 0.00 0.82 0.00 0.00 66.70 65.71 1cey h VAL 40 Cb 1.08 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1cey h VAL 40 CO 0.07 0.54 -0.13 -0.78 0.02 0.00 0.00 177.57 177.29 1cey h ASP 41 N 0.42 0.57 -0.24 0.57 3.58 -1.91 -2.82 116.42 116.60 1cey h ASP 41 Ca -0.00 -0.41 -0.13 0.00 0.42 0.00 0.00 57.03 56.90 1cey h ASP 41 Cb 1.12 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1cey h ASP 41 CO 0.11 0.86 -0.31 0.00 -2.88 0.00 0.00 179.24 177.02 1cey h ALA 42 N 0.73 0.80 0.02 -0.78 0.00 -1.19 -1.25 119.26 117.60 1cey h ALA 42 Ca 0.06 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1cey h ALA 42 Cb 0.65 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1cey h ALA 42 CO 0.04 0.65 -0.44 1.25 0.00 0.00 0.00 179.25 180.75 1cey h LEU 43 N 0.63 -1.33 -0.63 0.00 5.85 0.46 1.47 115.31 121.76 1cey h LEU 43 Ca 0.07 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1cey h LEU 43 Cb 0.84 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1cey h LEU 43 CO 0.07 -0.48 -0.03 0.78 -0.34 0.00 0.00 178.44 178.44 1cey h ASN 44 N -0.61 1.03 0.90 1.25 2.35 -1.48 -2.66 115.58 116.36 1cey h ASN 44 Ca 0.04 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 1cey h ASN 44 Cb 0.67 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 1cey h ASN 44 CO -0.31 1.09 -0.14 0.50 -1.65 0.00 0.00 177.43 176.93 1cey h LYS 45 N 0.94 0.00 0.00 0.81 1.63 -0.47 -2.61 116.57 116.87 1cey h LYS 45 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1cey h LYS 45 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1cey h LYS 45 CO 0.04 0.14 0.00 1.28 -3.45 0.00 0.00 179.45 177.45 1cey n LEU 46 N -3.31 0.00 -0.15 5.20 7.99 0.50 -0.70 117.00 126.52 1cey n LEU 46 Ca 0.00 0.24 0.07 0.00 -0.01 0.00 0.00 56.01 56.31 1cey n LEU 46 Cb 0.37 -0.24 -0.05 0.00 -0.11 0.00 0.00 43.42 43.39 1cey n LEU 46 CO 0.31 -0.18 0.09 1.67 -1.51 0.00 0.00 177.39 177.77 1cey n GLN 47 N -1.24 1.94 -0.06 3.23 7.27 -0.98 -3.99 117.38 123.54 1cey n GLN 47 Ca 0.04 -0.34 -0.06 0.00 0.07 0.00 0.00 57.00 56.71 1cey n GLN 47 Cb 0.06 -1.23 -0.04 0.00 2.41 0.00 0.00 30.24 31.44 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey h ALA 48 N 2.36 -0.49 0.00 1.69 0.00 -1.04 -3.38 119.26 118.41 1cey h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cey h ALA 48 Cb 0.43 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1cey h ALA 48 CO 0.00 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.06 1cey n GLY 49 N -1.15 -0.86 1.30 0.00 0.00 -1.26 -5.06 105.19 98.16 1cey n GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -0.39 3.57 -0.02 0.00 -1.26 -4.89 105.19 102.20 1cey n GLY 50 Ca 0.00 -0.21 -0.49 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.56 1.93 0.00 1.61 4.01 -1.26 -4.72 117.16 118.16 1cey n TYR 51 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1cey n TYR 51 Cb 0.13 -2.61 0.00 0.00 -0.31 0.00 0.00 39.34 36.55 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 -0.20 3.62 2.72 0.00 -1.03 -4.50 105.19 111.41 1cey n GLY 52 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.31 -0.56 -0.13 1.61 5.36 0.18 -4.09 117.98 118.05 1cey s PHE 53 Ca 0.00 1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 57.28 1cey s PHE 53 Cb 0.00 0.35 0.04 0.00 -0.34 0.00 0.00 43.02 43.07 1cey s PHE 53 CO 0.00 -0.30 -0.00 0.08 -1.46 0.00 0.00 175.22 173.54 1cey s VAL 54 N 0.09 0.57 -0.99 3.12 1.01 -1.07 -1.47 120.40 121.65 1cey s VAL 54 Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1cey s VAL 54 Cb -0.04 -0.83 0.23 0.00 0.00 0.00 0.00 36.38 35.74 1cey s VAL 54 CO -0.03 0.10 0.99 -0.63 0.00 0.00 0.00 175.10 175.53 1cey s ILE 55 N 1.87 5.66 0.60 2.22 1.01 -0.61 -0.58 121.20 131.38 1cey s ILE 55 Ca 0.03 -2.81 0.01 0.00 0.00 0.00 0.00 60.65 57.87 1cey s ILE 55 Cb -0.14 -4.59 0.06 0.00 0.01 0.00 0.00 42.46 37.80 1cey s ILE 55 CO -0.07 -1.18 0.84 -0.94 0.00 0.00 0.00 174.94 173.59 1cey s SER 56 N 1.98 5.02 0.00 3.58 1.04 -1.13 -2.71 113.70 121.48 1cey s SER 56 Ca 0.26 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1cey s SER 56 Cb -0.09 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1cey s SER 56 CO -0.08 -1.35 0.00 -0.90 0.98 0.00 0.00 173.24 171.89 1cey n ASP 57 N -2.49 0.00 0.00 7.02 5.75 -1.21 -1.33 116.55 124.29 1cey n ASP 57 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1cey n ASP 57 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 -0.96 2.11 -0.00 -1.25 -3.79 117.44 113.55 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 0.00 0.00 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 -0.77 0.08 -0.10 5.87 3.02 -1.26 0.68 115.26 122.78 1cey n ASN 59 Ca 0.00 -1.04 -0.05 0.00 -0.03 0.00 0.00 54.58 53.46 1cey n ASN 59 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1cey n ASN 59 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1cey h MET 60 N 0.00 0.04 0.00 3.52 2.86 -1.95 -3.42 114.93 115.98 1cey h MET 60 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1cey h MET 60 Cb 0.91 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1cey h MET 60 CO 0.00 0.03 0.00 -0.35 1.06 0.00 0.00 176.91 177.65 1cey n PRO 61 N -5.24 1.37 -3.08 -0.22 -0.05 -1.26 -4.96 135.00 121.56 1cey n PRO 61 Ca 0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 63.50 63.10 1cey n PRO 61 Cb 0.19 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.58 1cey n PRO 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1cey s ASN 62 N -1.69 7.11 0.28 3.54 6.03 -1.26 -4.86 114.94 124.09 1cey s ASN 62 Ca 0.00 1.46 0.00 0.00 -1.03 0.00 0.00 52.86 53.29 1cey s ASN 62 Cb 0.00 -2.43 0.00 0.00 -3.03 0.00 0.00 41.25 35.79 1cey s ASN 62 CO 0.00 0.06 0.00 0.80 -2.03 0.00 0.00 177.10 175.93 1cey n MET 63 N 0.87 0.00 -4.18 3.55 0.00 -1.26 -4.71 117.12 111.38 1cey n MET 63 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.56 1cey n MET 63 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.63 1cey n MET 63 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1cey s ASP 64 N -4.00 0.69 0.08 6.12 1.47 -1.26 -4.68 116.67 115.09 1cey s ASP 64 Ca 0.00 -1.19 0.24 0.00 1.18 0.00 0.00 52.55 52.78 1cey s ASP 64 Cb 0.00 0.22 0.19 0.00 -0.34 0.00 0.00 42.92 42.99 1cey s ASP 64 CO 0.00 -0.66 1.17 0.61 0.68 0.00 0.00 175.17 176.97 1cey n GLY 65 N -0.15 -1.30 0.27 2.12 0.00 0.21 -4.21 105.19 102.14 1cey n GLY 65 Ca -0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.75 -1.98 0.99 7.12 -1.97 1.12 115.31 119.84 1cey h LEU 66 Ca 0.00 0.14 0.06 0.00 0.13 0.00 0.00 57.88 58.21 1cey h LEU 66 Cb 0.73 0.36 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 1cey h LEU 66 CO 0.00 -0.27 0.39 -0.08 -0.13 0.00 0.00 178.44 178.35 1cey h GLU 67 N -0.23 0.00 0.33 1.25 4.22 -1.98 -0.36 114.58 117.80 1cey h GLU 67 Ca 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.57 1cey h GLU 67 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1cey h GLU 67 CO -0.39 0.00 -0.16 1.25 -2.18 0.00 0.00 179.01 177.53 1cey h LEU 68 N 0.00 -0.37 0.44 1.64 5.85 0.11 -0.84 115.31 122.13 1cey h LEU 68 Ca 0.10 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1cey h LEU 68 Cb 0.87 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 1cey h LEU 68 CO -0.00 0.01 -0.28 0.25 -0.34 0.00 0.00 178.44 178.08 1cey h LEU 69 N -0.82 -0.72 -0.85 2.25 6.46 -0.63 0.42 115.31 121.42 1cey h LEU 69 Ca -0.05 0.04 0.22 0.00 -0.12 0.00 0.00 57.88 57.97 1cey h LEU 69 Cb 0.52 0.21 -0.15 0.00 -0.73 0.00 0.00 40.66 40.52 1cey h LEU 69 CO 0.07 -0.43 0.10 0.50 -0.62 0.00 0.00 178.44 178.07 1cey h LYS 70 N -0.68 0.12 -0.45 1.25 3.64 -1.53 0.44 116.57 119.36 1cey h LYS 70 Ca -0.06 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1cey h LYS 70 Cb 0.55 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1cey h LYS 70 CO 0.05 0.08 0.11 1.79 -2.27 0.00 0.00 179.45 179.21 1cey h THR 71 N 0.13 1.23 -0.33 1.00 1.35 -0.80 0.12 112.91 115.61 1cey h THR 71 Ca 0.50 -0.81 0.10 0.00 -0.55 0.00 0.00 66.41 65.65 1cey h THR 71 Cb 0.98 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1cey h THR 71 CO -0.71 0.29 0.30 0.40 -0.25 0.00 0.00 175.52 175.55 1cey h ILE 72 N 0.59 0.56 0.00 6.82 2.04 0.44 0.63 117.51 128.59 1cey h ILE 72 Ca 0.14 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.72 1cey h ILE 72 Cb 0.32 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1cey h ILE 72 CO 0.00 0.00 -1.68 -1.14 0.00 0.00 0.00 178.15 175.33 1cey n ARG 73 N -4.00 0.63 -0.23 2.37 0.63 -0.36 -3.89 116.66 111.81 1cey n ARG 73 Ca 0.05 0.30 0.31 0.00 -0.92 0.00 0.00 57.85 57.59 1cey n ARG 73 Cb 0.47 -1.80 0.73 0.00 0.45 0.00 0.00 32.46 32.31 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 1.02 2.95 -1.89 5.13 0.00 0.16 -3.36 119.26 123.27 1cey h ALA 74 Ca -0.28 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.03 1cey h ALA 74 Cb 1.99 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.78 1cey h ALA 74 CO 0.08 -1.24 0.81 0.34 0.00 0.00 0.00 179.25 179.24 1cey s ASP 75 N -5.44 6.74 0.43 0.00 -1.08 -1.19 -4.88 116.67 111.26 1cey s ASP 75 Ca -0.05 0.68 0.23 0.00 -0.52 0.00 0.00 52.55 52.90 1cey s ASP 75 Cb 0.22 -2.52 0.82 0.00 -1.46 0.00 0.00 42.92 39.98 1cey s ASP 75 CO 0.78 -1.02 1.78 1.23 0.52 0.00 0.00 175.17 178.47 1cey h GLY 76 N 10.52 0.00 0.57 2.66 0.00 -1.91 -2.04 103.07 112.86 1cey h GLY 76 Ca -0.22 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.17 1cey h GLY 76 CO 1.06 0.00 0.20 0.00 0.00 0.00 0.00 176.54 177.80 1cey h ALA 77 N 1.77 0.63 -1.55 3.60 0.00 -1.92 -3.38 119.26 118.40 1cey h ALA 77 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cey h ALA 77 Cb 0.81 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1cey h ALA 77 CO 0.03 -0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.76 1cey n MET 78 N -4.98 0.00 -1.13 0.00 2.81 -1.19 -4.89 117.12 107.75 1cey n MET 78 Ca 0.05 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.89 1cey n MET 78 Cb 0.19 -0.24 -0.02 0.00 -0.71 0.00 0.00 33.22 32.44 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 -1.98 -1.34 -0.55 7.83 2.88 -0.77 -4.49 113.62 115.20 1cey n SER 79 Ca 0.00 0.12 -0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1cey n SER 79 Cb 0.00 -1.55 -0.00 0.00 -0.75 0.00 0.00 64.21 61.91 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 -0.41 2.07 -2.64 -1.46 0.00 -1.26 -5.01 120.51 111.80 1cey n ALA 80 Ca -0.05 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1cey n ALA 80 Cb 0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 1cey n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cey s LEU 81 N 0.00 4.08 -0.55 0.00 1.43 -1.26 -4.95 118.68 117.43 1cey s LEU 81 Ca 0.01 1.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.93 1cey s LEU 81 Cb 0.01 -3.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.91 1cey s LEU 81 CO -0.01 -0.55 2.42 -2.84 0.23 0.00 0.00 176.35 175.60 1cey s PRO 82 N 2.92 1.99 -0.27 1.29 0.02 -1.26 -4.79 135.00 134.91 1cey s PRO 82 Ca 0.36 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 62.52 1cey s PRO 82 Cb -0.15 -4.62 -0.05 0.00 0.02 0.00 0.00 34.50 29.70 1cey s PRO 82 CO 0.07 -3.51 0.22 0.08 -0.33 0.00 0.00 177.00 173.53 1cey s VAL 83 N 12.75 5.30 -0.45 3.83 1.01 -1.26 -2.60 120.40 138.98 1cey s VAL 83 Ca 0.97 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 63.05 1cey s VAL 83 Cb -0.16 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1cey s VAL 83 CO 0.23 0.26 0.36 -0.22 0.00 0.00 0.00 175.10 175.72 1cey s LEU 84 N 1.64 5.42 -0.45 3.92 1.98 0.25 -1.17 118.68 130.27 1cey s LEU 84 Ca 0.09 -1.15 -0.26 0.00 -2.89 0.00 0.00 54.13 49.92 1cey s LEU 84 Cb -0.15 -2.18 0.03 0.00 0.66 0.00 0.00 46.19 44.55 1cey s LEU 84 CO 0.09 -0.57 0.95 -0.32 -1.89 0.00 0.00 176.35 174.61 1cey s MET 85 N 1.66 3.58 0.29 1.98 1.75 -1.04 -2.82 119.30 124.71 1cey s MET 85 Ca 0.05 0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.77 1cey s MET 85 Cb -0.22 -3.91 -0.02 0.00 2.84 0.00 0.00 34.83 33.51 1cey s MET 85 CO 0.08 -1.21 0.44 0.14 -0.65 0.00 0.00 175.02 173.82 1cey s VAL 86 N 3.79 4.84 0.00 10.11 -7.23 -0.44 -2.78 120.40 128.69 1cey s VAL 86 Ca 0.38 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 1cey s VAL 86 Cb -0.10 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1cey s VAL 86 CO 0.26 -0.32 0.00 1.07 -0.31 0.00 0.00 175.10 175.80 1cey n THR 87 N -1.57 0.00 -2.35 5.32 5.66 -0.93 -3.93 114.28 116.49 1cey n THR 87 Ca -0.05 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.93 1cey n THR 87 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1cey n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cey n ALA 88 N -3.00 3.06 0.22 1.79 0.00 -1.26 0.73 120.51 122.05 1cey n ALA 88 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1cey n ALA 88 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.14 0.00 -2.76 0.00 0.00 -1.26 -4.93 120.64 111.56 1cey n GLU 89 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.01 1cey n GLU 89 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.29 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cey n ALA 90 N -3.46 -2.96 -2.53 4.31 0.00 -1.26 -4.90 120.51 109.71 1cey n ALA 90 Ca 0.00 1.55 -0.32 0.00 0.00 0.00 0.00 53.44 54.67 1cey n ALA 90 Cb 0.00 -3.18 -0.00 0.00 0.00 0.00 0.00 19.45 16.27 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 1.80 3.59 0.00 0.00 4.81 -1.26 -4.94 118.16 122.16 1cey n LYS 91 Ca -0.26 -4.45 0.00 0.00 -0.87 0.00 0.00 58.31 52.73 1cey n LYS 91 Cb 0.43 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.19 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cey n LYS 92 N -0.35 0.00 -0.26 1.64 5.02 -1.26 -3.42 118.16 119.53 1cey n LYS 92 Ca 0.41 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.63 1cey n LYS 92 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.42 1cey n LYS 92 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1cey h GLU 93 N 0.00 -0.15 -0.56 1.97 5.08 -2.00 0.10 114.58 119.02 1cey h GLU 93 Ca 0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1cey h GLU 93 Cb 0.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1cey h GLU 93 CO 0.00 -0.10 0.24 -0.97 -1.00 0.00 0.00 179.01 177.18 1cey h ASN 94 N -0.16 0.29 -1.04 1.42 -0.00 -1.95 0.20 115.58 114.34 1cey h ASN 94 Ca 0.22 0.06 0.27 0.00 -0.00 0.00 0.00 56.30 56.84 1cey h ASN 94 Cb 0.56 0.02 -0.10 0.00 -0.00 0.00 0.00 38.32 38.79 1cey h ASN 94 CO -0.77 0.19 0.66 0.40 -0.00 0.00 0.00 177.43 177.91 1cey h ILE 95 N 0.45 0.52 0.00 2.57 2.04 -1.07 1.38 117.51 123.39 1cey h ILE 95 Ca 0.27 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.90 1cey h ILE 95 Cb 0.27 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1cey h ILE 95 CO -0.24 0.07 -0.41 0.40 0.00 0.00 0.00 178.15 177.97 1cey h ILE 96 N 0.41 0.86 0.08 -0.67 2.04 -0.46 -3.18 117.51 116.59 1cey h ILE 96 Ca 0.60 -1.73 0.02 0.00 1.00 0.00 0.00 64.86 64.75 1cey h ILE 96 Cb 1.49 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 39.62 1cey h ILE 96 CO -0.32 0.40 -0.20 0.00 0.00 0.00 0.00 178.15 178.03 1cey h ALA 97 N 1.59 -0.32 0.79 1.87 0.00 0.24 1.62 119.26 125.05 1cey h ALA 97 Ca -0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1cey h ALA 97 Cb 1.05 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1cey h ALA 97 CO 0.05 -0.72 -0.47 0.00 0.00 0.00 0.00 179.25 178.11 1cey h ALA 98 N 0.45 -1.21 -0.05 0.00 0.00 -1.56 -0.66 119.26 116.23 1cey h ALA 98 Ca 0.03 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1cey h ALA 98 Cb 0.40 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1cey h ALA 98 CO -0.13 -1.20 0.16 0.00 0.00 0.00 0.00 179.25 178.08 1cey h ALA 99 N -1.07 1.35 -0.83 0.00 0.00 -1.49 0.30 119.26 117.54 1cey h ALA 99 Ca -0.10 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.02 1cey h ALA 99 Cb 0.94 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1cey h ALA 99 CO 0.12 -0.19 0.57 0.37 0.00 0.00 0.00 179.25 180.13 1cey h GLN 100 N 0.00 0.18 0.00 0.00 4.15 0.40 2.70 115.11 122.54 1cey h GLN 100 Ca 0.03 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 1cey h GLN 100 Cb 0.34 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1cey h GLN 100 CO -0.00 0.12 -1.19 0.00 -1.93 0.00 0.00 178.83 175.83 1cey n ALA 101 N -2.61 2.25 -2.28 3.38 0.00 0.10 -5.01 120.51 116.33 1cey n ALA 101 Ca 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.23 1cey n ALA 101 Cb 0.77 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 1.28 -0.84 0.00 0.00 0.00 0.90 -4.92 105.19 101.61 1cey n GLY 102 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.17 0.00 -0.10 4.61 0.00 -1.26 -4.96 120.51 117.62 1cey n ALA 103 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 1cey n ALA 103 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N 0.00 1.87 0.00 0.00 7.64 -0.32 -4.77 113.62 118.04 1cey n SER 104 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1cey n SER 104 Cb 0.00 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.44 -0.52 3.05 0.23 0.00 -1.25 -5.02 105.19 103.12 1cey n GLY 105 Ca -0.30 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 1cey n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1cey s TYR 106 N -3.00 0.69 -0.04 1.61 1.13 -1.26 -2.48 117.35 114.00 1cey s TYR 106 Ca 0.00 -0.38 0.00 0.00 -1.41 0.00 0.00 57.07 55.29 1cey s TYR 106 Cb 0.00 -0.42 0.03 0.00 -1.10 0.00 0.00 41.96 40.47 1cey s TYR 106 CO 0.00 -0.05 -0.01 0.54 -2.51 0.00 0.00 175.55 173.53 1cey s VAL 107 N -1.00 0.25 0.55 -3.49 0.11 -1.12 -4.98 120.40 110.72 1cey s VAL 107 Ca -0.05 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 1cey s VAL 107 Cb -0.08 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1cey s VAL 107 CO 0.00 0.17 1.14 0.68 -3.33 0.00 0.00 175.10 173.76 1cey s VAL 108 N 1.10 3.12 0.18 2.04 -7.23 -1.26 -2.18 120.40 116.17 1cey s VAL 108 Ca -0.09 0.70 0.06 0.00 -1.81 0.00 0.00 61.98 60.84 1cey s VAL 108 Cb -0.14 -3.28 -0.05 0.00 0.56 0.00 0.00 36.38 33.48 1cey s VAL 108 CO -0.02 -0.15 -0.10 -1.59 -0.31 0.00 0.00 175.10 172.93 1cey s LYS 109 N -3.28 1.20 -0.05 4.82 -2.85 0.22 -3.67 119.74 116.13 1cey s LYS 109 Ca 0.73 -1.54 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 1cey s LYS 109 Cb -0.24 -0.81 -0.04 0.00 -2.06 0.00 0.00 37.83 34.68 1cey s LYS 109 CO 0.27 0.09 1.33 -1.25 0.10 0.00 0.00 175.35 175.89 1cey s PRO 110 N -3.73 4.29 0.30 1.78 0.05 -1.26 -4.34 135.00 132.09 1cey s PRO 110 Ca 0.21 1.83 -0.03 0.00 0.05 0.00 0.00 61.00 63.06 1cey s PRO 110 Cb 0.02 -3.62 -0.04 0.00 0.05 0.00 0.00 34.50 30.90 1cey s PRO 110 CO 0.04 -0.57 0.54 -0.59 0.05 0.00 0.00 177.00 176.47 1cey s PHE 111 N 2.61 3.49 0.24 0.56 -0.12 -1.24 -5.08 117.98 118.43 1cey s PHE 111 Ca 0.60 0.51 -0.10 0.00 -0.05 0.00 0.00 56.93 57.90 1cey s PHE 111 Cb -0.28 -2.01 -0.07 0.00 -0.63 0.00 0.00 43.02 40.03 1cey s PHE 111 CO 0.23 0.17 0.57 0.99 -0.05 0.00 0.00 175.22 177.13 1cey s THR 112 N -2.15 4.90 0.50 -4.49 2.01 -1.26 -4.84 115.64 110.32 1cey s THR 112 Ca 0.42 0.52 0.33 0.00 0.31 0.00 0.00 61.69 63.27 1cey s THR 112 Cb -0.10 -3.62 0.52 0.00 0.01 0.00 0.00 72.50 69.31 1cey s THR 112 CO 0.32 -0.09 1.76 0.00 -0.69 0.00 0.00 174.62 175.93 1cey h ALA 113 N 2.50 2.92 -0.35 7.40 0.00 -1.98 1.29 119.26 131.04 1cey h ALA 113 Ca -0.47 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1cey h ALA 113 Cb 1.17 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1cey h ALA 113 CO 0.69 -1.32 -0.11 0.00 0.00 0.00 0.00 179.25 178.50 1cey h ALA 114 N 1.45 1.16 0.22 0.00 0.00 -1.97 0.45 119.26 120.57 1cey h ALA 114 Ca 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1cey h ALA 114 Cb 2.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1cey h ALA 114 CO -0.12 0.53 -0.10 1.79 0.00 0.00 0.00 179.25 181.35 1cey h THR 115 N 0.55 0.00 -0.88 0.00 1.35 0.13 0.36 112.91 114.42 1cey h THR 115 Ca 0.10 -0.28 0.19 0.00 -0.55 0.00 0.00 66.41 65.87 1cey h THR 115 Cb 0.52 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 66.87 1cey h THR 115 CO 0.03 0.00 0.59 0.25 -0.25 0.00 0.00 175.52 176.14 1cey h LEU 116 N -0.57 0.41 0.37 3.87 5.85 -1.43 -0.06 115.31 123.75 1cey h LEU 116 Ca -0.03 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1cey h LEU 116 Cb 0.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1cey h LEU 116 CO 0.05 0.17 -0.18 -0.08 -0.34 0.00 0.00 178.44 178.06 1cey h GLU 117 N 0.42 -0.48 -0.95 1.25 4.22 -0.05 -0.17 114.58 118.81 1cey h GLU 117 Ca 0.46 0.03 0.28 0.00 0.08 0.00 0.00 59.36 60.21 1cey h GLU 117 Cb 1.12 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 1cey h GLU 117 CO -0.17 -0.32 0.44 1.49 -2.18 0.00 0.00 179.01 178.26 1cey h GLU 118 N -0.80 0.29 0.00 1.92 4.81 0.15 1.57 114.58 122.52 1cey h GLU 118 Ca -0.05 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1cey h GLU 118 Cb 0.38 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1cey h GLU 118 CO 0.08 0.19 -0.44 0.87 -0.73 0.00 0.00 179.01 178.99 1cey h LYS 119 N 0.30 0.00 0.73 1.92 1.57 -1.00 -3.16 116.57 116.93 1cey h LYS 119 Ca 0.65 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.40 1cey h LYS 119 Cb 1.40 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.72 1cey h LYS 119 CO -0.61 0.44 -0.35 1.25 -0.57 0.00 0.00 179.45 179.61 1cey h LEU 120 N 0.00 -0.82 -1.44 2.94 5.85 0.42 0.16 115.31 122.41 1cey h LEU 120 Ca -0.00 0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.06 1cey h LEU 120 Cb 0.90 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 1cey h LEU 120 CO 0.06 -0.55 0.73 0.78 -0.34 0.00 0.00 178.44 179.12 1cey h ASN 121 N -1.05 0.35 0.76 1.25 -0.26 -1.49 1.27 115.58 116.41 1cey h ASN 121 Ca -0.10 0.09 -0.16 0.00 -0.56 0.00 0.00 56.30 55.57 1cey h ASN 121 Cb 0.75 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 38.02 1cey h ASN 121 CO 0.16 0.02 -0.74 0.50 -1.06 0.00 0.00 177.43 176.31 1cey h LYS 122 N 0.28 0.00 0.07 0.81 3.64 -1.43 -2.84 116.57 117.11 1cey h LYS 122 Ca 0.64 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.73 1cey h LYS 122 Cb 1.83 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 33.67 1cey h LYS 122 CO -0.29 0.74 -1.17 0.82 -2.27 0.00 0.00 179.45 177.28 1cey h ILE 123 N 0.00 1.28 0.00 2.00 1.08 0.44 -3.11 117.51 119.20 1cey h ILE 123 Ca -0.01 -2.37 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1cey h ILE 123 Cb 1.32 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 37.64 1cey h ILE 123 CO 0.10 0.73 0.00 0.49 -0.69 0.00 0.00 178.15 178.77 1cey n PHE 124 N -3.82 0.00 0.09 1.37 3.01 0.85 -2.73 117.46 116.23 1cey n PHE 124 Ca -0.13 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.27 1cey n PHE 124 Cb 0.95 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 40.41 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 0.10 0.00 -1.08 4.22 -1.42 0.24 114.58 116.63 1cey h GLU 125 Ca 0.00 -0.11 -0.16 0.00 0.08 0.00 0.00 59.36 59.17 1cey h GLU 125 Cb 0.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1cey h GLU 125 CO 0.00 0.88 -1.40 1.17 -2.18 0.00 0.00 179.01 177.48 1cey n LYS 126 N -3.62 0.62 0.15 1.92 3.00 -1.11 -3.74 118.16 115.38 1cey n LYS 126 Ca -0.02 0.22 0.03 0.00 -0.00 0.00 0.00 58.31 58.54 1cey n LYS 126 Cb 0.79 -1.81 0.10 0.00 0.00 0.00 0.00 35.03 34.11 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 127 N 0.00 0.00 -2.73 3.14 7.12 -1.46 -3.49 115.31 117.89 1cey h LEU 127 Ca -0.16 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.84 1cey h LEU 127 Cb 1.56 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.69 1cey h LEU 127 CO 0.04 0.50 -0.99 0.61 -0.13 0.00 0.00 178.44 178.47 1cey n GLY 128 N 0.97 -2.17 0.53 3.75 0.00 0.06 -5.07 105.19 103.27 1cey n GLY 128 Ca 0.01 0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.48 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47