#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 -5.06 -1.31 0.00 2.03 -1.26 -4.58 116.55 106.37 1cey n ASP 3 Ca 0.00 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1cey n ASP 3 Cb 0.00 -3.75 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 1cey n ASP 3 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1cey n LYS 4 N 1.60 0.60 -1.65 -0.67 2.85 -1.26 -2.35 118.16 117.27 1cey n LYS 4 Ca -0.15 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.10 1cey n LYS 4 Cb 0.32 -1.20 0.01 0.00 -0.65 0.00 0.00 35.03 33.50 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cey n GLU 5 N 1.14 0.42 -2.06 -1.58 1.02 -1.26 -2.90 120.64 115.43 1cey n GLU 5 Ca 0.00 -1.71 -0.39 0.00 -0.02 0.00 0.00 57.16 55.03 1cey n GLU 5 Cb 0.30 0.04 -0.01 0.00 -0.02 0.00 0.00 31.44 31.75 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cey s LEU 6 N -1.09 4.23 -0.17 -4.62 2.96 -0.99 -4.66 118.68 114.33 1cey s LEU 6 Ca 0.17 2.65 -0.28 0.00 -0.22 0.00 0.00 54.13 56.45 1cey s LEU 6 Cb 0.24 -3.89 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1cey s LEU 6 CO -0.08 -0.82 0.96 -0.54 -1.32 0.00 0.00 176.35 174.54 1cey s LYS 7 N -2.21 4.32 0.18 1.98 1.02 -1.26 -4.41 119.74 119.36 1cey s LYS 7 Ca 0.56 1.26 0.09 0.00 0.02 0.00 0.00 55.97 57.90 1cey s LYS 7 Cb -0.38 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.30 1cey s LYS 7 CO 0.49 -0.43 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.35 1cey s PHE 8 N 2.47 2.67 -0.32 3.18 0.40 -0.57 -0.57 117.98 125.25 1cey s PHE 8 Ca 0.44 -0.21 -0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1cey s PHE 8 Cb -0.17 -1.30 0.10 0.00 0.51 0.00 0.00 43.02 42.16 1cey s PHE 8 CO 0.12 0.52 0.09 -1.17 0.70 0.00 0.00 175.22 175.48 1cey s LEU 9 N -2.87 2.56 -0.50 -0.37 2.96 -0.71 -0.56 118.68 119.19 1cey s LEU 9 Ca 0.26 -1.72 -0.22 0.00 -0.22 0.00 0.00 54.13 52.23 1cey s LEU 9 Cb -0.09 -0.96 0.04 0.00 0.50 0.00 0.00 46.19 45.68 1cey s LEU 9 CO 0.16 -0.41 0.77 0.68 -1.32 0.00 0.00 176.35 176.23 1cey s VAL 10 N 1.51 4.65 -1.13 1.68 -7.23 -0.63 -1.46 120.40 117.79 1cey s VAL 10 Ca 0.10 0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.29 1cey s VAL 10 Cb -0.18 -4.37 0.26 0.00 0.56 0.00 0.00 36.38 32.65 1cey s VAL 10 CO -0.23 -0.87 1.78 0.52 -0.31 0.00 0.00 175.10 175.99 1cey n VAL 11 N 5.96 5.40 0.00 1.32 0.31 -0.99 -2.43 118.33 127.90 1cey n VAL 11 Ca -0.01 -5.48 0.00 0.00 -0.01 0.00 0.00 64.34 58.84 1cey n VAL 11 Cb 0.47 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1cey n VAL 11 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1cey n ASP 12 N 1.39 0.00 0.00 4.52 5.68 -1.26 -4.00 116.55 122.88 1cey n ASP 12 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1cey n ASP 12 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1cey n ASP 12 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1cey n ASP 13 N 0.00 0.00 -4.63 -1.12 -0.08 -1.26 -4.39 116.55 105.07 1cey n ASP 13 Ca 0.00 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 52.94 1cey n ASP 13 Cb 0.00 0.00 0.12 0.00 2.34 0.00 0.00 41.12 43.58 1cey n ASP 13 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1cey n PHE 14 N -0.45 0.62 -0.91 -0.67 3.01 -1.26 -4.86 117.46 112.94 1cey n PHE 14 Ca 0.00 0.38 -0.19 0.00 1.01 0.00 0.00 57.45 58.65 1cey n PHE 14 Cb 0.00 -2.03 0.05 0.00 -0.01 0.00 0.00 39.48 37.49 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1cey n SER 15 N -2.73 6.45 0.00 4.37 2.88 -1.26 -3.80 113.62 119.54 1cey n SER 15 Ca 0.12 -3.15 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 1cey n SER 15 Cb 0.51 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 0.13 0.00 0.05 2.46 5.66 -1.26 -4.97 114.28 116.35 1cey n THR 16 Ca 0.35 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.22 1cey n THR 16 Cb 0.62 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.15 -0.09 1.09 -1.53 -1.95 -3.28 114.93 109.33 1cey h MET 17 Ca 0.00 -0.26 -0.01 0.00 -3.44 0.00 0.00 59.70 55.99 1cey h MET 17 Cb 0.17 0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.31 1cey h MET 17 CO 0.00 0.99 0.00 0.00 0.14 0.00 0.00 176.91 178.04 1cey h ARG 18 N 0.04 0.15 -0.36 0.39 -0.00 -1.93 -2.67 114.38 109.99 1cey h ARG 18 Ca -0.19 -0.05 0.11 0.00 -0.50 0.00 0.00 59.98 59.35 1cey h ARG 18 Cb 1.95 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.90 1cey h ARG 18 CO 0.14 0.41 0.29 -0.09 0.00 0.00 0.00 179.97 180.72 1cey h ARG 19 N -0.13 0.00 0.33 0.04 2.43 -1.95 0.10 114.38 115.21 1cey h ARG 19 Ca 0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1cey h ARG 19 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1cey h ARG 19 CO 0.00 0.00 -0.16 0.82 -1.51 0.00 0.00 179.97 179.12 1cey h ILE 20 N 0.00 0.61 -0.21 1.20 2.04 -1.54 -3.07 117.51 116.55 1cey h ILE 20 Ca 0.17 -0.62 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 1cey h ILE 20 Cb 0.74 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1cey h ILE 20 CO -0.00 0.11 -0.39 -0.37 0.00 0.00 0.00 178.15 177.49 1cey h VAL 21 N -0.83 1.30 -0.17 1.67 -1.51 -1.29 -2.82 116.25 112.60 1cey h VAL 21 Ca -0.05 -1.54 0.05 0.00 -1.23 0.00 0.00 66.70 63.94 1cey h VAL 21 Cb 0.52 1.57 -0.07 0.00 -2.13 0.00 0.00 31.29 31.19 1cey h VAL 21 CO 0.08 0.48 -0.33 0.03 -1.23 0.00 0.00 177.57 176.59 1cey h ARG 22 N 0.39 -0.37 0.70 5.19 3.08 -0.84 0.13 114.38 122.67 1cey h ARG 22 Ca 0.04 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1cey h ARG 22 Cb 0.87 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1cey h ARG 22 CO 0.07 -0.25 -0.43 -0.97 -1.07 0.00 0.00 179.97 177.32 1cey h ASN 23 N -0.38 -1.09 -0.73 7.04 -1.24 -1.52 -0.98 115.58 116.68 1cey h ASN 23 Ca 0.11 0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.24 1cey h ASN 23 Cb 0.55 0.32 -0.09 0.00 0.73 0.00 0.00 38.32 39.83 1cey h ASN 23 CO -0.38 -0.67 -0.44 0.25 -1.29 0.00 0.00 177.43 174.90 1cey h LEU 24 N -1.07 -1.61 -0.68 0.34 6.46 -1.16 0.55 115.31 118.14 1cey h LEU 24 Ca -0.09 0.24 0.11 0.00 -0.12 0.00 0.00 57.88 58.03 1cey h LEU 24 Cb 0.86 0.71 -0.08 0.00 -0.73 0.00 0.00 40.66 41.42 1cey h LEU 24 CO 0.09 -0.18 0.27 -0.07 -0.62 0.00 0.00 178.44 177.93 1cey h LEU 25 N -0.01 0.26 -0.77 2.25 3.38 -0.64 0.12 115.31 119.90 1cey h LEU 25 Ca 0.12 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.27 1cey h LEU 25 Cb 0.31 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 1cey h LEU 25 CO -0.69 0.13 0.42 0.11 0.09 0.00 0.00 178.44 178.50 1cey h LYS 26 N 0.44 0.69 0.00 1.13 6.56 0.13 0.31 116.57 125.83 1cey h LYS 26 Ca 0.36 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1cey h LYS 26 Cb 0.48 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1cey h LYS 26 CO -0.35 0.46 0.13 1.49 -2.06 0.00 0.00 179.45 179.12 1cey h GLU 27 N 0.71 0.00 -0.01 3.15 4.57 0.15 0.24 114.58 123.40 1cey h GLU 27 Ca 0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1cey h GLU 27 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1cey h GLU 27 CO -0.25 0.00 -0.70 1.28 -1.18 0.00 0.00 179.01 178.16 1cey n LEU 28 N -2.90 1.58 -0.65 1.64 4.77 0.10 -5.00 117.00 116.55 1cey n LEU 28 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1cey n LEU 28 Cb 0.19 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1cey n LEU 28 CO 0.16 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1cey n GLY 29 N 1.45 0.31 2.85 -0.72 0.00 0.85 -4.98 105.19 104.95 1cey n GLY 29 Ca 0.07 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.18 -0.79 -0.88 1.61 0.08 -1.20 -3.98 117.98 110.64 1cey s PHE 30 Ca 0.00 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1cey s PHE 30 Cb 0.00 -0.27 0.30 0.00 -0.57 0.00 0.00 43.02 42.47 1cey s PHE 30 CO 0.00 -0.95 1.25 0.09 -0.10 0.00 0.00 175.22 175.50 1cey n ASN 31 N 5.34 5.54 -2.95 1.36 4.13 -1.14 -4.29 115.26 123.24 1cey n ASN 31 Ca -0.01 -3.50 0.03 0.00 1.68 0.00 0.00 54.58 52.79 1cey n ASN 31 Cb 0.48 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1cey s ASN 32 N -2.14 -0.54 -0.04 6.41 3.84 -1.26 -4.92 114.94 116.29 1cey s ASN 32 Ca 0.37 -0.15 -0.15 0.00 0.21 0.00 0.00 52.86 53.13 1cey s ASN 32 Cb 0.13 0.91 0.03 0.00 -0.55 0.00 0.00 41.25 41.77 1cey s ASN 32 CO 0.01 -0.07 0.34 0.54 -2.79 0.00 0.00 177.10 175.13 1cey s VAL 33 N 2.29 0.04 0.26 -5.21 0.11 -1.26 -1.51 120.40 115.12 1cey s VAL 33 Ca 0.18 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1cey s VAL 33 Cb 0.00 -0.61 -0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1cey s VAL 33 CO -0.17 -0.19 0.02 -0.62 -3.33 0.00 0.00 175.10 170.81 1cey n GLU 34 N 1.61 1.15 -3.85 1.54 -0.58 0.27 -4.93 120.64 115.86 1cey n GLU 34 Ca -0.20 -2.00 -0.09 0.00 -0.42 0.00 0.00 57.16 54.46 1cey n GLU 34 Cb 0.56 0.69 -0.07 0.00 -0.57 0.00 0.00 31.44 32.05 1cey n GLU 34 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 1cey s GLU 35 N -2.96 0.93 0.00 3.49 4.04 -1.26 -1.60 118.70 121.33 1cey s GLU 35 Ca 0.03 -0.97 0.00 0.00 0.04 0.00 0.00 54.97 54.07 1cey s GLU 35 Cb 0.00 0.36 0.00 0.00 0.02 0.00 0.00 34.13 34.51 1cey s GLU 35 CO 0.02 -0.31 0.00 0.00 -1.84 0.00 0.00 175.26 173.13 1cey n ALA 36 N -0.11 0.00 -0.57 -0.84 0.00 -1.02 -4.93 120.51 113.04 1cey n ALA 36 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1cey n ALA 36 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.01 -3.37 0.00 1.02 -1.26 -4.01 120.64 113.03 1cey n GLU 37 Ca 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 1cey n GLU 37 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.06 0.00 0.12 1.62 5.68 -1.26 -4.88 116.55 117.76 1cey n ASP 38 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 1cey n ASP 38 Cb 0.21 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.32 1cey n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cey h GLY 39 N 0.00 0.09 1.41 6.12 0.00 -1.91 -0.54 103.07 108.24 1cey h GLY 39 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1cey h GLY 39 CO 0.00 0.10 0.04 -2.08 0.00 0.00 0.00 176.54 174.60 1cey h VAL 40 N 0.06 1.23 -0.01 4.60 2.07 -1.94 0.22 116.25 122.48 1cey h VAL 40 Ca -0.01 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1cey h VAL 40 Cb 1.16 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1cey h VAL 40 CO 0.09 0.32 -0.32 -0.78 0.02 0.00 0.00 177.57 176.89 1cey h ASP 41 N 0.69 0.30 0.50 0.57 1.82 -1.85 -2.80 116.42 115.64 1cey h ASP 41 Ca 0.14 -0.76 -0.02 0.00 -0.39 0.00 0.00 57.03 56.00 1cey h ASP 41 Cb 0.37 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1cey h ASP 41 CO 0.01 1.02 -0.24 0.00 -1.61 0.00 0.00 179.24 178.42 1cey h ALA 42 N 0.29 -0.67 -0.61 -0.78 0.00 -0.90 0.42 119.26 117.00 1cey h ALA 42 Ca -0.04 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1cey h ALA 42 Cb 1.06 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1cey h ALA 42 CO 0.06 -0.87 -0.12 1.25 0.00 0.00 0.00 179.25 179.57 1cey h LEU 43 N -0.68 -0.50 -0.95 0.00 6.46 -0.66 2.57 115.31 121.55 1cey h LEU 43 Ca -0.07 0.18 -0.10 0.00 -0.12 0.00 0.00 57.88 57.77 1cey h LEU 43 Cb 0.52 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 1cey h LEU 43 CO 0.11 -0.18 -0.26 0.78 -0.62 0.00 0.00 178.44 178.27 1cey h ASN 44 N 0.02 0.46 0.25 1.25 2.35 -1.20 -2.65 115.58 116.07 1cey h ASN 44 Ca 0.30 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1cey h ASN 44 Cb 0.47 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1cey h ASN 44 CO -0.61 0.72 -0.25 0.29 -1.65 0.00 0.00 177.43 175.93 1cey n LYS 45 N -4.12 0.82 0.16 0.81 4.76 0.15 -3.85 118.16 116.90 1cey n LYS 45 Ca -0.00 -0.48 0.02 0.00 -2.87 0.00 0.00 58.31 54.98 1cey n LYS 45 Cb 0.41 -1.49 0.24 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.16 0.00 0.00 -0.35 7.12 0.47 -2.51 115.31 121.20 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 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1cey h LEU 46 CO 0.00 0.50 0.00 1.67 -0.13 0.00 0.00 178.44 180.48 1cey n GLN 47 N -3.63 0.42 0.00 1.25 7.27 -1.25 -4.00 117.38 117.45 1cey n GLN 47 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 1cey n GLN 47 Cb 0.57 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.76 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cey n ALA 48 N -0.97 -0.03 0.04 1.69 0.00 -0.95 -4.87 120.51 115.42 1cey n ALA 48 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1cey n ALA 48 Cb 0.04 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.89 -0.58 2.66 0.00 0.00 -1.26 -5.08 105.19 100.04 1cey n GLY 49 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 0.84 -1.94 3.49 -0.02 0.00 -1.26 -5.09 105.19 101.22 1cey n GLY 50 Ca 0.00 1.09 -0.42 0.00 0.00 0.00 0.00 46.02 46.69 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 1.37 0.98 0.95 1.61 4.01 -1.26 -4.67 117.16 120.15 1cey n TYR 51 Ca -0.01 0.32 0.01 0.00 -0.16 0.00 0.00 57.90 58.06 1cey n TYR 51 Cb 0.72 -2.47 0.05 0.00 -0.31 0.00 0.00 39.34 37.33 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 6.44 -0.48 3.60 2.72 0.00 -1.03 -4.66 105.19 111.78 1cey n GLY 52 Ca 0.54 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.37 -0.11 1.61 2.19 0.26 -3.96 117.98 115.61 1cey s PHE 53 Ca 0.02 0.74 -0.04 0.00 0.33 0.00 0.00 56.93 57.98 1cey s PHE 53 Cb 0.01 0.43 0.06 0.00 -1.31 0.00 0.00 43.02 42.20 1cey s PHE 53 CO 0.02 -0.28 0.22 0.08 1.83 0.00 0.00 175.22 177.09 1cey s VAL 54 N -0.65 -0.33 -0.73 3.12 1.01 -0.91 -1.74 120.40 120.16 1cey s VAL 54 Ca 0.01 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 1cey s VAL 54 Cb -0.02 -0.37 0.19 0.00 0.00 0.00 0.00 36.38 36.18 1cey s VAL 54 CO -0.02 0.13 0.66 -0.63 0.00 0.00 0.00 175.10 175.24 1cey s ILE 55 N 2.31 5.30 0.11 2.22 1.01 -0.53 -0.53 121.20 131.08 1cey s ILE 55 Ca 0.02 -2.28 -0.01 0.00 0.00 0.00 0.00 60.65 58.38 1cey s ILE 55 Cb -0.12 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1cey s ILE 55 CO -0.07 -0.97 0.28 -0.94 0.00 0.00 0.00 174.94 173.24 1cey s SER 56 N 2.36 6.39 0.00 3.58 1.04 -1.16 -2.36 113.70 123.55 1cey s SER 56 Ca 0.14 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1cey s SER 56 Cb -0.16 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1cey s SER 56 CO -0.06 0.10 0.00 -0.90 0.98 0.00 0.00 173.24 173.37 1cey n ASP 57 N 0.01 0.00 -3.46 7.02 5.75 -1.26 0.78 116.55 125.39 1cey n ASP 57 Ca -0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.59 1cey n ASP 57 Cb 0.52 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1cey s TRP 58 N 0.55 1.10 -1.03 2.11 -0.11 -1.25 -3.61 118.94 116.71 1cey s TRP 58 Ca 0.00 -1.30 -0.18 0.00 1.22 0.00 0.00 56.10 55.84 1cey s TRP 58 Cb 0.00 -0.21 -0.08 0.00 -1.50 0.00 0.00 33.47 31.68 1cey s TRP 58 CO 0.00 -1.02 2.06 0.27 -4.62 0.00 0.00 176.95 173.64 1cey n ASN 59 N -1.18 3.23 -0.02 5.86 6.94 -1.23 -4.59 115.26 124.27 1cey n ASN 59 Ca 0.02 -2.71 -0.16 0.00 -0.02 0.00 0.00 54.58 51.70 1cey n ASN 59 Cb 0.62 -1.31 -0.13 0.00 -2.36 0.00 0.00 39.78 36.60 1cey n ASN 59 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 1cey h MET 60 N 7.11 0.14 0.08 -3.83 4.05 -1.96 -3.39 114.93 117.13 1cey h MET 60 Ca 0.49 -0.22 -0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1cey h MET 60 Cb 0.63 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1cey h MET 60 CO 1.91 1.08 -0.04 -1.00 0.23 0.00 0.00 176.91 179.09 1cey h PRO 61 N -0.68 -0.10 0.00 0.39 0.14 -1.94 -3.50 132.00 126.31 1cey h PRO 61 Ca -0.06 0.01 0.00 0.00 0.14 0.00 0.00 66.00 66.09 1cey h PRO 61 Cb 1.24 0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.40 1cey h PRO 61 CO 0.07 -0.07 0.00 0.27 0.14 0.00 0.00 178.00 178.41 1cey n ASN 62 N -2.42 0.00 -4.48 1.44 2.04 -1.26 -5.06 115.26 105.52 1cey n ASN 62 Ca -0.01 0.00 -0.43 0.00 -0.44 0.00 0.00 54.58 53.70 1cey n ASN 62 Cb 0.04 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.26 1cey n ASN 62 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1cey s MET 63 N 3.62 3.32 0.28 -3.83 -1.94 -1.26 -4.70 119.30 114.79 1cey s MET 63 Ca 0.00 -1.04 -0.21 0.00 -1.71 0.00 0.00 55.69 52.73 1cey s MET 63 Cb 0.00 -4.56 0.03 0.00 2.01 0.00 0.00 34.83 32.31 1cey s MET 63 CO 0.00 -1.90 0.77 -0.51 -0.01 0.00 0.00 175.02 173.37 1cey s ASP 64 N 3.85 -0.20 0.00 3.03 1.01 -1.26 -4.81 116.67 118.30 1cey s ASP 64 Ca 0.30 -0.68 0.00 0.00 0.71 0.00 0.00 52.55 52.88 1cey s ASP 64 Cb -0.10 0.72 0.00 0.00 1.01 0.00 0.00 42.92 44.55 1cey s ASP 64 CO 0.03 -1.35 0.00 0.61 0.21 0.00 0.00 175.17 174.67 1cey n GLY 65 N -0.48 1.22 0.07 0.21 0.00 -1.26 -3.58 105.19 101.36 1cey n GLY 65 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.02 -0.63 0.99 5.85 -1.93 -2.79 115.31 116.78 1cey h LEU 66 Ca 0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1cey h LEU 66 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1cey h LEU 66 CO 0.00 0.67 0.00 1.21 -0.34 0.00 0.00 178.44 179.98 1cey n GLU 67 N -4.77 0.21 0.23 1.25 2.13 -1.26 -2.48 120.64 115.95 1cey n GLU 67 Ca -0.09 0.40 -0.12 0.00 0.66 0.00 0.00 57.16 58.01 1cey n GLU 67 Cb 0.34 -1.87 -0.06 0.00 0.27 0.00 0.00 31.44 30.11 1cey n GLU 67 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1cey h LEU 68 N 0.00 -0.54 -1.42 4.31 3.38 -1.78 0.15 115.31 119.40 1cey h LEU 68 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1cey h LEU 68 Cb 0.41 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1cey h LEU 68 CO 0.00 -0.13 0.21 0.17 0.09 0.00 0.00 178.44 178.78 1cey h LEU 69 N -1.07 0.54 -0.62 1.67 8.10 -1.43 0.16 115.31 122.66 1cey h LEU 69 Ca -0.07 -0.04 -0.13 0.00 0.11 0.00 0.00 57.88 57.75 1cey h LEU 69 Cb 0.57 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 1cey h LEU 69 CO 0.11 0.46 -0.28 0.50 -4.11 0.00 0.00 178.44 175.12 1cey h LYS 70 N 0.61 0.79 -0.07 0.17 3.64 -1.44 0.27 116.57 120.54 1cey h LYS 70 Ca 0.15 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 1cey h LYS 70 Cb 0.06 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1cey h LYS 70 CO -0.02 0.97 -0.04 1.15 -2.27 0.00 0.00 179.45 179.24 1cey h THR 71 N 0.68 1.33 0.00 1.00 2.02 0.47 0.76 112.91 119.17 1cey h THR 71 Ca 0.08 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 1cey h THR 71 Cb 0.81 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1cey h THR 71 CO 0.07 0.30 -0.06 0.40 0.37 0.00 0.00 175.52 176.59 1cey h ILE 72 N -0.23 0.64 0.00 3.11 2.04 -0.64 -1.99 117.51 120.44 1cey h ILE 72 Ca 0.02 -0.25 -0.27 0.00 1.00 0.00 0.00 64.86 65.35 1cey h ILE 72 Cb 0.49 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1cey h ILE 72 CO 0.01 0.06 -1.65 -1.14 0.00 0.00 0.00 178.15 175.43 1cey n ARG 73 N -3.87 0.63 -0.11 2.37 3.00 0.08 -3.76 116.66 114.99 1cey n ARG 73 Ca -0.03 0.29 -0.09 0.00 -0.00 0.00 0.00 57.85 58.03 1cey n ARG 73 Cb 0.15 -1.80 0.07 0.00 0.00 0.00 0.00 32.46 30.88 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey h ALA 74 N 1.07 0.83 -2.59 5.13 0.00 0.13 -3.44 119.26 120.39 1cey h ALA 74 Ca -0.26 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1cey h ALA 74 Cb 1.94 -0.16 0.08 0.00 0.00 0.00 0.00 17.79 19.65 1cey h ALA 74 CO 0.07 0.64 -0.07 -0.25 0.00 0.00 0.00 179.25 179.65 1cey n ASP 75 N -4.12 -2.55 0.00 0.00 8.00 -0.94 -5.00 116.55 111.93 1cey n ASP 75 Ca 0.00 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1cey n ASP 75 Cb 0.43 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cey n GLY 76 N -1.63 0.15 2.21 0.44 0.00 -1.26 -4.57 105.19 100.52 1cey n GLY 76 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.30 6.91 -0.87 4.61 0.00 -1.26 -3.65 120.51 124.95 1cey n ALA 77 Ca 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 53.44 50.61 1cey n ALA 77 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.68 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 2.72 -0.03 -2.24 0.00 2.00 -1.26 -4.89 117.12 113.42 1cey n MET 78 Ca 0.60 -0.18 -0.40 0.00 0.00 0.00 0.00 57.70 57.72 1cey n MET 78 Cb 0.55 -0.57 0.01 0.00 0.00 0.00 0.00 33.22 33.21 1cey n MET 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1cey n SER 79 N -0.01 7.79 0.00 7.83 7.64 -1.24 -4.16 113.62 131.47 1cey n SER 79 Ca 0.00 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1cey n SER 79 Cb 0.27 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N 1.02 0.57 -2.14 -0.43 0.00 -1.26 -5.07 120.51 113.21 1cey n ALA 80 Ca 0.56 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 1cey n ALA 80 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.29 4.20 -0.29 0.00 1.43 -1.26 -4.91 118.68 116.56 1cey s LEU 81 Ca 0.00 1.97 -0.28 0.00 -1.03 0.00 0.00 54.13 54.79 1cey s LEU 81 Cb 0.00 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 1cey s LEU 81 CO 0.00 -0.95 2.27 -2.65 0.23 0.00 0.00 176.35 175.25 1cey n PRO 82 N 7.11 1.70 -3.44 1.29 -0.01 -1.25 -4.89 135.00 135.51 1cey n PRO 82 Ca 0.17 0.40 -0.41 0.00 -0.01 0.00 0.00 63.50 63.65 1cey n PRO 82 Cb 0.44 -3.23 -0.10 0.00 -0.01 0.00 0.00 33.50 30.60 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1cey s VAL 83 N 9.13 5.21 -0.53 -1.45 1.01 -1.26 -2.15 120.40 130.35 1cey s VAL 83 Ca 1.01 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 62.59 1cey s VAL 83 Cb -0.34 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.29 1cey s VAL 83 CO 0.34 -0.15 0.61 -0.22 0.00 0.00 0.00 175.10 175.67 1cey s LEU 84 N 1.89 5.32 0.27 3.92 1.98 0.30 -1.86 118.68 130.50 1cey s LEU 84 Ca 0.09 -1.23 -0.29 0.00 -2.89 0.00 0.00 54.13 49.80 1cey s LEU 84 Cb -0.17 -2.34 -0.10 0.00 0.66 0.00 0.00 46.19 44.24 1cey s LEU 84 CO 0.11 -0.93 1.29 -0.32 -1.89 0.00 0.00 176.35 174.61 1cey s MET 85 N 2.41 4.40 0.09 1.98 -2.45 -0.88 -3.01 119.30 121.84 1cey s MET 85 Ca 0.11 2.11 0.09 0.00 -1.25 0.00 0.00 55.69 56.75 1cey s MET 85 Cb -0.23 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.69 1cey s MET 85 CO 0.08 -0.17 -0.24 0.08 1.05 0.00 0.00 175.02 175.83 1cey s VAL 86 N -0.65 1.94 -0.03 10.11 1.01 0.23 -2.19 120.40 130.82 1cey s VAL 86 Ca 0.52 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.82 1cey s VAL 86 Cb -0.38 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1cey s VAL 86 CO 0.46 0.10 0.33 0.28 0.00 0.00 0.00 175.10 176.26 1cey s THR 87 N -1.01 0.05 -0.18 3.92 -1.32 -1.06 -3.83 115.64 112.20 1cey s THR 87 Ca 0.10 -0.39 -0.15 0.00 -1.21 0.00 0.00 61.69 60.04 1cey s THR 87 Cb -0.10 -0.61 -0.21 0.00 -1.51 0.00 0.00 72.50 70.07 1cey s THR 87 CO 0.04 -0.22 0.22 0.00 -2.21 0.00 0.00 174.62 172.45 1cey n ALA 88 N 1.48 0.87 -1.28 11.08 0.00 -1.26 -1.28 120.51 130.12 1cey n ALA 88 Ca -0.20 -0.59 -0.27 0.00 0.00 0.00 0.00 53.44 52.39 1cey n ALA 88 Cb 0.56 -0.55 0.02 0.00 0.00 0.00 0.00 19.45 19.49 1cey n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 89 N -4.03 2.29 -1.51 0.00 1.02 -1.26 -4.64 120.64 112.51 1cey n GLU 89 Ca -0.34 -2.42 -0.28 0.00 -0.02 0.00 0.00 57.16 54.09 1cey n GLU 89 Cb 0.84 -1.99 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 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 0.06 0.74 -2.64 0.62 0.00 -1.26 -4.86 120.51 113.17 1cey n ALA 90 Ca 0.46 -0.72 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1cey n ALA 90 Cb 0.55 -2.53 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 1cey n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cey s LYS 91 N 7.98 3.71 0.45 0.00 1.02 -1.26 -4.85 119.74 126.79 1cey s LYS 91 Ca 1.26 0.12 0.11 0.00 0.02 0.00 0.00 55.97 57.49 1cey s LYS 91 Cb -0.85 -3.08 0.62 0.00 -0.52 0.00 0.00 37.83 34.01 1cey s LYS 91 CO 0.46 0.63 1.25 0.87 -0.92 0.00 0.00 175.35 177.64 1cey h LYS 92 N 4.09 0.00 0.06 1.68 1.57 -1.99 0.46 116.57 122.44 1cey h LYS 92 Ca -0.50 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 57.98 1cey h LYS 92 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1cey h LYS 92 CO 0.65 0.00 -1.60 0.39 -0.57 0.00 0.00 179.45 178.31 1cey n GLU 93 N -2.22 0.65 0.07 3.15 -0.58 -1.26 -3.89 120.64 116.56 1cey n GLU 93 Ca -0.01 0.43 0.13 0.00 -0.42 0.00 0.00 57.16 57.30 1cey n GLU 93 Cb 0.54 -1.73 0.37 0.00 -0.57 0.00 0.00 31.44 30.05 1cey n GLU 93 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1cey n ASN 94 N -4.01 0.64 -0.03 1.62 5.15 0.71 -2.94 115.26 116.40 1cey n ASN 94 Ca -0.32 0.39 -0.15 0.00 -0.60 0.00 0.00 54.58 53.90 1cey n ASN 94 Cb 0.85 -0.44 -0.10 0.00 -0.53 0.00 0.00 39.78 39.56 1cey n ASN 94 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1cey h ILE 95 N 0.00 1.46 0.00 -1.44 2.04 -0.42 -3.01 117.51 116.14 1cey h ILE 95 Ca 0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1cey h ILE 95 Cb 0.69 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1cey h ILE 95 CO 0.00 0.49 0.00 -0.38 0.00 0.00 0.00 178.15 178.26 1cey n ILE 96 N -4.49 0.71 -0.17 -0.67 5.41 -1.24 -3.20 119.36 115.70 1cey n ILE 96 Ca -0.09 -0.01 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 1cey n ILE 96 Cb 0.47 -0.89 0.01 0.00 -0.71 0.00 0.00 39.64 38.52 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 2.39 0.63 0.49 -1.39 0.00 -1.41 0.73 119.26 120.70 1cey h ALA 97 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1cey h ALA 97 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1cey h ALA 97 CO 0.00 0.27 -0.23 0.00 0.00 0.00 0.00 179.25 179.29 1cey h ALA 98 N 1.01 -0.65 -0.15 0.00 0.00 -1.58 -2.87 119.26 115.01 1cey h ALA 98 Ca 0.16 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cey h ALA 98 Cb 0.25 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1cey h ALA 98 CO -0.01 -0.66 0.16 0.00 0.00 0.00 0.00 179.25 178.74 1cey h ALA 99 N -0.89 1.79 -0.73 0.00 0.00 -1.60 0.56 119.26 118.38 1cey h ALA 99 Ca -0.07 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.01 1cey h ALA 99 Cb 0.58 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1cey h ALA 99 CO 0.11 -0.23 0.50 1.96 0.00 0.00 0.00 179.25 181.59 1cey h GLN 100 N 0.00 0.22 0.00 0.00 4.20 0.73 2.87 115.11 123.13 1cey h GLN 100 Ca 0.07 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 1cey h GLN 100 Cb 0.39 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1cey h GLN 100 CO -0.00 0.15 -1.17 0.00 -0.67 0.00 0.00 178.83 177.13 1cey h ALA 101 N 1.65 0.49 -3.59 3.87 0.00 0.05 -3.49 119.26 118.24 1cey h ALA 101 Ca 0.36 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1cey h ALA 101 Cb 1.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1cey h ALA 101 CO -0.08 1.30 -0.00 0.41 0.00 0.00 0.00 179.25 180.88 1cey n GLY 102 N 1.40 -0.53 0.00 0.00 0.00 0.96 -4.95 105.19 102.06 1cey n GLY 102 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.19 0.00 -0.11 4.61 0.00 -1.26 -4.96 120.51 117.60 1cey n ALA 103 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 103 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.84 1cey n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1cey n SER 104 N 0.00 1.88 0.00 0.00 3.41 -0.78 -4.85 113.62 113.28 1cey n SER 104 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1cey n SER 104 Cb 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cey n GLY 105 N 1.42 -1.23 3.15 5.00 0.00 -1.24 -5.00 105.19 107.28 1cey n GLY 105 Ca -0.36 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 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 1.08 -0.06 1.61 5.04 -1.26 -2.08 117.35 118.68 1cey s TYR 106 Ca 0.00 -0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 54.08 1cey s TYR 106 Cb 0.00 -0.61 0.03 0.00 0.35 0.00 0.00 41.96 41.73 1cey s TYR 106 CO 0.00 0.02 0.15 0.54 -1.34 0.00 0.00 175.55 174.93 1cey s VAL 107 N -1.55 -0.02 0.56 3.14 0.11 -0.93 -4.98 120.40 116.73 1cey s VAL 107 Ca -0.02 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 1cey s VAL 107 Cb -0.08 -0.24 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 1cey s VAL 107 CO 0.01 0.03 0.99 0.54 -3.33 0.00 0.00 175.10 173.35 1cey s VAL 108 N 0.55 4.64 0.16 2.04 0.11 -1.26 -2.56 120.40 124.08 1cey s VAL 108 Ca -0.04 1.01 0.05 0.00 -2.93 0.00 0.00 61.98 60.07 1cey s VAL 108 Cb -0.05 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 1cey s VAL 108 CO -0.03 -0.90 -0.11 -1.59 -3.33 0.00 0.00 175.10 169.15 1cey s LYS 109 N -4.59 1.12 0.06 1.54 -2.85 -0.41 -3.79 119.74 110.82 1cey s LYS 109 Ca 0.56 -1.48 -0.31 0.00 -1.00 0.00 0.00 55.97 53.75 1cey s LYS 109 Cb -0.10 -0.71 -0.05 0.00 -2.06 0.00 0.00 37.83 34.90 1cey s LYS 109 CO 0.42 0.09 1.19 -1.25 0.10 0.00 0.00 175.35 175.90 1cey s PRO 110 N -3.73 4.44 0.74 1.78 0.05 -1.26 -4.54 135.00 132.47 1cey s PRO 110 Ca 0.18 1.75 -0.03 0.00 0.05 0.00 0.00 61.00 62.95 1cey s PRO 110 Cb 0.02 -3.36 0.15 0.00 0.05 0.00 0.00 34.50 31.37 1cey s PRO 110 CO 0.02 -0.25 1.01 1.97 0.05 0.00 0.00 177.00 179.80 1cey n PHE 111 N 3.94 -3.17 -4.40 0.56 1.16 -1.25 -5.09 117.46 109.20 1cey n PHE 111 Ca 0.09 -1.55 -0.32 0.00 -1.87 0.00 0.00 57.45 53.80 1cey n PHE 111 Cb 0.47 -0.75 -0.10 0.00 -1.61 0.00 0.00 39.48 37.49 1cey n PHE 111 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1cey s THR 112 N -3.08 3.70 0.07 1.97 2.01 -1.26 -4.93 115.64 114.12 1cey s THR 112 Ca 0.64 -0.81 0.11 0.00 0.31 0.00 0.00 61.69 61.94 1cey s THR 112 Cb -0.03 -2.63 0.11 0.00 0.01 0.00 0.00 72.50 69.95 1cey s THR 112 CO 0.43 0.35 1.20 0.00 -0.69 0.00 0.00 174.62 175.91 1cey n ALA 113 N 1.41 0.51 0.08 7.40 0.00 -1.26 0.20 120.51 128.85 1cey n ALA 113 Ca -0.15 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 113 Cb 0.52 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 1cey n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cey h ALA 114 N 0.98 0.17 0.41 0.00 0.00 -1.98 -2.29 119.26 116.56 1cey h ALA 114 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1cey h ALA 114 Cb 0.76 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1cey h ALA 114 CO 0.00 1.04 -0.20 1.15 0.00 0.00 0.00 179.25 181.24 1cey h THR 115 N 0.08 0.00 -0.96 0.00 2.02 0.19 0.66 112.91 114.90 1cey h THR 115 Ca -0.24 -0.57 0.20 0.00 0.77 0.00 0.00 66.41 66.58 1cey h THR 115 Cb 2.04 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 68.34 1cey h THR 115 CO 0.19 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.55 1cey h LEU 116 N -1.12 0.64 0.44 2.58 3.38 -1.49 -0.31 115.31 119.43 1cey h LEU 116 Ca -0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cey h LEU 116 Cb 0.42 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1cey h LEU 116 CO 0.09 0.17 -0.23 -0.08 0.09 0.00 0.00 178.44 178.48 1cey h GLU 117 N 0.63 -0.60 -0.57 1.13 4.22 -1.34 -0.43 114.58 117.62 1cey h GLU 117 Ca 0.58 0.04 0.11 0.00 0.08 0.00 0.00 59.36 60.17 1cey h GLU 117 Cb 0.98 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.26 1cey h GLU 117 CO -0.43 -0.40 -0.22 1.49 -2.18 0.00 0.00 179.01 177.27 1cey h GLU 118 N -0.63 -0.08 -0.99 1.92 4.57 0.83 0.25 114.58 120.46 1cey h GLU 118 Ca -0.06 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1cey h GLU 118 Cb 0.50 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.05 1cey h GLU 118 CO 0.08 -0.05 0.65 -0.22 -1.18 0.00 0.00 179.01 178.29 1cey h LYS 119 N -0.08 1.28 0.06 1.92 1.63 -1.05 -2.03 116.57 118.31 1cey h LYS 119 Ca 0.26 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1cey h LYS 119 Cb 0.49 -0.29 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1cey h LYS 119 CO -0.62 0.85 -0.08 1.25 -3.45 0.00 0.00 179.45 177.39 1cey h LEU 120 N 1.32 -0.23 -0.73 5.20 5.85 0.12 -1.33 115.31 125.51 1cey h LEU 120 Ca 0.37 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.27 1cey h LEU 120 Cb -0.11 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 40.87 1cey h LEU 120 CO -0.09 -0.10 -0.03 -1.13 -0.34 0.00 0.00 178.44 176.75 1cey h ASN 121 N -0.15 -0.39 -0.97 1.25 -0.73 -1.33 0.70 115.58 113.95 1cey h ASN 121 Ca -0.01 0.19 0.26 0.00 1.87 0.00 0.00 56.30 58.61 1cey h ASN 121 Cb 0.13 0.35 -0.13 0.00 0.27 0.00 0.00 38.32 38.94 1cey h ASN 121 CO -0.02 -0.18 0.53 0.50 -0.37 0.00 0.00 177.43 177.88 1cey h LYS 122 N 0.08 0.44 0.00 6.67 3.64 -0.94 0.49 116.57 126.95 1cey h LYS 122 Ca 0.39 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1cey h LYS 122 Cb 0.66 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1cey h LYS 122 CO -0.66 0.29 -0.11 0.82 -2.27 0.00 0.00 179.45 177.53 1cey h ILE 123 N 0.46 0.09 0.00 2.00 2.04 0.13 -3.29 117.51 118.94 1cey h ILE 123 Ca 0.65 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1cey h ILE 123 Cb 1.30 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1cey h ILE 123 CO -0.53 0.03 0.00 0.49 0.00 0.00 0.00 178.15 178.14 1cey n PHE 124 N -4.74 0.00 0.16 1.37 3.01 0.13 -0.30 117.46 117.09 1cey n PHE 124 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 1cey n PHE 124 Cb 0.08 0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.77 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 0.00 0.04 -1.08 4.81 -0.11 0.50 114.58 118.75 1cey h GLU 125 Ca 0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1cey h GLU 125 Cb 0.00 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1cey h GLU 125 CO 0.00 0.50 -2.00 1.63 -0.73 0.00 0.00 179.01 178.41 1cey n LYS 126 N -3.55 0.69 0.23 1.92 4.01 0.59 -3.88 118.16 118.17 1cey n LYS 126 Ca -0.00 0.22 0.12 0.00 -0.51 0.00 0.00 58.31 58.14 1cey n LYS 126 Cb 0.60 -1.69 0.48 0.00 -0.51 0.00 0.00 35.03 33.90 1cey n LYS 126 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1cey h LEU 127 N 0.03 0.00 -3.01 -0.35 5.85 -1.42 -3.48 115.31 112.93 1cey h LEU 127 Ca -0.41 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1cey h LEU 127 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1cey h LEU 127 CO 0.06 0.15 -1.00 0.61 -0.34 0.00 0.00 178.44 177.92 1cey n GLY 128 N 0.26 -1.26 0.00 3.75 0.00 0.17 -5.05 105.19 103.06 1cey n GLY 128 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35