#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -8.52 -1.08 0.00 2.03 -1.26 -4.57 116.55 103.15 1cey n ASP 3 Ca 0.00 1.20 0.04 0.00 0.52 0.00 0.00 54.79 56.55 1cey n ASP 3 Cb 0.00 -4.48 0.20 0.00 -0.72 0.00 0.00 41.12 36.12 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1cey n LYS 4 N -0.14 2.70 -2.71 -0.67 5.02 -1.26 -4.15 118.16 116.95 1cey n LYS 4 Ca 0.00 -1.53 -0.03 0.00 -2.02 0.00 0.00 58.31 54.72 1cey n LYS 4 Cb 0.00 -1.74 0.10 0.00 -0.02 0.00 0.00 35.03 33.38 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1cey n GLU 5 N 0.39 1.39 -2.09 1.97 0.28 -1.25 -3.42 120.64 117.90 1cey n GLU 5 Ca 0.14 -1.94 -0.40 0.00 -0.16 0.00 0.00 57.16 54.80 1cey n GLU 5 Cb 0.63 -0.19 -0.01 0.00 1.43 0.00 0.00 31.44 33.30 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cey s LEU 6 N -3.79 4.28 0.05 -1.84 2.96 -1.26 -4.75 118.68 114.33 1cey s LEU 6 Ca 0.17 2.64 -0.30 0.00 -0.22 0.00 0.00 54.13 56.42 1cey s LEU 6 Cb 0.42 -3.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1cey s LEU 6 CO -0.09 -0.74 1.04 -0.54 -1.32 0.00 0.00 176.35 174.70 1cey s LYS 7 N -2.11 4.56 0.07 1.98 1.02 -1.26 -4.56 119.74 119.44 1cey s LYS 7 Ca 0.54 1.54 0.08 0.00 0.02 0.00 0.00 55.97 58.16 1cey s LYS 7 Cb -0.38 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1cey s LYS 7 CO 0.49 -0.04 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.60 1cey s PHE 8 N 0.73 1.92 -0.20 3.18 0.40 -0.79 -0.96 117.98 122.26 1cey s PHE 8 Ca 0.53 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 1cey s PHE 8 Cb -0.24 -1.11 0.04 0.00 0.51 0.00 0.00 43.02 42.21 1cey s PHE 8 CO 0.29 0.16 -0.14 -1.17 0.70 0.00 0.00 175.22 175.05 1cey s LEU 9 N -1.50 2.42 -0.38 -0.37 2.96 -0.87 -0.46 118.68 120.48 1cey s LEU 9 Ca 0.08 -0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 1cey s LEU 9 Cb -0.09 -1.39 0.04 0.00 0.50 0.00 0.00 46.19 45.24 1cey s LEU 9 CO 0.03 -0.09 0.21 0.68 -1.32 0.00 0.00 176.35 175.86 1cey s VAL 10 N 1.30 4.49 -0.31 1.68 -7.23 -1.05 0.83 120.40 120.12 1cey s VAL 10 Ca 0.00 -0.97 0.10 0.00 -1.81 0.00 0.00 61.98 59.30 1cey s VAL 10 Cb -0.15 -3.55 0.62 0.00 0.56 0.00 0.00 36.38 33.85 1cey s VAL 10 CO -0.10 -0.28 1.65 0.52 -0.31 0.00 0.00 175.10 176.58 1cey n VAL 11 N 4.98 2.74 -2.18 1.32 0.31 -0.94 -2.43 118.33 122.13 1cey n VAL 11 Ca -0.12 -2.07 -0.43 0.00 -0.01 0.00 0.00 64.34 61.71 1cey n VAL 11 Cb 0.45 -0.35 -0.02 0.00 -0.91 0.00 0.00 33.84 33.01 1cey n VAL 11 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1cey s ASP 12 N -1.72 6.62 0.27 4.52 1.47 -1.26 -4.36 116.67 122.22 1cey s ASP 12 Ca 0.50 1.79 0.21 0.00 1.18 0.00 0.00 52.55 56.23 1cey s ASP 12 Cb 0.42 -2.53 1.02 0.00 -0.34 0.00 0.00 42.92 41.49 1cey s ASP 12 CO 0.08 -1.03 1.65 0.47 0.68 0.00 0.00 175.17 177.03 1cey n ASP 13 N 7.55 0.57 -4.52 2.11 9.92 -1.26 -4.76 116.55 126.16 1cey n ASP 13 Ca 0.17 0.70 -0.45 0.00 -0.53 0.00 0.00 54.79 54.68 1cey n ASP 13 Cb 0.44 -0.80 -0.02 0.00 -0.64 0.00 0.00 41.12 40.11 1cey n ASP 13 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1cey n PHE 14 N -2.20 0.58 -1.70 1.24 3.72 -1.26 -4.84 117.46 113.00 1cey n PHE 14 Ca 0.00 0.76 -0.36 0.00 -0.05 0.00 0.00 57.45 57.80 1cey n PHE 14 Cb 0.13 -2.14 0.03 0.00 -0.94 0.00 0.00 39.48 36.56 1cey n PHE 14 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1cey n SER 15 N 1.41 7.34 0.00 4.37 3.41 -1.26 -4.32 113.62 124.57 1cey n SER 15 Ca 0.12 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 1cey n SER 15 Cb 0.31 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1cey n THR 16 N -0.33 0.00 -0.09 6.66 5.66 -1.26 -4.98 114.28 119.94 1cey n THR 16 Ca 0.54 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.45 1cey n THR 16 Cb 0.38 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.43 -1.01 1.09 -1.53 -1.94 -1.66 114.93 110.30 1cey h MET 17 Ca 0.00 -0.04 0.28 0.00 -3.44 0.00 0.00 59.70 56.50 1cey h MET 17 Cb 0.00 -0.09 -0.05 0.00 -0.55 0.00 0.00 31.60 30.91 1cey h MET 17 CO 0.00 0.34 0.71 0.07 0.14 0.00 0.00 176.91 178.17 1cey h ARG 18 N 0.39 0.11 -0.10 0.39 0.11 -1.86 0.16 114.38 113.59 1cey h ARG 18 Ca 0.11 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 60.00 1cey h ARG 18 Cb 0.03 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.09 1cey h ARG 18 CO -0.02 0.07 -0.67 -0.09 0.10 0.00 0.00 179.97 179.37 1cey h ARG 19 N 0.11 0.62 0.18 0.08 9.65 -1.68 -2.41 114.38 120.94 1cey h ARG 19 Ca 0.50 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1cey h ARG 19 Cb 1.79 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.48 1cey h ARG 19 CO -0.08 1.16 -0.15 0.82 2.80 0.00 0.00 179.97 184.52 1cey h ILE 20 N 0.26 0.67 -0.91 1.20 5.03 -0.48 -2.63 117.51 120.65 1cey h ILE 20 Ca -0.06 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 1cey h ILE 20 Cb 1.32 0.67 -0.04 0.00 -3.03 0.00 0.00 36.82 35.73 1cey h ILE 20 CO 0.14 0.00 0.55 -0.37 -0.68 0.00 0.00 178.15 177.79 1cey h VAL 21 N -0.34 1.25 -0.54 1.67 -1.51 -1.49 -0.84 116.25 114.45 1cey h VAL 21 Ca -0.00 -0.54 0.10 0.00 -1.23 0.00 0.00 66.70 65.03 1cey h VAL 21 Cb 0.31 -0.03 -0.11 0.00 -2.13 0.00 0.00 31.29 29.33 1cey h VAL 21 CO -0.02 0.26 -0.29 0.03 -1.23 0.00 0.00 177.57 176.33 1cey h ARG 22 N 1.25 -0.14 0.45 5.19 3.08 -1.06 0.13 114.38 123.28 1cey h ARG 22 Ca 0.33 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1cey h ARG 22 Cb -0.06 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1cey h ARG 22 CO -0.06 -0.09 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.56 1cey h ASN 23 N -0.15 -0.51 -0.98 7.04 -1.24 -1.31 -2.69 115.58 115.74 1cey h ASN 23 Ca 0.23 -0.08 0.13 0.00 0.71 0.00 0.00 56.30 57.29 1cey h ASN 23 Cb 0.53 0.13 -0.14 0.00 0.73 0.00 0.00 38.32 39.57 1cey h ASN 23 CO -0.63 -0.10 -0.46 -0.11 -1.29 0.00 0.00 177.43 174.84 1cey n LEU 24 N -5.20 -0.80 -0.01 0.34 0.00 -0.35 0.40 117.00 111.39 1cey n LEU 24 Ca -0.09 1.73 -0.09 0.00 0.00 0.00 0.00 56.01 57.55 1cey n LEU 24 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 43.42 43.35 1cey n LEU 24 CO 0.26 -1.49 0.79 -0.07 0.00 0.00 0.00 177.39 176.87 1cey h LEU 25 N 0.00 -0.35 -0.99 -1.96 3.38 -0.81 -0.13 115.31 114.45 1cey h LEU 25 Ca 0.27 0.07 0.26 0.00 0.09 0.00 0.00 57.88 58.57 1cey h LEU 25 Cb 0.51 0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.31 1cey h LEU 25 CO -0.95 -0.15 0.56 0.50 0.09 0.00 0.00 178.44 178.49 1cey h LYS 26 N -0.12 0.50 -0.44 1.13 3.64 0.30 1.07 116.57 122.65 1cey h LYS 26 Ca 0.09 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1cey h LYS 26 Cb 0.25 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1cey h LYS 26 CO -0.22 0.33 0.28 1.49 -2.27 0.00 0.00 179.45 179.07 1cey h GLU 27 N 0.51 0.58 -0.02 1.90 4.81 0.10 0.18 114.58 122.64 1cey h GLU 27 Ca 0.65 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1cey h GLU 27 Cb 1.28 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1cey h GLU 27 CO -0.51 0.39 0.00 1.28 -0.73 0.00 0.00 179.01 179.44 1cey n LEU 28 N -4.46 0.19 -1.23 1.64 7.99 0.37 -4.88 117.00 116.60 1cey n LEU 28 Ca 0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1cey n LEU 28 Cb 0.06 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 1cey n LEU 28 CO 0.35 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.88 1cey n GLY 29 N 0.82 0.66 2.90 -0.72 0.00 0.64 -4.99 105.19 104.51 1cey n GLY 29 Ca 0.14 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N -2.82 -0.17 -0.45 1.61 0.08 -1.19 -3.91 117.98 111.11 1cey s PHE 30 Ca 0.00 0.53 0.08 0.00 0.12 0.00 0.00 56.93 57.67 1cey s PHE 30 Cb 0.00 -0.13 0.30 0.00 -0.57 0.00 0.00 43.02 42.61 1cey s PHE 30 CO 0.00 -0.20 0.69 -1.71 -0.10 0.00 0.00 175.22 173.90 1cey n ASN 31 N 4.56 1.64 -2.85 1.36 4.05 -1.22 -3.78 115.26 119.02 1cey n ASN 31 Ca -0.20 -3.07 0.01 0.00 0.45 0.00 0.00 54.58 51.78 1cey n ASN 31 Cb 0.51 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 40.90 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 -2.14 -0.58 0.05 1.20 3.84 -1.26 -4.97 114.94 111.07 1cey s ASN 32 Ca 0.40 -0.32 0.02 0.00 0.21 0.00 0.00 52.86 53.17 1cey s ASN 32 Cb 0.24 0.74 -0.03 0.00 -0.55 0.00 0.00 41.25 41.65 1cey s ASN 32 CO -0.09 -0.06 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.39 1cey s VAL 33 N 1.87 0.58 0.38 -5.21 1.01 -1.26 -1.88 120.40 115.89 1cey s VAL 33 Ca 0.16 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.97 1cey s VAL 33 Cb 0.02 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.67 1cey s VAL 33 CO -0.13 -0.42 0.02 -0.62 0.00 0.00 0.00 175.10 173.95 1cey n GLU 34 N 1.31 1.07 -3.75 2.72 -0.58 0.39 -4.93 120.64 116.86 1cey n GLU 34 Ca -0.22 -2.73 -0.11 0.00 -0.42 0.00 0.00 57.16 53.68 1cey n GLU 34 Cb 0.55 0.70 -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 -2.00 -0.48 0.00 0.00 177.13 174.65 1cey s GLU 35 N -3.38 0.82 0.00 3.49 2.12 -1.26 -2.52 118.70 117.97 1cey s GLU 35 Ca 0.02 -0.52 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1cey s GLU 35 Cb -0.00 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1cey s GLU 35 CO 0.01 -0.27 0.00 0.00 -0.54 0.00 0.00 175.26 174.46 1cey n ALA 36 N 0.53 0.00 -0.42 6.30 0.00 -1.02 -4.94 120.51 120.95 1cey n ALA 36 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1cey n ALA 36 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.41 -3.57 0.00 1.02 -1.26 -4.58 120.64 112.66 1cey n GLU 37 Ca 0.00 -0.03 0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1cey n GLU 37 Cb 0.00 -0.31 0.01 0.00 -0.02 0.00 0.00 31.44 31.12 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 -0.07 -0.94 0.11 1.62 5.68 -1.26 -4.64 116.55 117.05 1cey n ASP 38 Ca 0.00 -1.18 -0.13 0.00 -0.50 0.00 0.00 54.79 52.98 1cey n ASP 38 Cb 0.11 1.45 -0.08 0.00 -1.14 0.00 0.00 41.12 41.45 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 1.58 -0.26 0.28 6.12 0.00 -1.93 0.85 103.07 109.70 1cey h GLY 39 Ca -0.17 0.10 0.23 0.00 0.00 0.00 0.00 47.33 47.49 1cey h GLY 39 CO 0.24 -0.10 0.61 -0.24 0.00 0.00 0.00 176.54 177.06 1cey h VAL 40 N -0.43 0.61 -0.02 4.60 3.04 -1.98 0.23 116.25 122.29 1cey h VAL 40 Ca -0.03 -0.05 -0.06 0.00 -1.01 0.00 0.00 66.70 65.56 1cey h VAL 40 Cb 0.33 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 1cey h VAL 40 CO 0.04 0.03 -0.22 -0.78 -1.01 0.00 0.00 177.57 175.63 1cey h ASP 41 N 0.15 0.22 -0.23 3.17 1.82 -1.75 -2.69 116.42 117.11 1cey h ASP 41 Ca 0.43 -0.72 0.01 0.00 -0.39 0.00 0.00 57.03 56.37 1cey h ASP 41 Cb 1.47 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 41.40 1cey h ASP 41 CO -0.07 0.91 0.12 0.00 -1.61 0.00 0.00 179.24 178.59 1cey h ALA 42 N 0.32 0.28 -1.00 -0.78 0.00 0.16 0.49 119.26 118.72 1cey h ALA 42 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1cey h ALA 42 Cb 0.93 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1cey h ALA 42 CO 0.04 -0.28 0.64 1.25 0.00 0.00 0.00 179.25 180.90 1cey h LEU 43 N 0.25 0.99 0.00 0.00 7.12 -0.74 0.59 115.31 123.53 1cey h LEU 43 Ca 0.09 0.03 -0.13 0.00 0.13 0.00 0.00 57.88 58.00 1cey h LEU 43 Cb 0.02 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 39.95 1cey h LEU 43 CO -0.06 0.59 -0.70 0.78 -0.13 0.00 0.00 178.44 178.92 1cey h ASN 44 N 1.10 0.00 0.79 1.25 2.35 -1.03 -3.31 115.58 116.72 1cey h ASN 44 Ca 0.46 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.09 1cey h ASN 44 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1cey h ASN 44 CO -0.21 0.57 -1.29 0.29 -1.65 0.00 0.00 177.43 175.13 1cey n LYS 45 N -3.19 0.62 0.16 0.81 4.76 0.17 -3.99 118.16 117.50 1cey n LYS 45 Ca 0.00 0.19 0.13 0.00 -2.87 0.00 0.00 58.31 55.75 1cey n LYS 45 Cb 0.77 -1.81 0.29 0.00 -1.84 0.00 0.00 35.03 32.44 1cey n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1cey h LEU 46 N 0.00 0.00 0.00 -0.35 3.38 0.04 -2.87 115.31 115.51 1cey h LEU 46 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1cey h LEU 46 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1cey h LEU 46 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1cey n GLN 47 N -2.66 0.03 0.00 1.13 10.64 -1.24 -2.85 117.38 122.43 1cey n GLN 47 Ca 0.05 0.27 0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1cey n GLN 47 Cb 0.48 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cey n ALA 48 N -1.30 -0.09 -1.40 2.61 0.00 -1.08 -4.67 120.51 114.58 1cey n ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1cey n ALA 48 Cb 0.02 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.77 -1.44 1.85 0.00 0.00 -1.21 -5.07 105.19 98.55 1cey n GLY 49 Ca 0.00 0.00 -0.01 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 -2.34 3.65 -0.02 0.00 -1.13 -4.97 105.19 100.38 1cey n GLY 50 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.05 0.81 1.02 1.61 4.01 -1.26 -4.90 117.16 118.41 1cey n TYR 51 Ca 0.01 0.39 0.12 0.00 -0.16 0.00 0.00 57.90 58.26 1cey n TYR 51 Cb 0.05 -2.03 0.20 0.00 -0.31 0.00 0.00 39.34 37.25 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 0.58 -1.13 3.35 2.72 0.00 -1.20 -4.88 105.19 104.64 1cey n GLY 52 Ca 0.12 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.94 -0.50 -0.07 1.61 5.36 -0.14 -4.03 117.98 117.27 1cey s PHE 53 Ca 0.12 1.20 -0.01 0.00 -0.96 0.00 0.00 56.93 57.28 1cey s PHE 53 Cb 0.17 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 43.05 1cey s PHE 53 CO 0.71 -0.25 -0.00 0.08 -1.46 0.00 0.00 175.22 174.29 1cey s VAL 54 N 0.17 0.42 -0.19 3.12 1.01 -1.01 -2.04 120.40 121.87 1cey s VAL 54 Ca -0.01 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1cey s VAL 54 Cb -0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1cey s VAL 54 CO 0.01 0.26 0.06 -0.63 0.00 0.00 0.00 175.10 174.81 1cey s ILE 55 N 1.91 4.71 -0.03 2.22 1.01 0.24 -2.19 121.20 129.09 1cey s ILE 55 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1cey s ILE 55 Cb -0.12 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1cey s ILE 55 CO -0.05 0.44 0.21 -0.94 0.00 0.00 0.00 174.94 174.60 1cey s SER 56 N 0.55 -0.10 0.00 3.58 1.04 -1.26 -2.22 113.70 115.28 1cey s SER 56 Ca 0.03 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.52 1cey s SER 56 Cb -0.13 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1cey s SER 56 CO 0.01 -0.30 0.00 -0.67 0.98 0.00 0.00 173.24 173.26 1cey n ASP 57 N 1.85 0.00 0.00 7.02 2.03 -1.26 -0.34 116.55 125.84 1cey n ASP 57 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1cey n ASP 57 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1cey n TRP 58 N 0.00 0.00 -2.21 -0.67 -0.00 -1.26 -3.81 117.44 109.49 1cey n TRP 58 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.47 1cey n TRP 58 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 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 -0.39 -0.82 0.01 5.87 0.23 -1.26 -3.28 115.26 115.63 1cey n ASN 59 Ca 0.00 -1.56 -0.18 0.00 -0.53 0.00 0.00 54.58 52.31 1cey n ASN 59 Cb 0.00 0.32 -0.14 0.00 -2.08 0.00 0.00 39.78 37.88 1cey n ASN 59 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 1cey h MET 60 N 0.32 0.21 0.00 -3.83 4.05 -1.94 -3.41 114.93 110.33 1cey h MET 60 Ca -0.34 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 58.71 1cey h MET 60 Cb 1.15 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1cey h MET 60 CO -0.16 1.05 0.00 -0.35 0.23 0.00 0.00 176.91 177.68 1cey n PRO 61 N -3.39 0.00 0.00 0.39 -0.05 -1.26 -4.89 135.00 125.80 1cey n PRO 61 Ca -0.26 0.47 0.00 0.00 -0.05 0.00 0.00 63.50 63.66 1cey n PRO 61 Cb 1.05 -1.25 0.00 0.00 -0.05 0.00 0.00 33.50 33.25 1cey n PRO 61 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1cey n ASN 62 N -1.90 0.00 0.00 3.54 6.94 -1.26 -5.11 115.26 117.47 1cey n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1cey n ASN 62 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1cey n MET 63 N -0.89 0.00 -3.87 -3.83 2.81 -1.26 -4.95 117.12 105.13 1cey n MET 63 Ca 0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 1cey n MET 63 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1cey n ASP 64 N 0.00 -0.76 0.05 7.83 5.75 -1.26 -4.47 116.55 123.69 1cey n ASP 64 Ca 0.00 -2.84 0.11 0.00 -0.01 0.00 0.00 54.79 52.06 1cey n ASP 64 Cb 0.00 1.64 -0.03 0.00 -1.03 0.00 0.00 41.12 41.70 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cey n GLY 65 N -0.54 -1.26 0.05 6.12 0.00 -1.20 -4.49 105.19 103.86 1cey n GLY 65 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 1cey n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1cey h LEU 66 N 0.00 -0.19 -0.97 0.99 -0.00 -1.97 0.45 115.31 113.62 1cey h LEU 66 Ca 0.00 0.02 0.31 0.00 -0.00 0.00 0.00 57.88 58.22 1cey h LEU 66 Cb 0.90 0.08 -0.16 0.00 -0.00 0.00 0.00 40.66 41.48 1cey h LEU 66 CO 0.00 -0.04 0.43 -0.08 -0.00 0.00 0.00 178.44 178.74 1cey h GLU 67 N -0.05 0.19 -0.58 1.13 4.57 -1.97 1.47 114.58 119.34 1cey h GLU 67 Ca 0.01 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 1cey h GLU 67 Cb 0.06 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1cey h GLU 67 CO -0.06 0.13 0.25 1.25 -1.18 0.00 0.00 179.01 179.40 1cey h LEU 68 N 0.20 0.79 0.00 1.64 5.85 -1.18 -2.61 115.31 119.99 1cey h LEU 68 Ca 0.70 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.26 1cey h LEU 68 Cb 1.60 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1cey h LEU 68 CO -0.68 0.73 -0.07 0.25 -0.34 0.00 0.00 178.44 178.32 1cey h LEU 69 N 0.80 0.00 -0.69 2.25 6.46 0.54 -3.33 115.31 121.34 1cey h LEU 69 Ca 0.20 0.00 0.26 0.00 -0.12 0.00 0.00 57.88 58.22 1cey h LEU 69 Cb 0.18 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 39.98 1cey h LEU 69 CO -0.02 0.33 0.28 1.17 -0.62 0.00 0.00 178.44 179.58 1cey n LYS 70 N -3.61 -0.04 -0.06 1.25 0.00 0.42 0.27 118.16 116.39 1cey n LYS 70 Ca -0.01 0.97 -0.09 0.00 0.00 0.00 0.00 58.31 59.18 1cey n LYS 70 Cb 0.04 -1.69 -0.02 0.00 0.00 0.00 0.00 35.03 33.36 1cey n LYS 70 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1cey h THR 71 N 0.00 1.00 -0.73 3.15 2.02 -1.60 0.06 112.91 116.81 1cey h THR 71 Ca 0.54 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 67.78 1cey h THR 71 Cb 1.38 0.72 -0.10 0.00 -1.74 0.00 0.00 68.15 68.41 1cey h THR 71 CO -0.56 0.05 0.24 0.40 0.37 0.00 0.00 175.52 176.02 1cey h ILE 72 N 0.26 0.61 -0.62 3.11 2.04 0.37 0.13 117.51 123.40 1cey h ILE 72 Ca 0.10 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1cey h ILE 72 Cb 0.02 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1cey h ILE 72 CO -0.07 0.07 0.06 -0.09 0.00 0.00 0.00 178.15 178.12 1cey h ARG 73 N 0.36 1.04 -1.04 2.37 2.43 -1.01 -2.38 114.38 116.15 1cey h ARG 73 Ca 0.40 -0.29 0.30 0.00 -0.81 0.00 0.00 59.98 59.58 1cey h ARG 73 Cb 0.64 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1cey h ARG 73 CO -0.44 0.98 0.94 0.00 -1.51 0.00 0.00 179.97 179.94 1cey h ALA 74 N 1.09 2.91 -3.00 2.80 0.00 0.12 -3.35 119.26 119.83 1cey h ALA 74 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cey h ALA 74 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1cey h ALA 74 CO 0.02 -1.48 0.00 -0.25 0.00 0.00 0.00 179.25 177.54 1cey n ASP 75 N -3.72 0.00 0.00 0.00 8.00 -0.89 -5.10 116.55 114.84 1cey n ASP 75 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1cey n ASP 75 Cb 1.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.38 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 1.84 1.78 4.06 0.44 0.00 -1.26 -4.92 105.19 107.13 1cey n GLY 76 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -0.49 0.00 -1.83 4.61 0.00 -1.26 -4.39 120.51 117.15 1cey n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 77 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.83 0.00 0.00 0.00 2.00 -1.26 -4.85 117.12 111.18 1cey n MET 78 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 57.70 57.15 1cey n MET 78 Cb 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 33.22 33.01 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 0.00 0.00 -0.75 7.83 7.64 -1.26 -2.04 113.62 125.04 1cey n SER 79 Ca 0.00 -0.76 0.12 0.00 1.01 0.00 0.00 58.87 59.24 1cey n SER 79 Cb 0.60 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 64.12 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 -0.64 2.50 -1.36 -0.43 0.00 -1.26 -4.78 120.51 114.53 1cey n ALA 80 Ca 0.03 -0.64 -0.53 0.00 0.00 0.00 0.00 53.44 52.30 1cey n ALA 80 Cb 0.01 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.35 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 0.74 1.10 -4.76 0.00 -0.00 -0.87 -4.82 117.00 108.40 1cey n LEU 81 Ca 0.17 0.46 -0.41 0.00 -0.00 0.00 0.00 56.01 56.22 1cey n LEU 81 Cb 0.45 -1.03 -0.02 0.00 -0.00 0.00 0.00 43.42 42.82 1cey n LEU 81 CO 0.15 -0.79 1.16 -2.84 -0.00 0.00 0.00 177.39 175.07 1cey s PRO 82 N 6.75 4.18 -0.06 1.96 0.02 -1.26 -4.85 135.00 141.74 1cey s PRO 82 Ca 1.19 2.46 0.02 0.00 0.02 0.00 0.00 61.00 64.69 1cey s PRO 82 Cb -1.22 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 30.27 1cey s PRO 82 CO 0.56 -0.51 -0.10 0.08 -0.33 0.00 0.00 177.00 176.71 1cey s VAL 83 N -0.33 0.97 -0.86 3.83 1.01 -1.20 -2.41 120.40 121.40 1cey s VAL 83 Ca 0.59 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1cey s VAL 83 Cb -0.45 -0.91 0.27 0.00 0.00 0.00 0.00 36.38 35.28 1cey s VAL 83 CO 0.50 0.32 1.03 -0.11 0.00 0.00 0.00 175.10 176.84 1cey n LEU 84 N 3.94 4.86 -4.65 3.92 7.94 -0.93 0.11 117.00 132.20 1cey n LEU 84 Ca -0.23 -5.30 -0.40 0.00 -1.11 0.00 0.00 56.01 48.97 1cey n LEU 84 Cb 0.51 -0.98 0.03 0.00 0.53 0.00 0.00 43.42 43.51 1cey n LEU 84 CO 0.24 1.83 0.70 0.23 -1.11 0.00 0.00 177.39 179.28 1cey n MET 85 N 1.30 1.41 -4.74 1.96 2.81 0.01 -4.19 117.12 115.70 1cey n MET 85 Ca 0.27 0.52 -0.33 0.00 -1.81 0.00 0.00 57.70 56.34 1cey n MET 85 Cb 0.37 -2.24 -0.14 0.00 -0.71 0.00 0.00 33.22 30.50 1cey n MET 85 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1cey s VAL 86 N -1.33 3.14 0.19 2.03 1.01 0.53 -1.54 120.40 124.43 1cey s VAL 86 Ca 0.67 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1cey s VAL 86 Cb -0.48 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.57 1cey s VAL 86 CO 0.53 0.52 0.38 0.28 0.00 0.00 0.00 175.10 176.81 1cey s THR 87 N 0.35 0.04 0.18 3.92 -1.32 -1.06 -4.05 115.64 113.71 1cey s THR 87 Ca -0.10 -1.27 -0.11 0.00 -1.21 0.00 0.00 61.69 58.99 1cey s THR 87 Cb -0.16 -1.88 -0.07 0.00 -1.51 0.00 0.00 72.50 68.88 1cey s THR 87 CO 0.05 -0.18 0.53 0.00 -2.21 0.00 0.00 174.62 172.81 1cey s ALA 88 N -3.96 3.59 0.00 11.08 0.00 -1.26 -2.45 121.76 128.75 1cey s ALA 88 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1cey s ALA 88 Cb 0.02 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1cey s ALA 88 CO 0.02 0.50 0.00 0.39 0.00 0.00 0.00 175.76 176.67 1cey n GLU 89 N 0.30 0.00 0.00 0.00 1.02 -1.26 -4.85 120.64 115.86 1cey n GLU 89 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1cey n GLU 89 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 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 3.44 0.00 -2.65 0.62 0.00 -1.26 -4.82 120.51 115.84 1cey n ALA 90 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1cey n ALA 90 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 0.00 3.94 0.29 0.00 3.01 -1.26 -4.97 119.74 120.76 1cey s LYS 91 Ca 0.00 -0.33 0.02 0.00 -1.01 0.00 0.00 55.97 54.65 1cey s LYS 91 Cb 0.00 -3.60 0.72 0.00 -1.01 0.00 0.00 37.83 33.94 1cey s LYS 91 CO 0.00 -0.13 1.62 0.87 0.51 0.00 0.00 175.35 178.22 1cey h LYS 92 N 8.18 0.12 -0.87 1.68 1.57 -2.00 0.81 116.57 126.07 1cey h LYS 92 Ca -0.36 -0.01 0.22 0.00 -1.87 0.00 0.00 60.65 58.63 1cey h LYS 92 Cb 1.18 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1cey h LYS 92 CO 0.57 0.08 0.59 1.49 -0.57 0.00 0.00 179.45 181.62 1cey h GLU 93 N 0.13 0.22 0.14 3.15 4.81 -2.00 -0.47 114.58 120.56 1cey h GLU 93 Ca 0.56 -0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 59.45 1cey h GLU 93 Cb 1.16 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1cey h GLU 93 CO -0.74 0.15 -1.73 -0.91 -0.73 0.00 0.00 179.01 175.05 1cey h ASN 94 N 0.23 0.45 0.49 1.04 4.21 0.20 -3.32 115.58 118.88 1cey h ASN 94 Ca 0.44 -0.90 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1cey h ASN 94 Cb 1.34 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1cey h ASN 94 CO -0.10 1.76 0.00 -0.38 -1.29 0.00 0.00 177.43 177.41 1cey n ILE 95 N -3.69 1.01 0.00 2.81 5.41 -0.63 -2.78 119.36 121.49 1cey n ILE 95 Ca -0.28 0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1cey n ILE 95 Cb 1.00 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.69 1cey n ILE 95 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1cey n ILE 96 N -1.99 0.00 -0.15 1.39 5.41 -0.25 -2.50 119.36 121.28 1cey n ILE 96 Ca 0.02 0.50 0.28 0.00 1.00 0.00 0.00 62.75 64.55 1cey n ILE 96 Cb 0.16 -1.50 0.63 0.00 -0.71 0.00 0.00 39.64 38.22 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 -2.00 2.73 0.41 -1.39 0.00 -1.66 0.38 119.26 117.73 1cey h ALA 97 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1cey h ALA 97 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1cey h ALA 97 CO 0.00 -1.35 -0.20 0.00 0.00 0.00 0.00 179.25 177.71 1cey h ALA 98 N 1.05 -0.63 -0.55 0.00 0.00 -1.60 -3.24 119.26 114.29 1cey h ALA 98 Ca 0.42 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1cey h ALA 98 Cb 2.19 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 20.17 1cey h ALA 98 CO -0.00 -0.59 0.37 0.00 0.00 0.00 0.00 179.25 179.02 1cey h ALA 99 N -1.32 1.78 0.00 0.00 0.00 -0.74 0.80 119.26 119.79 1cey h ALA 99 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1cey h ALA 99 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cey h ALA 99 CO 0.09 0.15 0.45 0.37 0.00 0.00 0.00 179.25 180.31 1cey h GLN 100 N 0.58 0.00 0.00 0.00 5.75 -1.04 -3.38 115.11 117.03 1cey h GLN 100 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1cey h GLN 100 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1cey h GLN 100 CO -0.06 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.12 1cey n ALA 101 N -1.79 0.00 -0.03 3.38 0.00 0.25 -5.01 120.51 117.31 1cey n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cey n ALA 101 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 5.00 -1.18 0.06 0.00 0.00 -1.23 -4.64 105.19 103.20 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 -0.10 1.38 -0.31 4.61 0.00 -1.07 -3.28 120.51 121.75 1cey n ALA 103 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 1cey n ALA 103 Cb 0.01 -0.96 0.37 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.37 0.02 -4.59 0.00 7.64 -1.26 -4.04 113.62 111.02 1cey n SER 104 Ca 0.00 0.49 -0.34 0.00 1.01 0.00 0.00 58.87 60.03 1cey n SER 104 Cb 0.00 -0.24 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 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 -3.43 1.80 -0.17 0.23 0.00 0.31 -4.96 107.32 101.10 1cey s GLY 105 Ca -0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 1cey s GLY 105 CO 0.41 -0.23 0.13 -0.47 0.00 0.00 0.00 173.10 172.94 1cey s TYR 106 N -0.08 0.04 -0.13 1.90 5.04 -1.26 -0.81 117.35 122.06 1cey s TYR 106 Ca 0.03 -0.12 -0.01 0.00 -2.44 0.00 0.00 57.07 54.54 1cey s TYR 106 Cb -0.13 -0.58 -0.02 0.00 0.35 0.00 0.00 41.96 41.58 1cey s TYR 106 CO 0.02 -0.52 -0.10 0.54 -1.34 0.00 0.00 175.55 174.15 1cey s VAL 107 N 2.20 3.31 0.00 3.14 0.11 -0.59 -4.97 120.40 123.60 1cey s VAL 107 Ca 0.04 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1cey s VAL 107 Cb -0.16 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.29 1cey s VAL 107 CO -0.10 0.52 0.00 0.52 -3.33 0.00 0.00 175.10 172.72 1cey n VAL 108 N 3.42 0.00 -3.60 2.04 0.31 -1.26 -2.55 118.33 116.69 1cey n VAL 108 Ca -0.18 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.09 1cey n VAL 108 Cb 0.53 -0.37 -0.04 0.00 -0.91 0.00 0.00 33.84 33.05 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1cey s LYS 109 N 0.00 0.33 0.41 5.55 -2.85 -1.03 -4.33 119.74 117.82 1cey s LYS 109 Ca 0.00 0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 54.76 1cey s LYS 109 Cb 0.00 0.15 -0.09 0.00 -2.06 0.00 0.00 37.83 35.83 1cey s LYS 109 CO 0.00 -0.11 1.05 -1.25 0.10 0.00 0.00 175.35 175.13 1cey s PRO 110 N -1.43 4.14 0.19 1.78 0.05 -1.26 -4.71 135.00 133.75 1cey s PRO 110 Ca 0.05 1.49 0.08 0.00 0.05 0.00 0.00 61.00 62.68 1cey s PRO 110 Cb -0.01 -2.50 -0.04 0.00 0.05 0.00 0.00 34.50 32.00 1cey s PRO 110 CO -0.04 -0.16 -0.05 -0.59 0.05 0.00 0.00 177.00 176.21 1cey s PHE 111 N -1.70 2.72 0.17 0.56 -0.12 -1.26 -5.09 117.98 113.26 1cey s PHE 111 Ca 0.59 -0.19 -0.12 0.00 -0.05 0.00 0.00 56.93 57.16 1cey s PHE 111 Cb -0.21 -1.31 -0.07 0.00 -0.63 0.00 0.00 43.02 40.80 1cey s PHE 111 CO 0.27 0.53 0.52 0.99 -0.05 0.00 0.00 175.22 177.47 1cey s THR 112 N -1.78 4.93 0.55 -4.49 2.01 -1.26 -4.77 115.64 110.83 1cey s THR 112 Ca 0.26 0.63 0.40 0.00 0.31 0.00 0.00 61.69 63.29 1cey s THR 112 Cb -0.09 -3.68 0.59 0.00 0.01 0.00 0.00 72.50 69.33 1cey s THR 112 CO 0.17 0.13 1.73 0.00 -0.69 0.00 0.00 174.62 175.97 1cey h ALA 113 N 3.20 3.27 0.01 7.40 0.00 -1.99 2.19 119.26 133.34 1cey h ALA 113 Ca -0.48 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 1cey h ALA 113 Cb 1.18 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1cey h ALA 113 CO 0.67 -1.69 -0.94 0.00 0.00 0.00 0.00 179.25 177.29 1cey h ALA 114 N 1.28 0.38 0.51 0.00 0.00 -1.98 -1.29 119.26 118.16 1cey h ALA 114 Ca 0.64 -0.72 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1cey h ALA 114 Cb 2.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1cey h ALA 114 CO -0.01 0.84 -0.24 1.15 0.00 0.00 0.00 179.25 180.99 1cey h THR 115 N 0.20 0.00 -0.69 0.00 2.02 0.31 -1.68 112.91 113.07 1cey h THR 115 Ca -0.07 -0.41 0.14 0.00 0.77 0.00 0.00 66.41 66.83 1cey h THR 115 Cb 1.58 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.86 1cey h THR 115 CO 0.16 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 176.09 1cey h LEU 116 N -1.10 -0.75 -1.75 2.58 6.46 -0.91 1.27 115.31 121.12 1cey h LEU 116 Ca -0.07 0.21 0.24 0.00 -0.12 0.00 0.00 57.88 58.15 1cey h LEU 116 Cb 0.52 0.46 -0.05 0.00 -0.73 0.00 0.00 40.66 40.86 1cey h LEU 116 CO 0.11 -0.25 0.64 -0.08 -0.62 0.00 0.00 178.44 178.24 1cey h GLU 117 N -0.03 0.18 -0.32 1.25 4.81 -1.17 0.94 114.58 120.26 1cey h GLU 117 Ca 0.32 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1cey h GLU 117 Cb 0.52 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1cey h GLU 117 CO -0.72 0.12 -0.10 1.49 -0.73 0.00 0.00 179.01 179.07 1cey h GLU 118 N 0.19 0.63 0.06 1.92 4.57 0.26 -2.39 114.58 119.81 1cey h GLU 118 Ca 0.46 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1cey h GLU 118 Cb 1.51 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 1cey h GLU 118 CO -0.10 0.82 -0.03 0.87 -1.18 0.00 0.00 179.01 179.40 1cey h LYS 119 N 0.40 -0.08 0.01 1.92 6.56 -0.39 -2.65 116.57 122.34 1cey h LYS 119 Ca 0.08 0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.69 1cey h LYS 119 Cb 0.61 0.02 -0.06 0.00 -0.57 0.00 0.00 32.23 32.23 1cey h LYS 119 CO 0.04 0.44 -0.52 1.25 -2.06 0.00 0.00 179.45 178.59 1cey h LEU 120 N -0.64 -1.61 -1.41 2.94 5.85 -1.15 0.16 115.31 119.45 1cey h LEU 120 Ca -0.01 0.18 0.18 0.00 0.84 0.00 0.00 57.88 59.07 1cey h LEU 120 Cb 0.55 0.61 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 1cey h LEU 120 CO 0.01 -0.52 0.58 0.78 -0.34 0.00 0.00 178.44 178.95 1cey h ASN 121 N -0.67 0.51 0.50 1.25 2.35 -1.52 0.32 115.58 118.31 1cey h ASN 121 Ca 0.02 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1cey h ASN 121 Cb 0.72 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 1cey h ASN 121 CO -0.35 0.22 -0.15 0.11 -1.65 0.00 0.00 177.43 175.61 1cey h LYS 122 N 0.52 0.00 0.03 0.81 1.79 -0.62 -2.94 116.57 116.16 1cey h LYS 122 Ca 0.46 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.69 1cey h LYS 122 Cb 0.99 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 1cey h LYS 122 CO -0.20 0.15 -1.29 0.82 -1.08 0.00 0.00 179.45 177.85 1cey h ILE 123 N 0.00 0.95 0.00 1.86 2.04 0.48 -3.33 117.51 119.50 1cey h ILE 123 Ca -0.00 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.62 1cey h ILE 123 Cb 0.44 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 1cey h ILE 123 CO 0.02 0.45 0.04 0.49 0.00 0.00 0.00 178.15 179.15 1cey n PHE 124 N -4.26 0.34 0.26 1.37 3.01 -0.59 -0.35 117.46 117.24 1cey n PHE 124 Ca -0.30 0.18 0.13 0.00 1.01 0.00 0.00 57.45 58.47 1cey n PHE 124 Cb 0.74 -0.75 0.70 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.00 -1.08 4.57 -1.63 0.54 114.58 116.98 1cey h GLU 125 Ca 0.00 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.90 1cey h GLU 125 Cb 0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 1cey h GLU 125 CO 0.00 0.13 -1.78 1.63 -1.18 0.00 0.00 179.01 177.81 1cey n LYS 126 N -3.54 0.64 0.15 1.92 4.76 0.52 -3.94 118.16 118.67 1cey n LYS 126 Ca -0.01 0.23 0.04 0.00 -2.87 0.00 0.00 58.31 55.69 1cey n LYS 126 Cb 0.27 -1.75 0.07 0.00 -1.84 0.00 0.00 35.03 31.78 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 -3.15 -0.35 6.46 -1.26 -3.48 115.31 113.52 1cey h LEU 127 Ca -0.30 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.23 1cey h LEU 127 Cb 1.96 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.90 1cey h LEU 127 CO 0.06 0.44 -1.01 0.61 -0.62 0.00 0.00 178.44 177.92 1cey n GLY 128 N 1.13 -0.45 0.53 3.75 0.00 0.18 -5.08 105.19 105.26 1cey n GLY 128 Ca 0.02 1.01 0.14 0.00 0.00 0.00 0.00 46.02 47.19 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35