#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 1.98 -0.96 0.00 2.03 -1.26 -4.72 116.55 113.62 1cey n ASP 3 Ca 0.00 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1cey n ASP 3 Cb 0.00 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.24 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 3.92 0.60 -1.46 -0.67 5.02 -1.26 -2.76 118.16 121.54 1cey n LYS 4 Ca 0.22 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.46 1cey n LYS 4 Cb 0.16 -1.21 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 1cey n LYS 4 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1cey n GLU 5 N 0.67 0.37 -2.23 1.97 4.07 -1.26 -3.90 120.64 120.32 1cey n GLU 5 Ca 0.00 -1.09 -0.41 0.00 -0.06 0.00 0.00 57.16 55.60 1cey n GLU 5 Cb 0.29 0.46 -0.03 0.00 -0.06 0.00 0.00 31.44 32.10 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1cey s LEU 6 N -1.11 4.43 -0.06 4.31 2.96 -1.11 -4.85 118.68 123.25 1cey s LEU 6 Ca 0.03 2.41 -0.28 0.00 -0.22 0.00 0.00 54.13 56.06 1cey s LEU 6 Cb 0.13 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.18 1cey s LEU 6 CO -0.04 -0.50 0.93 -0.54 -1.32 0.00 0.00 176.35 174.89 1cey s LYS 7 N -0.35 4.48 0.15 1.98 1.02 -1.26 -4.64 119.74 121.12 1cey s LYS 7 Ca 0.55 1.29 0.08 0.00 0.02 0.00 0.00 55.97 57.91 1cey s LYS 7 Cb -0.36 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 1cey s LYS 7 CO 0.40 -0.13 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.58 1cey s PHE 8 N 1.37 2.76 -0.26 3.18 0.40 -0.92 -1.95 117.98 122.56 1cey s PHE 8 Ca 0.47 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.65 1cey s PHE 8 Cb -0.19 -1.37 0.07 0.00 0.51 0.00 0.00 43.02 42.04 1cey s PHE 8 CO 0.22 0.49 -0.00 -1.17 0.70 0.00 0.00 175.22 175.46 1cey s LEU 9 N -2.69 2.75 -0.37 -0.37 2.96 -0.90 -1.70 118.68 118.37 1cey s LEU 9 Ca 0.25 -1.39 -0.19 0.00 -0.22 0.00 0.00 54.13 52.58 1cey s LEU 9 Cb -0.10 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.45 1cey s LEU 9 CO 0.16 -0.29 0.56 0.68 -1.32 0.00 0.00 176.35 176.14 1cey s VAL 10 N 1.39 4.95 -0.76 1.68 -7.23 -1.07 -0.20 120.40 119.16 1cey s VAL 10 Ca -0.00 0.31 -0.00 0.00 -1.81 0.00 0.00 61.98 60.48 1cey s VAL 10 Cb -0.18 -4.04 0.19 0.00 0.56 0.00 0.00 36.38 32.90 1cey s VAL 10 CO -0.10 -0.33 0.59 -0.69 -0.31 0.00 0.00 175.10 174.27 1cey s VAL 11 N 2.54 3.76 0.00 1.32 1.01 -0.67 -2.24 120.40 126.11 1cey s VAL 11 Ca 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 61.98 58.50 1cey s VAL 11 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1cey s VAL 11 CO 0.15 -0.99 0.00 0.47 0.00 0.00 0.00 175.10 174.72 1cey n ASP 12 N 2.61 0.75 0.00 3.32 8.00 -1.26 -4.01 116.55 125.97 1cey n ASP 12 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1cey n ASP 12 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 1cey n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1cey n ASP 13 N 0.00 0.00 -4.64 -2.24 2.03 -1.26 -4.36 116.55 106.08 1cey n ASP 13 Ca 0.00 -1.00 -0.38 0.00 0.52 0.00 0.00 54.79 53.93 1cey n ASP 13 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 1cey n ASP 13 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1cey s PHE 14 N 0.00 3.31 0.00 -0.67 0.40 -1.26 -4.93 117.98 114.83 1cey s PHE 14 Ca 0.00 0.50 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1cey s PHE 14 Cb 0.00 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.99 1cey s PHE 14 CO 0.00 -0.11 0.93 0.45 0.70 0.00 0.00 175.22 177.19 1cey n SER 15 N 4.88 2.64 0.00 1.36 2.88 -1.26 -3.17 113.62 120.95 1cey n SER 15 Ca -0.09 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.87 1cey n SER 15 Cb 0.51 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.01 0.00 -0.26 2.46 5.66 -1.26 -4.90 114.28 116.98 1cey n THR 16 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1cey n THR 16 Cb 0.34 -0.02 0.16 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.64 -0.99 1.09 -1.53 -1.96 -0.95 114.93 111.23 1cey h MET 17 Ca 0.00 -0.04 0.12 0.00 -3.44 0.00 0.00 59.70 56.34 1cey h MET 17 Cb 0.00 -0.14 -0.09 0.00 -0.55 0.00 0.00 31.60 30.82 1cey h MET 17 CO 0.00 0.42 0.62 0.00 0.14 0.00 0.00 176.91 178.10 1cey h ARG 18 N 0.66 0.95 0.00 0.39 3.08 -1.91 0.36 114.38 117.90 1cey h ARG 18 Ca 0.38 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.31 1cey h ARG 18 Cb 0.40 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1cey h ARG 18 CO -0.27 0.63 -0.29 0.00 -1.07 0.00 0.00 179.97 178.96 1cey h ARG 19 N 0.97 0.00 0.02 0.04 3.08 -1.51 -1.85 114.38 115.13 1cey h ARG 19 Ca 0.50 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.55 1cey h ARG 19 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1cey h ARG 19 CO -0.27 0.29 -0.01 0.82 -1.07 0.00 0.00 179.97 179.74 1cey h ILE 20 N 0.00 1.36 -0.59 2.04 5.03 -0.68 -3.14 117.51 121.53 1cey h ILE 20 Ca -0.00 -1.15 -0.09 0.00 -0.12 0.00 0.00 64.86 63.49 1cey h ILE 20 Cb 0.66 2.13 -0.02 0.00 -3.03 0.00 0.00 36.82 36.55 1cey h ILE 20 CO 0.04 0.29 0.01 -0.37 -0.68 0.00 0.00 178.15 177.44 1cey h VAL 21 N -0.52 1.26 -0.52 1.67 -1.51 -1.40 -2.19 116.25 113.05 1cey h VAL 21 Ca -0.00 -1.12 0.09 0.00 -1.23 0.00 0.00 66.70 64.44 1cey h VAL 21 Cb 0.50 0.79 -0.10 0.00 -2.13 0.00 0.00 31.29 30.35 1cey h VAL 21 CO 0.00 0.41 -0.33 0.03 -1.23 0.00 0.00 177.57 176.45 1cey h ARG 22 N 0.95 -0.19 0.56 5.19 3.08 -1.35 0.74 114.38 123.36 1cey h ARG 22 Ca 0.17 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1cey h ARG 22 Cb 0.53 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.63 1cey h ARG 22 CO 0.03 -0.13 -0.27 -0.97 -1.07 0.00 0.00 179.97 177.56 1cey h ASN 23 N -0.20 -0.64 -0.98 7.04 -0.73 -1.49 -1.59 115.58 117.01 1cey h ASN 23 Ca 0.21 -0.04 0.15 0.00 1.87 0.00 0.00 56.30 58.49 1cey h ASN 23 Cb 0.54 0.16 -0.16 0.00 0.27 0.00 0.00 38.32 39.14 1cey h ASN 23 CO -0.63 -0.33 -0.39 -0.11 -0.37 0.00 0.00 177.43 175.61 1cey n LEU 24 N -5.34 -0.65 -0.05 0.34 7.94 -0.77 0.11 117.00 118.57 1cey n LEU 24 Ca -0.12 1.70 -0.12 0.00 -1.11 0.00 0.00 56.01 56.37 1cey n LEU 24 Cb 0.33 -0.38 -0.06 0.00 0.53 0.00 0.00 43.42 43.84 1cey n LEU 24 CO 0.33 -1.52 0.77 -0.07 -1.11 0.00 0.00 177.39 175.79 1cey h LEU 25 N 0.00 0.26 -2.57 -1.96 3.38 -0.85 -2.23 115.31 111.35 1cey h LEU 25 Ca 0.33 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1cey h LEU 25 Cb 0.57 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1cey h LEU 25 CO -0.97 0.47 0.02 0.11 0.09 0.00 0.00 178.44 178.17 1cey h LYS 26 N 0.04 0.00 0.00 1.13 1.57 0.49 0.22 116.57 120.02 1cey h LYS 26 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1cey h LYS 26 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1cey h LYS 26 CO 0.00 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.97 1cey n GLU 27 N -3.65 0.16 -0.06 3.15 0.00 0.30 -3.18 120.64 117.35 1cey n GLU 27 Ca -0.03 0.30 -0.18 0.00 0.00 0.00 0.00 57.16 57.25 1cey n GLU 27 Cb 0.10 -1.75 -0.13 0.00 0.00 0.00 0.00 31.44 29.66 1cey n GLU 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1cey n LEU 28 N -2.04 2.51 0.00 4.31 4.77 0.75 -4.98 117.00 122.31 1cey n LEU 28 Ca 0.04 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1cey n LEU 28 Cb 0.28 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1cey n LEU 28 CO 0.22 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1cey n GLY 29 N 2.07 -0.85 3.86 -0.72 0.00 -1.07 -5.07 105.19 103.42 1cey n GLY 29 Ca -0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 3.46 -0.43 1.61 0.40 -1.17 -4.28 117.98 117.57 1cey s PHE 30 Ca 0.00 0.97 0.08 0.00 -0.60 0.00 0.00 56.93 57.39 1cey s PHE 30 Cb 0.00 -2.33 0.30 0.00 0.51 0.00 0.00 43.02 41.50 1cey s PHE 30 CO 0.00 0.28 0.84 -1.71 0.70 0.00 0.00 175.22 175.33 1cey n ASN 31 N 0.05 -1.01 -3.01 1.36 2.85 -1.25 -3.92 115.26 110.32 1cey n ASN 31 Ca -0.00 -3.22 0.04 0.00 -0.11 0.00 0.00 54.58 51.29 1cey n ASN 31 Cb 0.52 0.65 0.00 0.00 1.24 0.00 0.00 39.78 42.19 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1cey s ASN 32 N -1.69 -0.45 0.03 1.20 3.84 -1.26 -5.02 114.94 111.59 1cey s ASN 32 Ca 0.32 -0.06 -0.01 0.00 0.21 0.00 0.00 52.86 53.33 1cey s ASN 32 Cb 0.27 1.00 -0.03 0.00 -0.55 0.00 0.00 41.25 41.95 1cey s ASN 32 CO -0.11 -0.07 -0.02 -0.69 -2.79 0.00 0.00 177.10 173.42 1cey s VAL 33 N 2.56 0.15 0.12 -5.21 1.01 -1.26 -2.17 120.40 115.59 1cey s VAL 33 Ca 0.22 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1cey s VAL 33 Cb -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1cey s VAL 33 CO -0.20 -0.69 0.01 -0.62 0.00 0.00 0.00 175.10 173.61 1cey n GLU 34 N 1.00 1.38 -3.75 2.72 -0.58 -0.69 -4.96 120.64 115.76 1cey n GLU 34 Ca -0.20 -0.89 -0.12 0.00 -0.42 0.00 0.00 57.16 55.53 1cey n GLU 34 Cb 0.57 0.33 -0.07 0.00 -0.57 0.00 0.00 31.44 31.70 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 -2.43 0.79 0.12 3.49 -6.30 -1.26 -2.60 118.70 110.52 1cey s GLU 35 Ca 0.02 -0.44 0.03 0.00 -2.50 0.00 0.00 54.97 52.08 1cey s GLU 35 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 34.13 34.47 1cey s GLU 35 CO 0.01 -0.25 0.11 0.00 0.02 0.00 0.00 175.26 175.15 1cey n ALA 36 N 0.69 0.26 -0.03 6.30 0.00 -0.95 -4.96 120.51 121.81 1cey n ALA 36 Ca -0.19 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1cey n ALA 36 Cb 0.59 0.58 0.00 0.00 0.00 0.00 0.00 19.45 20.61 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 -0.23 0.89 0.00 0.00 1.02 -1.26 -4.02 120.64 117.03 1cey n GLU 37 Ca 0.03 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.80 1cey n GLU 37 Cb 0.22 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 -0.23 0.00 -0.30 1.62 5.68 -1.26 -4.74 116.55 117.32 1cey n ASP 38 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.27 1cey n ASP 38 Cb 0.01 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.18 1.05 6.12 0.00 -1.95 0.73 103.07 110.20 1cey h GLY 39 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 46.95 1cey h GLY 39 CO 0.00 0.34 0.60 -0.24 0.00 0.00 0.00 176.54 177.24 1cey h VAL 40 N 1.02 1.20 0.08 4.60 3.04 -1.99 0.39 116.25 124.59 1cey h VAL 40 Ca 0.32 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1cey h VAL 40 Cb 0.00 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.19 1cey h VAL 40 CO -0.11 0.22 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.85 1cey h ASP 41 N 1.19 -0.09 0.02 3.17 3.58 -1.68 -2.47 116.42 120.14 1cey h ASP 41 Ca 0.35 -0.46 0.02 0.00 0.42 0.00 0.00 57.03 57.36 1cey h ASP 41 Cb -0.07 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1cey h ASP 41 CO -0.09 0.44 -0.53 0.00 -2.88 0.00 0.00 179.24 176.19 1cey h ALA 42 N 0.15 -0.95 -1.11 -0.78 0.00 -0.57 0.39 119.26 116.38 1cey h ALA 42 Ca -0.01 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.15 1cey h ALA 42 Cb 0.54 0.94 -0.13 0.00 0.00 0.00 0.00 17.79 19.15 1cey h ALA 42 CO 0.02 -1.11 0.68 1.25 0.00 0.00 0.00 179.25 180.09 1cey h LEU 43 N -0.68 0.42 -0.21 0.00 5.85 -0.98 1.76 115.31 121.48 1cey h LEU 43 Ca 0.01 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 1cey h LEU 43 Cb 0.72 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1cey h LEU 43 CO -0.35 -0.08 -0.31 0.78 -0.34 0.00 0.00 178.44 178.14 1cey h ASN 44 N 0.28 0.64 0.17 1.25 2.35 0.09 -3.16 115.58 117.20 1cey h ASN 44 Ca 0.72 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1cey h ASN 44 Cb 1.88 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 40.07 1cey h ASN 44 CO -0.46 1.03 -0.19 1.17 -1.65 0.00 0.00 177.43 177.33 1cey n LYS 45 N -4.32 1.05 0.10 0.81 3.00 0.12 -3.88 118.16 115.04 1cey n LYS 45 Ca -0.05 -0.61 -0.05 0.00 -0.00 0.00 0.00 58.31 57.59 1cey n LYS 45 Cb 0.48 -1.49 0.08 0.00 0.00 0.00 0.00 35.03 34.10 1cey n LYS 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1cey h LEU 46 N 1.50 0.16 -2.07 3.14 7.12 0.25 -2.82 115.31 122.58 1cey h LEU 46 Ca 0.00 -0.11 0.01 0.00 0.13 0.00 0.00 57.88 57.91 1cey h LEU 46 Cb 0.50 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1cey h LEU 46 CO 0.00 0.82 0.31 0.06 -0.13 0.00 0.00 178.44 179.51 1cey h GLN 47 N 0.09 0.00 -0.26 1.25 3.07 -1.67 -2.51 115.11 115.07 1cey h GLN 47 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.75 1cey h GLN 47 Cb 1.27 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.78 1cey h GLN 47 CO 0.10 0.00 -0.37 0.00 0.09 0.00 0.00 178.83 178.66 1cey h ALA 48 N 1.40 -0.62 -0.20 0.06 0.00 -1.76 -3.48 119.26 114.65 1cey h ALA 48 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 48 Cb 0.64 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1cey h ALA 48 CO -0.00 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 178.87 1cey n GLY 49 N -1.25 0.41 0.00 0.00 0.00 -0.95 -5.03 105.19 98.38 1cey n GLY 49 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 2.66 0.85 3.54 -0.02 0.00 -1.26 -5.05 105.19 105.91 1cey n GLY 50 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1cey n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1cey n TYR 51 N 0.00 1.67 0.12 1.61 4.01 -1.26 -4.29 117.16 119.03 1cey n TYR 51 Ca 0.00 -0.85 0.01 0.00 -0.16 0.00 0.00 57.90 56.91 1cey n TYR 51 Cb 0.00 -2.42 0.06 0.00 -0.31 0.00 0.00 39.34 36.67 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 5.79 -0.24 3.12 2.72 0.00 -1.12 -4.35 105.19 111.12 1cey n GLY 52 Ca 0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.33 -0.41 -0.09 1.61 5.36 -0.82 -3.43 117.98 117.87 1cey s PHE 53 Ca 0.03 0.93 0.02 0.00 -0.96 0.00 0.00 56.93 56.94 1cey s PHE 53 Cb 0.02 0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.82 1cey s PHE 53 CO 0.03 -0.26 -0.13 0.08 -1.46 0.00 0.00 175.22 173.48 1cey s VAL 54 N 1.26 1.31 -0.21 3.12 1.01 -1.07 -2.12 120.40 123.69 1cey s VAL 54 Ca -0.09 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1cey s VAL 54 Cb -0.09 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1cey s VAL 54 CO -0.09 0.40 0.06 -0.63 0.00 0.00 0.00 175.10 174.84 1cey s ILE 55 N 0.91 4.51 -0.02 2.22 1.01 0.71 -2.18 121.20 128.36 1cey s ILE 55 Ca -0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1cey s ILE 55 Cb -0.15 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1cey s ILE 55 CO 0.00 0.40 0.08 -0.94 0.00 0.00 0.00 174.94 174.48 1cey s SER 56 N 0.99 -0.04 0.00 3.58 1.04 -1.26 -1.67 113.70 116.34 1cey s SER 56 Ca 0.04 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1cey s SER 56 Cb -0.14 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1cey s SER 56 CO 0.03 -0.11 0.00 0.47 0.98 0.00 0.00 173.24 174.61 1cey n ASP 57 N 2.64 0.00 -3.64 7.02 8.00 -1.26 -1.23 116.55 128.09 1cey n ASP 57 Ca -0.15 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.30 1cey n ASP 57 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.62 1cey n ASP 57 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1cey s TRP 58 N 0.00 -0.50 -0.19 1.24 -0.11 -1.24 -4.11 118.94 114.04 1cey s TRP 58 Ca 0.00 1.08 -0.01 0.00 1.22 0.00 0.00 56.10 58.38 1cey s TRP 58 Cb 0.00 0.35 0.01 0.00 -1.50 0.00 0.00 33.47 32.33 1cey s TRP 58 CO 0.00 -0.24 0.03 -1.71 -4.62 0.00 0.00 176.95 170.40 1cey n ASN 59 N 3.03 -6.72 0.00 5.86 5.15 -1.26 -4.89 115.26 116.44 1cey n ASN 59 Ca -0.16 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.92 1cey n ASN 59 Cb 0.57 -4.02 0.00 0.00 -0.53 0.00 0.00 39.78 35.80 1cey n ASN 59 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1cey n MET 60 N 1.11 0.00 0.23 1.20 0.00 -1.26 -4.92 117.12 113.48 1cey n MET 60 Ca -0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.70 57.56 1cey n MET 60 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.40 1cey n MET 60 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1cey h PRO 61 N 0.00 -0.59 0.00 2.12 0.14 -1.96 -3.44 132.00 128.28 1cey h PRO 61 Ca 0.00 0.04 0.00 0.00 0.14 0.00 0.00 66.00 66.18 1cey h PRO 61 Cb 0.00 0.13 0.00 0.00 0.14 0.00 0.00 31.00 31.27 1cey h PRO 61 CO 0.00 -0.39 -0.68 0.27 0.14 0.00 0.00 178.00 177.33 1cey n ASN 62 N -4.01 2.78 0.00 1.44 0.23 -1.26 -5.00 115.26 109.43 1cey n ASN 62 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 1cey n ASN 62 Cb 0.24 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 1cey n ASN 62 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1cey n MET 63 N -2.15 0.00 0.00 -3.83 0.00 -1.26 -5.12 117.12 104.76 1cey n MET 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1cey n MET 63 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.56 1cey n MET 63 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1cey n ASP 64 N -0.19 0.00 0.04 6.12 5.68 -1.26 -4.10 116.55 122.84 1cey n ASP 64 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 1cey n ASP 64 Cb 0.00 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 65 N 0.00 -0.31 0.41 6.12 0.00 -1.26 -0.76 105.19 109.39 1cey n GLY 65 Ca 0.00 0.02 0.22 0.00 0.00 0.00 0.00 46.02 46.26 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 0.38 -0.48 0.99 3.38 -1.96 2.53 115.31 120.15 1cey h LEU 66 Ca 0.00 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1cey h LEU 66 Cb 0.57 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1cey h LEU 66 CO 0.00 0.12 -0.74 -0.33 0.09 0.00 0.00 178.44 177.58 1cey h GLU 67 N 0.36 0.00 0.03 1.13 5.08 -1.37 -1.87 114.58 117.94 1cey h GLU 67 Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1cey h GLU 67 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1cey h GLU 67 CO -0.21 0.74 -0.01 1.25 -1.00 0.00 0.00 179.01 179.78 1cey h LEU 68 N 0.00 -0.03 -0.16 1.33 5.85 0.36 -2.58 115.31 120.08 1cey h LEU 68 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1cey h LEU 68 Cb 1.33 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1cey h LEU 68 CO 0.10 0.01 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.02 1cey h LEU 69 N -0.11 -0.42 -0.87 2.25 3.38 0.13 -0.36 115.31 119.31 1cey h LEU 69 Ca -0.00 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.19 1cey h LEU 69 Cb 0.03 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 40.80 1cey h LEU 69 CO 0.01 -0.06 -0.28 0.50 0.09 0.00 0.00 178.44 178.69 1cey h LYS 70 N -0.03 -0.03 -1.03 1.13 3.64 -1.50 1.17 116.57 119.93 1cey h LYS 70 Ca 0.03 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 59.66 1cey h LYS 70 Cb 0.10 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.83 1cey h LYS 70 CO -0.16 -0.02 0.66 1.15 -2.27 0.00 0.00 179.45 178.81 1cey h THR 71 N -0.03 0.54 -0.31 1.00 2.02 -0.65 0.31 112.91 115.79 1cey h THR 71 Ca 0.37 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 1cey h THR 71 Cb 0.62 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1cey h THR 71 CO -0.89 0.08 0.09 0.40 0.37 0.00 0.00 175.52 175.56 1cey h ILE 72 N 0.42 1.21 -1.00 3.11 2.04 0.20 -2.54 117.51 120.96 1cey h ILE 72 Ca 0.59 -0.68 0.20 0.00 1.00 0.00 0.00 64.86 65.96 1cey h ILE 72 Cb 1.44 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 38.49 1cey h ILE 72 CO -0.30 0.23 0.61 0.03 0.00 0.00 0.00 178.15 178.73 1cey h ARG 73 N 0.34 0.69 -0.32 2.37 3.08 0.02 0.57 114.38 121.14 1cey h ARG 73 Ca 0.10 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.20 1cey h ARG 73 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1cey h ARG 73 CO -0.00 0.46 0.25 0.00 -1.07 0.00 0.00 179.97 179.61 1cey h ALA 74 N 1.65 2.18 -1.98 0.04 0.00 -1.05 -3.40 119.26 116.70 1cey h ALA 74 Ca 0.58 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 54.90 1cey h ALA 74 Cb 0.97 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1cey h ALA 74 CO -0.37 -0.42 1.37 0.34 0.00 0.00 0.00 179.25 180.17 1cey s ASP 75 N -6.23 5.76 0.61 0.00 -1.08 0.20 -4.73 116.67 111.19 1cey s ASP 75 Ca -0.05 1.74 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 1cey s ASP 75 Cb 0.18 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1cey s ASP 75 CO 0.66 -1.74 0.00 0.61 0.52 0.00 0.00 175.17 175.21 1cey n GLY 76 N 5.46 2.83 2.78 2.66 0.00 -1.26 -3.42 105.19 114.23 1cey n GLY 76 Ca 0.26 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 9.83 2.69 -0.52 4.61 0.00 -1.26 -4.85 120.51 131.01 1cey n ALA 77 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 53.44 51.28 1cey n ALA 77 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1cey n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cey n MET 78 N -0.91 0.32 0.00 0.00 -0.00 -1.22 -5.11 117.12 110.20 1cey n MET 78 Ca -0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 57.70 57.58 1cey n MET 78 Cb 0.83 -0.51 0.00 0.00 -0.00 0.00 0.00 33.22 33.53 1cey n MET 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1cey n SER 79 N -0.08 0.00 -2.29 3.17 2.88 -1.25 -2.94 113.62 113.11 1cey n SER 79 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1cey n SER 79 Cb 0.13 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.62 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 7.60 4.25 -0.37 -1.46 0.00 -1.26 -4.84 120.51 124.43 1cey n ALA 80 Ca 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1cey n ALA 80 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N -0.67 0.00 -4.62 0.00 4.77 -1.15 -4.44 117.00 110.89 1cey n LEU 81 Ca 0.32 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.96 1cey n LEU 81 Cb 0.91 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 42.11 1cey n LEU 81 CO 0.30 -0.32 0.53 -2.65 -1.33 0.00 0.00 177.39 173.92 1cey n PRO 82 N -0.26 0.17 -3.96 3.23 -0.02 -1.22 -4.87 135.00 128.07 1cey n PRO 82 Ca 0.00 0.12 -0.15 0.00 -2.02 0.00 0.00 63.50 61.46 1cey n PRO 82 Cb 0.00 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.08 1cey n PRO 82 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1cey s VAL 83 N -2.10 0.16 -0.76 -1.45 1.01 -1.22 -2.61 120.40 113.43 1cey s VAL 83 Ca 0.70 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1cey s VAL 83 Cb -0.30 -0.19 0.25 0.00 0.00 0.00 0.00 36.38 36.14 1cey s VAL 83 CO 0.54 0.09 0.86 -0.11 0.00 0.00 0.00 175.10 176.48 1cey n LEU 84 N 3.51 4.24 -4.63 3.92 7.94 -0.93 -0.10 117.00 130.95 1cey n LEU 84 Ca -0.19 -5.34 -0.31 0.00 -1.11 0.00 0.00 56.01 49.06 1cey n LEU 84 Cb 0.55 -0.85 0.16 0.00 0.53 0.00 0.00 43.42 43.82 1cey n LEU 84 CO 0.24 1.89 0.57 1.15 -1.11 0.00 0.00 177.39 180.14 1cey n MET 85 N 1.24 -0.46 -4.74 1.96 0.00 0.53 -4.21 117.12 111.44 1cey n MET 85 Ca 0.27 -0.07 -0.24 0.00 0.00 0.00 0.00 57.70 57.66 1cey n MET 85 Cb 0.38 -2.31 -0.15 0.00 0.00 0.00 0.00 33.22 31.14 1cey n MET 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cey s VAL 86 N -2.60 1.24 0.24 3.17 1.01 -0.36 -2.50 120.40 120.59 1cey s VAL 86 Ca 0.66 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1cey s VAL 86 Cb -0.23 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1cey s VAL 86 CO 0.59 0.35 0.35 1.07 0.00 0.00 0.00 175.10 177.46 1cey n THR 87 N 2.74 0.00 -4.19 3.92 5.66 -1.07 -3.63 114.28 117.72 1cey n THR 87 Ca -0.15 -1.11 -0.17 0.00 -3.05 0.00 0.00 64.05 59.57 1cey n THR 87 Cb 0.54 0.71 -0.12 0.00 -1.55 0.00 0.00 70.33 69.91 1cey n THR 87 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cey s ALA 88 N -2.29 0.92 -1.30 1.79 0.00 -1.26 0.11 121.76 119.73 1cey s ALA 88 Ca 0.18 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 1cey s ALA 88 Cb -0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.03 1cey s ALA 88 CO 0.13 0.12 0.59 -1.91 0.00 0.00 0.00 175.76 174.69 1cey n GLU 89 N 1.66 -2.85 -1.56 0.00 2.13 -1.26 -4.80 120.64 113.96 1cey n GLU 89 Ca -0.20 0.46 -0.44 0.00 0.66 0.00 0.00 57.16 57.63 1cey n GLU 89 Cb 0.55 -4.49 -0.01 0.00 0.27 0.00 0.00 31.44 27.76 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cey n ALA 90 N -4.31 -0.59 -1.49 4.31 0.00 -1.26 -4.96 120.51 112.21 1cey n ALA 90 Ca -0.24 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1cey n ALA 90 Cb 0.65 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1cey n ALA 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1cey n LYS 91 N 0.69 0.00 0.00 0.00 5.02 -1.26 -5.10 118.16 117.51 1cey n LYS 91 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1cey n LYS 91 Cb 0.32 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1cey n LYS 92 N -0.27 0.00 0.00 1.97 4.76 -1.26 -4.91 118.16 118.46 1cey n LYS 92 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1cey n LYS 92 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1cey n LYS 92 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cey n GLU 93 N 0.00 0.00 0.07 1.97 1.02 -1.26 0.11 120.64 122.55 1cey n GLU 93 Ca 0.00 0.27 0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1cey n GLU 93 Cb 0.00 -1.57 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1cey n GLU 93 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1cey n ASN 94 N -1.24 0.86 -0.22 1.62 3.02 -1.26 -3.82 115.26 114.22 1cey n ASN 94 Ca 0.00 0.35 0.13 0.00 -0.03 0.00 0.00 54.58 55.03 1cey n ASN 94 Cb 0.07 0.31 0.38 0.00 -0.61 0.00 0.00 39.78 39.93 1cey n ASN 94 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1cey n ILE 95 N -2.77 0.00 -0.02 2.41 2.08 0.12 -3.81 119.36 117.36 1cey n ILE 95 Ca -0.04 -0.11 -0.01 0.00 0.56 0.00 0.00 62.75 63.14 1cey n ILE 95 Cb 0.68 0.36 -0.00 0.00 -0.75 0.00 0.00 39.64 39.93 1cey n ILE 95 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1cey h ILE 96 N 1.08 0.00 -0.97 1.39 2.04 -1.65 -3.18 117.51 116.22 1cey h ILE 96 Ca 0.00 -0.31 0.27 0.00 1.00 0.00 0.00 64.86 65.82 1cey h ILE 96 Cb 0.50 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.44 1cey h ILE 96 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.65 1cey h ALA 97 N -1.69 1.73 0.55 1.87 0.00 -1.77 0.45 119.26 120.39 1cey h ALA 97 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1cey h ALA 97 Cb 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1cey h ALA 97 CO 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 179.25 178.47 1cey h ALA 98 N 1.78 -0.86 -0.72 0.00 0.00 -1.74 -2.68 119.26 115.05 1cey h ALA 98 Ca 0.66 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.53 1cey h ALA 98 Cb 1.37 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 19.49 1cey h ALA 98 CO -0.57 -1.00 0.27 0.00 0.00 0.00 0.00 179.25 177.95 1cey h ALA 99 N -0.47 0.98 -0.65 0.00 0.00 -0.93 0.53 119.26 118.73 1cey h ALA 99 Ca -0.07 0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.15 1cey h ALA 99 Cb 0.69 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1cey h ALA 99 CO 0.07 -0.22 0.65 1.96 0.00 0.00 0.00 179.25 181.70 1cey h GLN 100 N 0.42 0.00 0.00 0.00 4.20 -0.95 -3.36 115.11 115.42 1cey h GLN 100 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1cey h GLN 100 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1cey h GLN 100 CO -0.39 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.77 1cey n ALA 101 N -2.41 0.00 0.00 3.87 0.00 0.19 -4.99 120.51 117.17 1cey n ALA 101 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1cey n ALA 101 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 0.83 0.04 0.00 0.00 -1.22 -4.68 105.19 105.17 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 -0.86 1.31 -0.27 4.61 0.00 -1.19 -3.40 120.51 120.72 1cey n ALA 103 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1cey n ALA 103 Cb 0.00 -0.90 0.35 0.00 0.00 0.00 0.00 19.45 18.90 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 0.07 -4.64 0.00 7.64 -1.26 -3.89 113.62 111.17 1cey n SER 104 Ca 0.00 0.63 -0.36 0.00 1.01 0.00 0.00 58.87 60.15 1cey n SER 104 Cb 0.00 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.56 1.95 -0.05 0.23 0.00 0.85 -4.92 107.32 101.83 1cey s GLY 105 Ca -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 44.72 43.80 1cey s GLY 105 CO 0.41 0.32 0.09 -0.47 0.00 0.00 0.00 173.10 173.45 1cey s TYR 106 N 0.92 -0.04 -0.13 1.90 5.04 -1.25 -0.34 117.35 123.44 1cey s TYR 106 Ca 0.06 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.06 1cey s TYR 106 Cb -0.13 -0.30 0.02 0.00 0.35 0.00 0.00 41.96 41.89 1cey s TYR 106 CO 0.03 -0.18 -0.17 0.54 -1.34 0.00 0.00 175.55 174.43 1cey s VAL 107 N 1.76 1.67 -0.64 3.14 0.11 -1.04 -4.99 120.40 120.41 1cey s VAL 107 Ca -0.01 -0.73 -0.27 0.00 -2.93 0.00 0.00 61.98 58.04 1cey s VAL 107 Cb -0.12 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.22 1cey s VAL 107 CO -0.04 0.47 1.45 0.54 -3.33 0.00 0.00 175.10 174.19 1cey s VAL 108 N 1.08 3.68 0.89 2.04 0.11 -1.26 -2.60 120.40 124.33 1cey s VAL 108 Ca -0.03 0.48 -0.11 0.00 -2.93 0.00 0.00 61.98 59.39 1cey s VAL 108 Cb -0.14 -4.52 0.13 0.00 -1.53 0.00 0.00 36.38 30.31 1cey s VAL 108 CO -0.04 -1.38 1.11 -1.59 -3.33 0.00 0.00 175.10 169.88 1cey s LYS 109 N 5.89 1.28 0.75 1.54 -2.85 0.30 -4.56 119.74 122.10 1cey s LYS 109 Ca 0.49 1.30 -0.11 0.00 -1.00 0.00 0.00 55.97 56.64 1cey s LYS 109 Cb -0.10 -1.78 0.04 0.00 -2.06 0.00 0.00 37.83 33.94 1cey s LYS 109 CO 0.20 -2.36 1.09 -1.25 0.10 0.00 0.00 175.35 173.13 1cey s PRO 110 N -4.75 2.45 0.08 1.78 0.05 -1.26 -4.57 135.00 128.79 1cey s PRO 110 Ca 0.65 0.68 -0.05 0.00 0.05 0.00 0.00 61.00 62.33 1cey s PRO 110 Cb -0.21 -1.96 -0.02 0.00 0.05 0.00 0.00 34.50 32.36 1cey s PRO 110 CO 0.58 -1.37 0.09 -0.59 0.05 0.00 0.00 177.00 175.76 1cey s PHE 111 N -3.17 0.41 0.11 0.56 -0.12 -1.26 -5.10 117.98 109.40 1cey s PHE 111 Ca 0.60 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 56.62 1cey s PHE 111 Cb -0.14 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1cey s PHE 111 CO 0.54 -0.49 0.20 0.99 -0.05 0.00 0.00 175.22 176.41 1cey s THR 112 N -3.91 5.08 -0.02 -4.49 2.01 -1.26 -4.90 115.64 108.14 1cey s THR 112 Ca 0.09 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.53 1cey s THR 112 Cb 0.06 -3.53 0.09 0.00 0.01 0.00 0.00 72.50 69.13 1cey s THR 112 CO -0.08 0.03 1.14 0.00 -0.69 0.00 0.00 174.62 175.01 1cey n ALA 113 N -0.03 0.52 0.07 7.40 0.00 -1.26 0.12 120.51 127.33 1cey n ALA 113 Ca -0.07 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 113 Cb 0.53 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 19.21 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 1.00 -0.00 0.43 0.00 0.00 -1.98 -0.97 119.26 117.74 1cey h ALA 114 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 1cey h ALA 114 Cb 0.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1cey h ALA 114 CO 0.00 0.60 -0.21 1.79 0.00 0.00 0.00 179.25 181.43 1cey h THR 115 N 0.15 0.00 -1.03 0.00 1.35 0.56 -0.65 112.91 113.28 1cey h THR 115 Ca -0.17 -0.38 0.26 0.00 -0.55 0.00 0.00 66.41 65.58 1cey h THR 115 Cb 1.79 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 68.10 1cey h THR 115 CO 0.21 0.00 0.64 0.25 -0.25 0.00 0.00 175.52 176.38 1cey h LEU 116 N -0.96 0.53 0.63 3.87 5.85 -1.57 -0.38 115.31 123.28 1cey h LEU 116 Ca -0.06 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1cey h LEU 116 Cb 0.44 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1cey h LEU 116 CO 0.10 0.09 -0.30 -0.08 -0.34 0.00 0.00 178.44 177.90 1cey h GLU 117 N 0.46 -0.81 -0.12 1.25 4.57 -1.02 -1.78 114.58 117.13 1cey h GLU 117 Ca 0.62 0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.87 1cey h GLU 117 Cb 1.43 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 30.18 1cey h GLU 117 CO -0.37 -0.53 -0.17 1.49 -1.18 0.00 0.00 179.01 178.25 1cey h GLU 118 N -0.87 -0.12 -0.81 1.92 4.57 0.53 0.79 114.58 120.59 1cey h GLU 118 Ca -0.09 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.34 1cey h GLU 118 Cb 0.66 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 1cey h GLU 118 CO 0.14 -0.08 0.84 0.87 -1.18 0.00 0.00 179.01 179.60 1cey h LYS 119 N -0.13 0.00 0.00 1.92 1.57 -1.46 0.25 116.57 118.73 1cey h LYS 119 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1cey h LYS 119 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1cey h LYS 119 CO -0.18 0.00 0.00 -0.11 -0.57 0.00 0.00 179.45 178.59 1cey n LEU 120 N -3.58 0.81 0.30 2.94 -0.00 0.27 -1.49 117.00 116.25 1cey n LEU 120 Ca 0.17 0.46 0.14 0.00 -0.00 0.00 0.00 56.01 56.78 1cey n LEU 120 Cb 1.11 -0.16 0.73 0.00 -0.00 0.00 0.00 43.42 45.10 1cey n LEU 120 CO 0.28 -0.16 1.07 0.78 -0.00 0.00 0.00 177.39 179.36 1cey h ASN 121 N 0.00 0.00 1.49 1.96 -0.26 -0.91 0.38 115.58 118.24 1cey h ASN 121 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1cey h ASN 121 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1cey h ASN 121 CO 0.00 0.00 -0.53 0.50 -1.06 0.00 0.00 177.43 176.34 1cey h LYS 122 N 0.00 0.00 0.12 0.81 1.63 -0.92 -3.29 116.57 114.92 1cey h LYS 122 Ca 0.00 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.45 1cey h LYS 122 Cb 0.66 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 1cey h LYS 122 CO 0.00 0.30 -1.92 0.82 -3.45 0.00 0.00 179.45 175.21 1cey h ILE 123 N 0.00 0.67 0.00 2.00 2.04 0.87 -3.32 117.51 119.77 1cey h ILE 123 Ca -0.02 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1cey h ILE 123 Cb 1.28 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1cey h ILE 123 CO 0.04 0.85 0.00 0.49 0.00 0.00 0.00 178.15 179.53 1cey n PHE 124 N -3.58 0.00 0.22 1.37 3.01 -0.90 -1.28 117.46 116.31 1cey n PHE 124 Ca -0.31 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.23 1cey n PHE 124 Cb 1.02 -0.28 0.52 0.00 -0.01 0.00 0.00 39.48 40.72 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 0.06 -1.08 4.81 -1.66 0.77 114.58 117.48 1cey h GLU 125 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1cey h GLU 125 Cb 0.08 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1cey h GLU 125 CO 0.00 0.25 -1.90 1.63 -0.73 0.00 0.00 179.01 178.26 1cey n LYS 126 N -3.74 0.70 0.21 1.92 4.76 -0.40 -3.81 118.16 117.80 1cey n LYS 126 Ca -0.01 0.27 0.09 0.00 -2.87 0.00 0.00 58.31 55.78 1cey n LYS 126 Cb 0.35 -1.73 0.43 0.00 -1.84 0.00 0.00 35.03 32.24 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 0.04 0.00 -2.22 -0.35 7.12 -1.39 -3.48 115.31 115.03 1cey h LEU 127 Ca -0.37 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.63 1cey h LEU 127 Cb 2.03 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.16 1cey h LEU 127 CO 0.08 0.26 -0.95 0.61 -0.13 0.00 0.00 178.44 178.30 1cey n GLY 128 N 0.17 -3.84 0.00 3.75 0.00 0.26 -5.07 105.19 100.46 1cey n GLY 128 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35