#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 -8.26 -0.67 0.00 8.00 -1.26 -4.69 116.55 109.66 1cey n ASP 3 Ca 0.00 1.13 0.08 0.00 0.71 0.00 0.00 54.79 56.71 1cey n ASP 3 Cb 0.00 -4.11 0.25 0.00 -0.02 0.00 0.00 41.12 37.24 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1cey n LYS 4 N 0.26 1.85 -2.72 -1.24 4.76 -1.26 -4.26 118.16 115.55 1cey n LYS 4 Ca 0.00 -1.31 -0.05 0.00 -2.87 0.00 0.00 58.31 54.08 1cey n LYS 4 Cb 0.00 -1.34 0.07 0.00 -1.84 0.00 0.00 35.03 31.91 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1cey n GLU 5 N 0.55 1.35 -2.66 1.97 1.02 -1.26 -2.96 120.64 118.65 1cey n GLU 5 Ca 0.14 -2.79 -0.40 0.00 -0.02 0.00 0.00 57.16 54.09 1cey n GLU 5 Cb 0.34 -0.90 -0.05 0.00 -0.02 0.00 0.00 31.44 30.80 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 -3.47 4.58 -0.16 -4.62 2.96 -1.26 -4.84 118.68 111.87 1cey s LEU 6 Ca 0.24 2.00 -0.29 0.00 -0.22 0.00 0.00 54.13 55.86 1cey s LEU 6 Cb 0.41 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.48 1cey s LEU 6 CO -0.03 0.01 1.05 -0.54 -1.32 0.00 0.00 176.35 175.52 1cey s LYS 7 N -0.92 4.34 0.09 1.98 1.02 -1.26 -4.55 119.74 120.44 1cey s LYS 7 Ca 0.44 1.42 0.07 0.00 0.02 0.00 0.00 55.97 57.91 1cey s LYS 7 Cb -0.27 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1cey s LYS 7 CO 0.34 -0.48 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.13 1cey s PHE 8 N 2.60 2.75 -0.26 3.18 0.40 -0.87 -0.81 117.98 124.97 1cey s PHE 8 Ca 0.47 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.67 1cey s PHE 8 Cb -0.18 -1.45 0.07 0.00 0.51 0.00 0.00 43.02 41.97 1cey s PHE 8 CO 0.13 0.42 -0.02 -1.17 0.70 0.00 0.00 175.22 175.28 1cey s LEU 9 N -2.12 2.94 -0.08 -0.37 2.96 -0.78 -1.97 118.68 119.27 1cey s LEU 9 Ca 0.21 -1.41 -0.19 0.00 -0.22 0.00 0.00 54.13 52.52 1cey s LEU 9 Cb -0.11 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1cey s LEU 9 CO 0.13 -0.28 0.54 -0.69 -1.32 0.00 0.00 176.35 174.73 1cey s VAL 10 N 1.32 5.10 -0.22 1.68 1.01 -1.05 -1.31 120.40 126.93 1cey s VAL 10 Ca -0.01 1.09 0.22 0.00 0.00 0.00 0.00 61.98 63.28 1cey s VAL 10 Cb -0.19 -3.87 0.49 0.00 0.00 0.00 0.00 36.38 32.81 1cey s VAL 10 CO -0.09 0.34 1.13 0.52 0.00 0.00 0.00 175.10 177.00 1cey n VAL 11 N 3.40 1.15 0.82 2.92 0.31 -0.78 -2.03 118.33 124.13 1cey n VAL 11 Ca -0.06 -2.69 0.00 0.00 -0.01 0.00 0.00 64.34 61.58 1cey n VAL 11 Cb 0.51 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.52 1cey n VAL 11 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1cey n ASP 12 N -0.43 1.29 0.00 4.52 -0.08 -1.26 -4.27 116.55 116.32 1cey n ASP 12 Ca 0.09 -1.64 0.00 0.00 -1.51 0.00 0.00 54.79 51.74 1cey n ASP 12 Cb 0.87 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1cey n ASP 12 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1cey n ASP 13 N 0.23 0.00 -0.29 1.67 9.92 -1.26 -4.86 116.55 121.97 1cey n ASP 13 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1cey n ASP 13 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 14.00 -1.21 -0.06 1.24 3.72 -1.26 -4.62 117.46 129.27 1cey n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1cey n PHE 14 Cb 0.00 0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1cey n SER 15 N -3.67 0.00 0.00 4.37 2.88 -1.26 -4.83 113.62 111.11 1cey n SER 15 Ca 0.00 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1cey n SER 15 Cb 0.00 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.03 0.00 0.00 2.46 5.66 -1.26 -4.77 114.28 116.33 1cey n THR 16 Ca 0.00 -0.19 -0.12 0.00 -3.05 0.00 0.00 64.05 60.69 1cey n THR 16 Cb 0.01 0.72 -0.08 0.00 -1.55 0.00 0.00 70.33 69.44 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 0.06 -0.84 1.09 -1.53 -1.88 -2.86 114.93 108.98 1cey h MET 17 Ca 0.00 -0.01 0.21 0.00 -3.44 0.00 0.00 59.70 56.46 1cey h MET 17 Cb 0.00 -0.01 -0.14 0.00 -0.55 0.00 0.00 31.60 30.91 1cey h MET 17 CO 0.00 0.25 0.17 0.00 0.14 0.00 0.00 176.91 177.47 1cey h ARG 18 N -0.14 0.18 -0.40 0.39 3.08 -1.86 0.61 114.38 116.23 1cey h ARG 18 Ca 0.01 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1cey h ARG 18 Cb 0.22 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 1cey h ARG 18 CO -0.00 0.12 -0.08 -0.09 -1.07 0.00 0.00 179.97 178.85 1cey h ARG 19 N 0.19 0.02 -0.20 0.04 2.43 -1.82 0.11 114.38 115.14 1cey h ARG 19 Ca 0.50 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.72 1cey h ARG 19 Cb 0.97 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.44 1cey h ARG 19 CO -0.65 0.01 -0.35 0.82 -1.51 0.00 0.00 179.97 178.29 1cey h ILE 20 N 0.02 0.23 -0.51 1.20 2.04 -0.87 -1.93 117.51 117.69 1cey h ILE 20 Ca 0.20 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.97 1cey h ILE 20 Cb 0.30 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1cey h ILE 20 CO -0.40 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.28 1cey h VAL 21 N -0.39 1.26 -0.32 1.67 2.07 -1.33 -2.15 116.25 117.06 1cey h VAL 21 Ca 0.11 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1cey h VAL 21 Cb 0.57 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 1cey h VAL 21 CO -0.42 0.40 -0.49 0.03 0.02 0.00 0.00 177.57 177.12 1cey h ARG 22 N 0.81 -0.40 0.49 1.57 2.47 -0.01 0.96 114.38 120.27 1cey h ARG 22 Ca 0.14 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 1cey h ARG 22 Cb 0.55 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1cey h ARG 22 CO 0.03 -0.27 -0.23 -0.97 0.56 0.00 0.00 179.97 179.09 1cey h ASN 23 N -0.42 -0.55 -1.00 7.04 -0.73 -1.46 -2.14 115.58 116.33 1cey h ASN 23 Ca 0.09 -0.04 0.23 0.00 1.87 0.00 0.00 56.30 58.46 1cey h ASN 23 Cb 0.61 0.14 -0.19 0.00 0.27 0.00 0.00 38.32 39.16 1cey h ASN 23 CO -0.53 -0.30 -0.13 0.25 -0.37 0.00 0.00 177.43 176.34 1cey h LEU 24 N -0.78 -0.73 -0.05 0.34 5.85 -0.83 0.81 115.31 119.92 1cey h LEU 24 Ca -0.07 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1cey h LEU 24 Cb 0.56 0.56 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1cey h LEU 24 CO 0.11 -0.34 0.01 -0.07 -0.34 0.00 0.00 178.44 177.81 1cey h LEU 25 N 0.00 0.07 -1.14 2.25 3.38 -0.66 -2.32 115.31 116.89 1cey h LEU 25 Ca 0.53 -0.22 0.25 0.00 0.09 0.00 0.00 57.88 58.53 1cey h LEU 25 Cb 0.96 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.58 1cey h LEU 25 CO -0.99 0.27 0.63 0.50 0.09 0.00 0.00 178.44 178.94 1cey h LYS 26 N -0.14 0.51 -0.54 1.13 3.64 0.12 1.09 116.57 122.37 1cey h LYS 26 Ca 0.01 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1cey h LYS 26 Cb 0.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1cey h LYS 26 CO 0.00 0.34 0.36 1.49 -2.27 0.00 0.00 179.45 179.37 1cey h GLU 27 N 0.52 0.65 0.00 1.90 4.22 -0.13 0.40 114.58 122.14 1cey h GLU 27 Ca 0.62 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 60.02 1cey h GLU 27 Cb 1.31 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1cey h GLU 27 CO -0.40 0.43 0.00 1.28 -2.18 0.00 0.00 179.01 178.14 1cey n LEU 28 N -4.46 0.00 -0.12 1.64 4.77 0.37 -4.84 117.00 114.36 1cey n LEU 28 Ca 0.06 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1cey n LEU 28 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1cey n LEU 28 CO 0.35 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1cey n GLY 29 N 0.63 0.88 3.74 -0.72 0.00 0.14 -4.88 105.19 104.97 1cey n GLY 29 Ca 0.14 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.23 3.24 -0.38 1.61 0.08 -1.14 -4.34 117.98 114.81 1cey s PHE 30 Ca 0.00 0.21 0.10 0.00 0.12 0.00 0.00 56.93 57.37 1cey s PHE 30 Cb 0.00 -1.76 0.32 0.00 -0.57 0.00 0.00 43.02 41.00 1cey s PHE 30 CO 0.00 0.53 0.70 0.09 -0.10 0.00 0.00 175.22 176.44 1cey n ASN 31 N 1.63 0.36 -2.95 1.36 3.02 -1.16 -4.07 115.26 113.45 1cey n ASN 31 Ca -0.16 -2.98 0.03 0.00 -0.03 0.00 0.00 54.58 51.44 1cey n ASN 31 Cb 0.53 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1cey s ASN 32 N -2.00 -0.55 -0.01 6.41 3.84 -1.26 -4.96 114.94 116.41 1cey s ASN 32 Ca 0.37 -0.16 -0.15 0.00 0.21 0.00 0.00 52.86 53.13 1cey s ASN 32 Cb 0.29 0.92 0.02 0.00 -0.55 0.00 0.00 41.25 41.94 1cey s ASN 32 CO -0.09 -0.08 0.33 0.54 -2.79 0.00 0.00 177.10 175.01 1cey s VAL 33 N 2.29 0.06 0.02 -5.21 0.11 -1.26 -2.05 120.40 114.36 1cey s VAL 33 Ca 0.18 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 1cey s VAL 33 Cb 0.00 -0.68 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1cey s VAL 33 CO -0.17 -0.27 0.00 -0.62 -3.33 0.00 0.00 175.10 170.72 1cey n GLU 34 N 1.15 1.41 -3.84 1.54 1.02 -0.83 -4.97 120.64 116.12 1cey n GLU 34 Ca -0.21 -0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 56.65 1cey n GLU 34 Cb 0.57 0.08 -0.08 0.00 -0.02 0.00 0.00 31.44 31.99 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1cey s GLU 35 N -2.09 0.80 0.00 3.49 2.02 -1.26 -2.54 118.70 119.11 1cey s GLU 35 Ca 0.01 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.19 1cey s GLU 35 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1cey s GLU 35 CO 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 175.26 175.04 1cey n ALA 36 N 0.24 0.00 -0.75 5.21 0.00 -0.86 -4.95 120.51 119.40 1cey n ALA 36 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1cey n ALA 36 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.10 -3.34 0.00 1.02 -1.26 -4.61 120.64 112.54 1cey n GLU 37 Ca 0.00 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1cey n GLU 37 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.04 0.00 -0.24 1.62 5.68 -1.26 -4.77 116.55 117.53 1cey n ASP 38 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 54.79 54.22 1cey n ASP 38 Cb 0.27 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.29 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 1.09 1.04 6.12 0.00 -1.92 0.16 103.07 109.56 1cey h GLY 39 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 1cey h GLY 39 CO 0.00 0.59 0.59 -2.08 0.00 0.00 0.00 176.54 175.64 1cey h VAL 40 N 0.95 1.26 -0.08 4.60 2.07 -1.94 0.20 116.25 123.30 1cey h VAL 40 Ca 0.22 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 1cey h VAL 40 Cb 0.27 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1cey h VAL 40 CO -0.01 0.26 -0.21 -0.78 0.02 0.00 0.00 177.57 176.85 1cey h ASP 41 N 1.30 0.33 0.64 0.57 1.82 -1.80 -2.78 116.42 116.51 1cey h ASP 41 Ca 0.34 -0.59 -0.03 0.00 -0.39 0.00 0.00 57.03 56.37 1cey h ASP 41 Cb -0.08 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 39.83 1cey h ASP 41 CO -0.07 0.86 -0.36 0.00 -1.61 0.00 0.00 179.24 178.06 1cey h ALA 42 N 0.48 -0.94 -0.75 -0.78 0.00 -0.36 0.35 119.26 117.26 1cey h ALA 42 Ca -0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.88 1cey h ALA 42 Cb 0.82 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1cey h ALA 42 CO 0.05 -1.04 -0.01 -0.07 0.00 0.00 0.00 179.25 178.18 1cey h LEU 43 N -0.93 -0.36 -0.62 0.00 3.38 -0.70 1.30 115.31 117.38 1cey h LEU 43 Ca -0.08 0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1cey h LEU 43 Cb 0.74 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1cey h LEU 43 CO 0.11 -0.18 -0.36 0.78 0.09 0.00 0.00 178.44 178.88 1cey h ASN 44 N 0.10 0.72 -0.36 -0.43 2.35 -1.18 -2.69 115.58 114.09 1cey h ASN 44 Ca 0.40 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1cey h ASN 44 Cb 0.71 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1cey h ASN 44 CO -0.66 1.01 0.00 1.17 -1.65 0.00 0.00 177.43 177.29 1cey n LYS 45 N -4.05 1.85 0.06 0.81 3.00 0.12 -3.93 118.16 116.02 1cey n LYS 45 Ca -0.01 -1.32 -0.18 0.00 -0.00 0.00 0.00 58.31 56.79 1cey n LYS 45 Cb 0.50 -1.29 -0.14 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 2.16 0.44 0.00 3.14 7.12 0.18 -3.26 115.31 125.10 1cey h LEU 46 Ca 0.00 -0.65 0.00 0.00 0.13 0.00 0.00 57.88 57.36 1cey h LEU 46 Cb 0.49 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1cey h LEU 46 CO 0.00 1.55 0.00 0.00 -0.13 0.00 0.00 178.44 179.86 1cey n GLN 47 N -3.47 0.79 -0.14 1.25 6.02 -1.25 -2.96 117.38 117.61 1cey n GLN 47 Ca -0.20 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.68 1cey n GLN 47 Cb 1.05 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.74 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey h ALA 48 N 3.69 -0.63 0.00 -1.58 0.00 -1.75 -3.36 119.26 115.62 1cey h ALA 48 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1cey h ALA 48 Cb 0.06 1.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1cey h ALA 48 CO 0.00 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 178.68 1cey n GLY 49 N -1.39 -1.58 1.79 0.00 0.00 -1.26 -5.09 105.19 97.66 1cey n GLY 49 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.37 3.77 -0.02 0.00 -1.16 -4.98 105.19 99.44 1cey n GLY 50 Ca 0.00 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.29 3.80 -2.31 1.61 1.51 -1.26 -4.92 117.35 115.49 1cey s TYR 51 Ca -0.04 1.81 0.21 0.00 -1.01 0.00 0.00 57.07 58.04 1cey s TYR 51 Cb 0.00 -2.92 0.52 0.00 -0.11 0.00 0.00 41.96 39.46 1cey s TYR 51 CO 0.20 0.32 1.44 0.41 -1.11 0.00 0.00 175.55 176.81 1cey n GLY 52 N 0.94 1.43 3.61 0.71 0.00 -0.95 -4.90 105.19 106.03 1cey n GLY 52 Ca -0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.49 -0.60 -0.06 1.61 5.36 0.01 -4.06 117.98 118.76 1cey s PHE 53 Ca 0.38 1.36 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1cey s PHE 53 Cb 0.21 0.35 0.04 0.00 -0.34 0.00 0.00 43.02 43.28 1cey s PHE 53 CO 0.29 -0.35 0.11 0.08 -1.46 0.00 0.00 175.22 173.89 1cey s VAL 54 N -0.09 -0.17 -0.14 3.12 1.01 -1.02 -1.86 120.40 121.24 1cey s VAL 54 Ca -0.01 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1cey s VAL 54 Cb -0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1cey s VAL 54 CO -0.00 0.15 -0.02 -0.63 0.00 0.00 0.00 175.10 174.60 1cey s ILE 55 N 2.10 4.10 -0.08 2.22 1.01 -0.43 -2.09 121.20 128.03 1cey s ILE 55 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 1cey s ILE 55 Cb -0.12 -2.79 0.04 0.00 0.01 0.00 0.00 42.46 39.60 1cey s ILE 55 CO -0.04 0.51 0.39 -0.94 0.00 0.00 0.00 174.94 174.86 1cey s SER 56 N 0.10 -0.34 0.00 3.58 1.04 -1.26 -1.86 113.70 114.96 1cey s SER 56 Ca 0.01 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1cey s SER 56 Cb -0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1cey s SER 56 CO 0.02 -0.33 0.46 -0.90 0.98 0.00 0.00 173.24 173.47 1cey n ASP 57 N 1.93 0.00 0.01 7.02 5.75 -1.26 -1.38 116.55 128.62 1cey n ASP 57 Ca -0.18 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.06 1cey n ASP 57 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 1cey n TRP 58 N -0.74 -0.75 -2.68 2.11 -0.00 -1.26 -2.10 117.44 112.02 1cey n TRP 58 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 57.50 57.49 1cey n TRP 58 Cb 0.00 0.22 0.06 0.00 -0.00 0.00 0.00 31.31 31.59 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 -1.88 -1.50 -0.06 5.87 6.94 -1.26 -3.97 115.26 119.40 1cey n ASN 59 Ca 0.00 -2.15 -0.10 0.00 -0.02 0.00 0.00 54.58 52.31 1cey n ASN 59 Cb 0.00 1.16 -0.03 0.00 -2.36 0.00 0.00 39.78 38.55 1cey n ASN 59 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 1cey h MET 60 N 1.81 0.31 0.00 -3.83 2.86 -1.96 -3.32 114.93 110.80 1cey h MET 60 Ca -0.39 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1cey h MET 60 Cb 1.23 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1cey h MET 60 CO -0.09 0.24 0.00 -0.35 1.06 0.00 0.00 176.91 177.77 1cey n PRO 61 N -4.90 0.00 0.00 -0.22 -0.05 -1.26 -5.05 135.00 123.51 1cey n PRO 61 Ca -0.03 0.34 0.00 0.00 -0.05 0.00 0.00 63.50 63.77 1cey n PRO 61 Cb 0.05 -1.20 0.00 0.00 -0.05 0.00 0.00 33.50 32.29 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 -1.53 0.00 -3.96 3.54 2.04 -1.25 -5.01 115.26 109.09 1cey n ASN 62 Ca 0.00 0.00 -0.39 0.00 -0.44 0.00 0.00 54.58 53.75 1cey n ASN 62 Cb 0.00 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.20 1cey n ASN 62 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 1cey n MET 63 N 0.00 1.65 -3.81 -3.83 2.81 -1.26 -4.81 117.12 107.87 1cey n MET 63 Ca 0.00 -2.12 -0.10 0.00 -1.81 0.00 0.00 57.70 53.67 1cey n MET 63 Cb 0.00 -3.20 -0.06 0.00 -0.71 0.00 0.00 33.22 29.25 1cey n MET 63 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1cey s ASP 64 N 5.36 -0.07 0.00 7.83 -1.08 -1.26 -4.75 116.67 122.69 1cey s ASP 64 Ca 0.60 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 1cey s ASP 64 Cb 0.09 0.45 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 1cey s ASP 64 CO 0.12 -0.87 0.00 0.61 0.52 0.00 0.00 175.17 175.54 1cey n GLY 65 N -0.21 1.33 0.00 2.66 0.00 -1.25 -4.40 105.19 103.31 1cey n GLY 65 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1cey n GLY 65 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1cey n LEU 66 N 0.00 0.39 -0.37 0.99 7.94 -1.26 0.12 117.00 124.82 1cey n LEU 66 Ca 0.00 0.63 0.33 0.00 -1.11 0.00 0.00 56.01 55.86 1cey n LEU 66 Cb 0.00 -0.35 0.67 0.00 0.53 0.00 0.00 43.42 44.27 1cey n LEU 66 CO 0.00 -0.35 1.29 -0.08 -1.11 0.00 0.00 177.39 177.14 1cey h GLU 67 N 0.00 0.13 -0.52 1.96 4.57 -1.90 2.42 114.58 121.24 1cey h GLU 67 Ca 0.00 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1cey h GLU 67 Cb 0.00 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1cey h GLU 67 CO 0.00 0.09 -0.05 1.25 -1.18 0.00 0.00 179.01 179.12 1cey h LEU 68 N 0.14 0.94 0.13 1.64 5.85 -1.81 -2.03 115.31 120.16 1cey h LEU 68 Ca 0.64 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 1cey h LEU 68 Cb 2.19 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1cey h LEU 68 CO -0.16 1.05 -0.06 0.25 -0.34 0.00 0.00 178.44 179.17 1cey h LEU 69 N 0.81 -0.15 -1.45 2.25 5.85 1.16 -2.96 115.31 120.82 1cey h LEU 69 Ca 0.14 0.01 0.42 0.00 0.84 0.00 0.00 57.88 59.29 1cey h LEU 69 Cb 0.60 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 1cey h LEU 69 CO 0.04 0.21 0.86 0.50 -0.34 0.00 0.00 178.44 179.71 1cey h LYS 70 N -0.81 0.11 -0.14 1.25 3.64 0.67 1.64 116.57 122.94 1cey h LYS 70 Ca -0.02 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1cey h LYS 70 Cb 0.13 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1cey h LYS 70 CO 0.03 0.07 -0.58 1.15 -2.27 0.00 0.00 179.45 177.85 1cey h THR 71 N 0.11 1.34 0.00 1.00 2.02 -1.43 -0.59 112.91 115.37 1cey h THR 71 Ca 0.79 -1.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.07 1cey h THR 71 Cb 2.51 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 70.79 1cey h THR 71 CO -0.37 0.57 -0.14 0.40 0.37 0.00 0.00 175.52 176.35 1cey h ILE 72 N 0.33 0.72 0.12 3.11 2.04 0.26 -2.93 117.51 121.15 1cey h ILE 72 Ca -0.00 -0.56 -0.36 0.00 1.00 0.00 0.00 64.86 64.94 1cey h ILE 72 Cb 1.11 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1cey h ILE 72 CO 0.10 0.14 -1.95 -1.14 0.00 0.00 0.00 178.15 175.30 1cey n ARG 73 N -3.81 0.75 -0.32 2.37 0.63 -0.89 -3.98 116.66 111.41 1cey n ARG 73 Ca -0.02 0.28 0.35 0.00 -0.92 0.00 0.00 57.85 57.55 1cey n ARG 73 Cb 0.24 -1.72 0.72 0.00 0.45 0.00 0.00 32.46 32.15 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cey h ALA 74 N 0.04 3.09 -2.24 5.13 0.00 -0.92 -3.41 119.26 120.96 1cey h ALA 74 Ca -0.42 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 1cey h ALA 74 Cb 2.00 0.09 0.20 0.00 0.00 0.00 0.00 17.79 20.08 1cey h ALA 74 CO 0.08 -1.58 0.17 0.34 0.00 0.00 0.00 179.25 178.26 1cey s ASP 75 N -4.66 2.39 -0.22 0.00 -1.08 -1.21 -4.93 116.67 106.97 1cey s ASP 75 Ca -0.05 2.05 0.14 0.00 -0.52 0.00 0.00 52.55 54.18 1cey s ASP 75 Cb 0.21 -2.52 0.56 0.00 -1.46 0.00 0.00 42.92 39.72 1cey s ASP 75 CO 0.73 -3.41 1.49 0.61 0.52 0.00 0.00 175.17 175.11 1cey n GLY 76 N 0.41 4.14 0.00 2.66 0.00 -1.26 -4.43 105.19 106.70 1cey n GLY 76 Ca 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.56 0.08 -0.91 4.61 0.00 -1.26 -4.86 120.51 117.61 1cey n ALA 77 Ca 0.26 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.73 1cey n ALA 77 Cb 0.99 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.51 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 0.00 1.44 0.00 0.00 2.81 -1.26 -4.72 117.12 115.39 1cey n MET 78 Ca 0.00 -1.83 0.00 0.00 -1.81 0.00 0.00 57.70 54.06 1cey n MET 78 Cb 0.27 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1cey n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cey n SER 79 N -0.81 0.41 -1.83 7.83 2.88 -1.26 -2.75 113.62 118.08 1cey n SER 79 Ca 0.07 -1.29 -0.05 0.00 -1.33 0.00 0.00 58.87 56.27 1cey n SER 79 Cb 0.53 -0.21 0.07 0.00 -0.75 0.00 0.00 64.21 63.85 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cey n ALA 80 N -0.06 3.55 -3.69 -1.46 0.00 -1.26 -4.99 120.51 112.58 1cey n ALA 80 Ca 0.00 -3.12 -0.38 0.00 0.00 0.00 0.00 53.44 49.94 1cey n ALA 80 Cb 0.10 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 1cey n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1cey s LEU 81 N -2.89 5.42 0.59 0.00 2.96 -1.11 -5.02 118.68 118.62 1cey s LEU 81 Ca 0.38 -2.01 -0.20 0.00 -0.22 0.00 0.00 54.13 52.08 1cey s LEU 81 Cb 0.37 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 1cey s LEU 81 CO -0.05 -0.60 1.33 -2.84 -1.32 0.00 0.00 176.35 172.88 1cey s PRO 82 N 1.20 2.92 -0.06 0.98 0.02 -1.26 -4.88 135.00 133.91 1cey s PRO 82 Ca 0.08 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.27 1cey s PRO 82 Cb -0.24 -2.09 0.02 0.00 0.02 0.00 0.00 34.50 32.20 1cey s PRO 82 CO -0.03 -1.34 -0.10 0.08 -0.33 0.00 0.00 177.00 175.28 1cey s VAL 83 N -1.35 0.97 -0.83 3.83 1.01 -1.23 -2.45 120.40 120.36 1cey s VAL 83 Ca 0.76 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1cey s VAL 83 Cb -0.39 -0.91 0.27 0.00 0.00 0.00 0.00 36.38 35.35 1cey s VAL 83 CO 0.44 0.32 1.03 -0.11 0.00 0.00 0.00 175.10 176.79 1cey n LEU 84 N 3.92 4.82 -4.53 3.92 7.94 -0.89 0.48 117.00 132.66 1cey n LEU 84 Ca -0.23 -5.34 -0.29 0.00 -1.11 0.00 0.00 56.01 49.05 1cey n LEU 84 Cb 0.51 -0.93 0.23 0.00 0.53 0.00 0.00 43.42 43.76 1cey n LEU 84 CO 0.24 1.88 0.55 -0.04 -1.11 0.00 0.00 177.39 178.92 1cey s MET 85 N -2.52 -0.50 -0.14 1.96 -1.94 0.83 -4.08 119.30 112.90 1cey s MET 85 Ca 0.35 1.01 -0.12 0.00 -1.71 0.00 0.00 55.69 55.23 1cey s MET 85 Cb 0.09 -1.59 0.04 0.00 2.01 0.00 0.00 34.83 35.38 1cey s MET 85 CO 0.02 -3.50 0.37 0.54 -0.01 0.00 0.00 175.02 172.44 1cey s VAL 86 N -2.50 -0.01 0.26 -6.03 0.11 -0.48 -1.96 120.40 109.79 1cey s VAL 86 Ca 0.68 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 1cey s VAL 86 Cb -0.24 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.08 1cey s VAL 86 CO 0.63 0.01 0.45 0.28 -3.33 0.00 0.00 175.10 173.14 1cey s THR 87 N 0.48 0.00 -0.18 5.04 -1.32 -1.01 -4.14 115.64 114.50 1cey s THR 87 Ca -0.02 -1.48 -0.08 0.00 -1.21 0.00 0.00 61.69 58.89 1cey s THR 87 Cb -0.04 -2.30 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1cey s THR 87 CO -0.02 0.00 0.09 0.00 -2.21 0.00 0.00 174.62 172.48 1cey s ALA 88 N -3.90 3.55 -0.60 11.08 0.00 -1.26 -0.93 121.76 129.71 1cey s ALA 88 Ca 0.25 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 1cey s ALA 88 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 21.13 1cey s ALA 88 CO 0.11 0.22 0.64 0.39 0.00 0.00 0.00 175.76 177.11 1cey n GLU 89 N 3.37 -1.83 -1.49 0.00 -0.58 -1.26 -4.74 120.64 114.11 1cey n GLU 89 Ca -0.17 1.50 -0.48 0.00 -0.42 0.00 0.00 57.16 57.59 1cey n GLU 89 Cb 0.52 -4.06 -0.03 0.00 -0.57 0.00 0.00 31.44 27.30 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1cey n ALA 90 N -1.15 -1.91 0.82 0.62 0.00 -1.26 -4.78 120.51 112.85 1cey n ALA 90 Ca -0.06 0.45 0.09 0.00 0.00 0.00 0.00 53.44 53.91 1cey n ALA 90 Cb 0.58 -1.80 0.44 0.00 0.00 0.00 0.00 19.45 18.66 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 1.10 0.23 0.00 0.00 4.81 -1.26 -4.89 118.16 118.15 1cey n LYS 91 Ca 0.15 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1cey n LYS 91 Cb 0.25 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.80 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cey n LYS 92 N -1.30 0.00 0.05 1.64 4.81 -1.26 -4.26 118.16 117.84 1cey n LYS 92 Ca 0.08 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.54 1cey n LYS 92 Cb 0.14 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.32 1cey n LYS 92 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1cey n GLU 93 N 0.00 0.03 -0.10 1.64 -0.58 -1.26 -1.49 120.64 118.88 1cey n GLU 93 Ca 0.00 0.41 -0.19 0.00 -0.42 0.00 0.00 57.16 56.96 1cey n GLU 93 Cb 0.00 -1.79 -0.10 0.00 -0.57 0.00 0.00 31.44 28.98 1cey n GLU 93 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 1cey h ASN 94 N 0.00 0.00 -0.80 1.62 -1.24 -1.96 -3.31 115.58 109.89 1cey h ASN 94 Ca 0.00 -0.43 0.19 0.00 0.71 0.00 0.00 56.30 56.77 1cey h ASN 94 Cb 0.38 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 39.30 1cey h ASN 94 CO 0.00 1.38 0.07 0.40 -1.29 0.00 0.00 177.43 177.99 1cey h ILE 95 N -1.00 0.33 0.39 2.57 1.08 -1.62 0.32 117.51 119.59 1cey h ILE 95 Ca -0.30 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 1cey h ILE 95 Cb 1.18 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 1cey h ILE 95 CO -0.18 0.02 -0.22 0.40 -0.69 0.00 0.00 178.15 177.49 1cey h ILE 96 N 0.13 0.00 -0.24 -0.67 2.04 -1.72 0.21 117.51 117.26 1cey h ILE 96 Ca 0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.35 1cey h ILE 96 Cb 0.84 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1cey h ILE 96 CO -0.67 0.00 -0.55 0.00 0.00 0.00 0.00 178.15 176.93 1cey h ALA 97 N -1.64 -0.85 -0.91 1.87 0.00 -1.48 0.20 119.26 116.45 1cey h ALA 97 Ca -0.05 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.08 1cey h ALA 97 Cb 0.44 1.06 -0.15 0.00 0.00 0.00 0.00 17.79 19.14 1cey h ALA 97 CO 0.07 -1.08 0.26 0.00 0.00 0.00 0.00 179.25 178.50 1cey h ALA 98 N -0.21 1.38 -0.18 0.00 0.00 -0.34 0.16 119.26 120.07 1cey h ALA 98 Ca 0.05 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cey h ALA 98 Cb 0.64 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1cey h ALA 98 CO -0.50 -0.51 0.11 0.00 0.00 0.00 0.00 179.25 178.35 1cey h ALA 99 N 1.82 0.23 0.00 0.00 0.00 0.25 -0.50 119.26 121.06 1cey h ALA 99 Ca 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1cey h ALA 99 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1cey h ALA 99 CO -0.68 -0.27 0.17 1.04 0.00 0.00 0.00 179.25 179.51 1cey n GLN 100 N -4.94 0.04 0.00 0.00 6.02 0.53 -4.16 117.38 114.87 1cey n GLN 100 Ca -0.04 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1cey n GLN 100 Cb 0.05 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.51 1cey n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey n ALA 101 N -1.46 0.00 -0.51 -1.58 0.00 -0.22 -5.03 120.51 111.72 1cey n ALA 101 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 101 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.31 0.07 0.00 0.00 -1.18 -4.78 105.19 104.62 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 -0.08 1.46 -0.33 4.61 0.00 -1.05 -3.55 120.51 121.58 1cey n ALA 103 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1cey n ALA 103 Cb 0.13 -1.00 0.38 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.36 0.01 -4.52 0.00 7.64 -1.26 -3.94 113.62 111.19 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 -0.12 0.00 -1.01 0.00 0.00 64.21 62.84 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 -3.42 1.77 -0.16 0.23 0.00 0.18 -4.98 107.32 100.94 1cey s GLY 105 Ca -0.02 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.80 1cey s GLY 105 CO 0.42 0.07 0.29 -0.47 0.00 0.00 0.00 173.10 173.40 1cey s TYR 106 N 0.57 -0.48 0.00 1.90 5.04 -1.25 -0.12 117.35 123.01 1cey s TYR 106 Ca -0.00 0.93 0.04 0.00 -2.44 0.00 0.00 57.07 55.60 1cey s TYR 106 Cb -0.14 -0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.11 1cey s TYR 106 CO 0.02 -0.43 -0.12 0.54 -1.34 0.00 0.00 175.55 174.22 1cey s VAL 107 N 2.44 3.27 -0.50 3.14 0.11 -0.83 -4.98 120.40 123.06 1cey s VAL 107 Ca 0.03 -0.87 -0.22 0.00 -2.93 0.00 0.00 61.98 57.98 1cey s VAL 107 Cb -0.13 -2.38 0.04 0.00 -1.53 0.00 0.00 36.38 32.38 1cey s VAL 107 CO -0.10 0.43 0.78 -0.69 -3.33 0.00 0.00 175.10 172.19 1cey s VAL 108 N -0.91 4.63 0.82 2.04 1.01 -1.26 -2.41 120.40 124.33 1cey s VAL 108 Ca 0.15 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 1cey s VAL 108 Cb -0.11 -4.38 0.09 0.00 0.00 0.00 0.00 36.38 31.98 1cey s VAL 108 CO 0.05 -0.87 1.12 -1.59 0.00 0.00 0.00 175.10 173.81 1cey s LYS 109 N 3.30 1.78 0.78 2.72 -2.85 -0.11 -4.53 119.74 120.83 1cey s LYS 109 Ca 0.25 1.36 -0.11 0.00 -1.00 0.00 0.00 55.97 56.47 1cey s LYS 109 Cb -0.14 -1.83 0.06 0.00 -2.06 0.00 0.00 37.83 33.86 1cey s LYS 109 CO 0.18 -2.03 1.09 -1.25 0.10 0.00 0.00 175.35 173.44 1cey s PRO 110 N -4.72 2.25 0.03 1.78 0.05 -1.26 -4.59 135.00 128.54 1cey s PRO 110 Ca 0.64 0.64 -0.07 0.00 0.05 0.00 0.00 61.00 62.26 1cey s PRO 110 Cb -0.20 -1.94 -0.00 0.00 0.05 0.00 0.00 34.50 32.41 1cey s PRO 110 CO 0.56 -1.50 0.13 -0.59 0.05 0.00 0.00 177.00 175.64 1cey s PHE 111 N -3.18 0.12 0.07 0.56 -0.12 -1.26 -5.05 117.98 109.12 1cey s PHE 111 Ca 0.60 -0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 57.14 1cey s PHE 111 Cb -0.14 -0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.12 1cey s PHE 111 CO 0.54 -0.35 0.24 0.99 -0.05 0.00 0.00 175.22 176.59 1cey s THR 112 N -2.14 5.35 0.37 -4.49 2.01 -1.26 -4.81 115.64 110.67 1cey s THR 112 Ca -0.09 -0.29 0.16 0.00 0.31 0.00 0.00 61.69 61.78 1cey s THR 112 Cb -0.04 -3.62 0.37 0.00 0.01 0.00 0.00 72.50 69.22 1cey s THR 112 CO -0.02 0.13 1.73 0.00 -0.69 0.00 0.00 174.62 175.77 1cey h ALA 113 N 3.07 2.11 -0.21 7.40 0.00 -1.98 2.26 119.26 131.91 1cey h ALA 113 Ca -0.45 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1cey h ALA 113 Cb 1.16 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1cey h ALA 113 CO 0.75 -0.59 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 1cey h ALA 114 N 1.68 1.23 0.06 0.00 0.00 -1.97 0.25 119.26 120.51 1cey h ALA 114 Ca 0.65 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1cey h ALA 114 Cb 1.56 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1cey h ALA 114 CO -0.41 0.50 -0.03 1.15 0.00 0.00 0.00 179.25 180.47 1cey h THR 115 N 0.34 0.00 -1.14 0.00 2.02 0.32 -2.22 112.91 112.22 1cey h THR 115 Ca 0.06 -0.10 0.37 0.00 0.77 0.00 0.00 66.41 67.50 1cey h THR 115 Cb 0.59 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.87 1cey h THR 115 CO 0.04 0.00 0.70 0.25 0.37 0.00 0.00 175.52 176.88 1cey h LEU 116 N -0.19 0.37 0.30 2.58 5.85 -0.57 -0.48 115.31 123.18 1cey h LEU 116 Ca -0.01 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1cey h LEU 116 Cb 0.06 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1cey h LEU 116 CO 0.01 -0.15 -0.24 -0.08 -0.34 0.00 0.00 178.44 177.65 1cey h GLU 117 N 0.20 -0.50 -0.84 1.25 4.57 -0.48 0.02 114.58 118.79 1cey h GLU 117 Ca 0.76 0.03 0.14 0.00 -1.18 0.00 0.00 59.36 59.11 1cey h GLU 117 Cb 2.08 0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 30.64 1cey h GLU 117 CO -0.49 -0.34 -0.35 1.49 -1.18 0.00 0.00 179.01 178.14 1cey h GLU 118 N -0.52 -0.05 0.06 1.92 4.81 -0.45 0.25 114.58 120.59 1cey h GLU 118 Ca -0.04 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1cey h GLU 118 Cb 0.44 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1cey h GLU 118 CO 0.01 -0.04 -0.14 0.87 -0.73 0.00 0.00 179.01 178.98 1cey h LYS 119 N -0.06 -0.26 0.45 1.92 1.79 -1.32 0.83 116.57 119.93 1cey h LYS 119 Ca 0.32 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1cey h LYS 119 Cb 0.59 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 1cey h LYS 119 CO -0.87 -0.17 -0.45 1.25 -1.08 0.00 0.00 179.45 178.13 1cey h LEU 120 N -0.27 -1.23 -1.36 2.94 6.46 0.11 -1.34 115.31 120.63 1cey h LEU 120 Ca 0.03 0.10 0.25 0.00 -0.12 0.00 0.00 57.88 58.14 1cey h LEU 120 Cb 0.30 0.41 -0.09 0.00 -0.73 0.00 0.00 40.66 40.54 1cey h LEU 120 CO -0.10 -0.59 0.66 0.78 -0.62 0.00 0.00 178.44 178.57 1cey h ASN 121 N -0.90 0.47 0.19 1.25 4.21 -0.51 0.77 115.58 121.06 1cey h ASN 121 Ca -0.06 0.08 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 1cey h ASN 121 Cb 0.78 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1cey h ASN 121 CO -0.06 0.11 -0.15 0.11 -1.29 0.00 0.00 177.43 176.16 1cey h LYS 122 N 0.42 0.00 0.03 0.81 1.79 0.27 -2.97 116.57 116.92 1cey h LYS 122 Ca 0.58 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 59.00 1cey h LYS 122 Cb 1.42 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.08 1cey h LYS 122 CO -0.29 0.15 -0.20 0.82 -1.08 0.00 0.00 179.45 178.85 1cey h ILE 123 N 0.00 1.73 0.00 1.86 2.04 0.13 -3.23 117.51 120.04 1cey h ILE 123 Ca -0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1cey h ILE 123 Cb 0.28 3.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1cey h ILE 123 CO 0.02 0.64 0.08 0.49 0.00 0.00 0.00 178.15 179.38 1cey n PHE 124 N -4.49 0.00 0.18 1.37 3.01 -0.78 -0.16 117.46 116.58 1cey n PHE 124 Ca -0.11 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.39 1cey n PHE 124 Cb 0.56 -0.26 0.34 0.00 -0.01 0.00 0.00 39.48 40.11 1cey n PHE 124 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1cey h GLU 125 N 0.00 0.00 0.00 -1.08 5.08 -1.55 0.17 114.58 117.19 1cey h GLU 125 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1cey h GLU 125 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1cey h GLU 125 CO 0.00 0.41 -1.37 1.57 -1.00 0.00 0.00 179.01 178.62 1cey h LYS 126 N 0.00 0.00 0.00 2.33 2.10 -0.77 -3.31 116.57 116.92 1cey h LYS 126 Ca -0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.52 1cey h LYS 126 Cb 0.83 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.14 1cey h LYS 126 CO 0.05 0.32 -0.58 1.25 -2.00 0.00 0.00 179.45 178.49 1cey h LEU 127 N 0.00 0.00 -2.65 7.07 6.46 -1.44 -3.49 115.31 121.27 1cey h LEU 127 Ca -0.16 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.50 1cey h LEU 127 Cb 1.60 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.54 1cey h LEU 127 CO 0.05 0.58 -0.77 0.61 -0.62 0.00 0.00 178.44 178.30 1cey n GLY 128 N 1.15 -1.22 0.48 3.75 0.00 0.55 -5.09 105.19 104.81 1cey n GLY 128 Ca 0.01 1.08 0.14 0.00 0.00 0.00 0.00 46.02 47.26 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47