#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 1.05 -1.17 0.00 9.92 -1.26 -4.80 116.55 120.29 1cey n ASP 3 Ca 0.00 1.14 0.04 0.00 -0.53 0.00 0.00 54.79 55.44 1cey n ASP 3 Cb 0.00 -1.14 0.21 0.00 -0.64 0.00 0.00 41.12 39.55 1cey n ASP 3 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1cey n LYS 4 N 1.94 2.91 -2.44 -1.24 2.85 -1.26 -3.99 118.16 116.92 1cey n LYS 4 Ca 0.17 -1.63 -0.14 0.00 -1.05 0.00 0.00 58.31 55.66 1cey n LYS 4 Cb 0.20 -1.83 0.03 0.00 -0.65 0.00 0.00 35.03 32.78 1cey n LYS 4 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1cey n GLU 5 N 0.37 2.64 -3.23 -1.58 1.02 -1.25 -3.46 120.64 115.16 1cey n GLU 5 Ca 0.14 -3.88 -0.38 0.00 -0.02 0.00 0.00 57.16 53.02 1cey n GLU 5 Cb 0.69 -1.92 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -3.61 4.29 -0.08 -4.62 2.96 -1.26 -4.99 118.68 111.38 1cey s LEU 6 Ca 0.39 0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 54.95 1cey s LEU 6 Cb 0.38 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1cey s LEU 6 CO -0.02 -0.03 1.14 -0.54 -1.32 0.00 0.00 176.35 175.58 1cey s LYS 7 N 0.64 4.36 0.13 1.98 1.02 -1.26 -4.70 119.74 121.91 1cey s LYS 7 Ca 0.30 1.58 0.06 0.00 0.02 0.00 0.00 55.97 57.92 1cey s LYS 7 Cb -0.16 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1cey s LYS 7 CO 0.13 -0.43 0.01 -0.06 -0.92 0.00 0.00 175.35 174.08 1cey s PHE 8 N 2.27 2.95 -0.25 3.18 0.40 -1.01 -1.25 117.98 124.26 1cey s PHE 8 Ca 0.53 -0.07 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1cey s PHE 8 Cb -0.22 -1.48 0.08 0.00 0.51 0.00 0.00 43.02 41.91 1cey s PHE 8 CO 0.20 0.49 0.04 -1.17 0.70 0.00 0.00 175.22 175.48 1cey s LEU 9 N -2.61 2.02 -0.53 -0.37 2.96 -0.65 -2.16 118.68 117.34 1cey s LEU 9 Ca 0.27 -1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 52.70 1cey s LEU 9 Cb -0.11 -0.86 0.06 0.00 0.50 0.00 0.00 46.19 45.78 1cey s LEU 9 CO 0.19 -0.34 0.71 0.68 -1.32 0.00 0.00 176.35 176.27 1cey s VAL 10 N 1.63 4.75 -0.94 1.68 -7.23 -1.03 -0.93 120.40 118.34 1cey s VAL 10 Ca 0.03 -0.40 -0.16 0.00 -1.81 0.00 0.00 61.98 59.64 1cey s VAL 10 Cb -0.18 -4.39 0.18 0.00 0.56 0.00 0.00 36.38 32.56 1cey s VAL 10 CO -0.15 -0.93 1.02 -0.69 -0.31 0.00 0.00 175.10 174.04 1cey s VAL 11 N 2.95 5.21 0.07 1.32 1.01 -0.74 -2.45 120.40 127.77 1cey s VAL 11 Ca 0.18 -2.19 -0.12 0.00 0.00 0.00 0.00 61.98 59.84 1cey s VAL 11 Cb -0.18 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.55 1cey s VAL 11 CO 0.12 -1.31 0.27 -1.81 0.00 0.00 0.00 175.10 172.38 1cey s ASP 12 N 2.78 -0.05 -0.01 3.32 1.01 -1.20 -4.25 116.67 118.27 1cey s ASP 12 Ca 0.28 -0.36 0.12 0.00 0.71 0.00 0.00 52.55 53.30 1cey s ASP 12 Cb -0.07 0.36 -0.15 0.00 1.01 0.00 0.00 42.92 44.07 1cey s ASP 12 CO -0.08 -0.68 0.43 0.47 0.21 0.00 0.00 175.17 175.52 1cey n ASP 13 N 0.28 1.15 -4.56 0.27 9.92 -1.26 -4.70 116.55 117.65 1cey n ASP 13 Ca -0.17 -0.50 -0.48 0.00 -0.53 0.00 0.00 54.79 53.11 1cey n ASP 13 Cb 0.61 1.21 -0.04 0.00 -0.64 0.00 0.00 41.12 42.26 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 -1.52 1.06 0.27 1.24 3.01 -1.26 -4.79 117.46 115.46 1cey n PHE 14 Ca 0.01 0.74 -0.08 0.00 1.01 0.00 0.00 57.45 59.13 1cey n PHE 14 Cb 0.24 -2.23 0.05 0.00 -0.01 0.00 0.00 39.48 37.54 1cey n PHE 14 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1cey n SER 15 N 1.81 3.36 0.00 4.37 2.88 -1.26 -3.76 113.62 121.02 1cey n SER 15 Ca 0.14 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 1cey n SER 15 Cb 0.25 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 0.32 2.46 5.66 -1.26 -4.91 114.28 116.58 1cey n THR 16 Ca 0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 61.06 1cey n THR 16 Cb 0.85 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.57 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 -0.81 -1.11 1.09 -1.53 -1.94 -0.92 114.93 109.71 1cey h MET 17 Ca 0.00 0.06 0.30 0.00 -3.44 0.00 0.00 59.70 56.62 1cey h MET 17 Cb 0.00 0.18 -0.09 0.00 -0.55 0.00 0.00 31.60 31.14 1cey h MET 17 CO 0.00 -0.54 0.73 0.07 0.14 0.00 0.00 176.91 177.31 1cey h ARG 18 N -1.11 0.27 -0.24 0.39 0.11 -1.92 0.32 114.38 112.21 1cey h ARG 18 Ca -0.09 -0.02 -0.20 0.00 0.10 0.00 0.00 59.98 59.78 1cey h ARG 18 Cb 0.65 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1cey h ARG 18 CO 0.14 0.18 -0.64 -0.09 0.10 0.00 0.00 179.97 179.66 1cey h ARG 19 N 0.28 0.84 0.33 0.08 2.43 -1.83 -1.64 114.38 114.88 1cey h ARG 19 Ca 0.62 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1cey h ARG 19 Cb 1.80 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1cey h ARG 19 CO -0.26 1.22 -0.16 0.82 -1.51 0.00 0.00 179.97 180.08 1cey h ILE 20 N 0.62 0.69 -0.19 1.20 2.04 0.11 -2.82 117.51 119.16 1cey h ILE 20 Ca -0.01 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1cey h ILE 20 Cb 1.26 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1cey h ILE 20 CO 0.14 0.05 -0.07 -0.37 0.00 0.00 0.00 178.15 177.90 1cey h VAL 21 N -0.58 1.16 -0.10 1.67 -1.51 -1.41 -1.60 116.25 113.88 1cey h VAL 21 Ca -0.05 -0.67 0.04 0.00 -1.23 0.00 0.00 66.70 64.80 1cey h VAL 21 Cb 0.43 1.09 -0.06 0.00 -2.13 0.00 0.00 31.29 30.62 1cey h VAL 21 CO 0.08 0.22 -0.33 0.03 -1.23 0.00 0.00 177.57 176.33 1cey h ARG 22 N 0.28 -0.41 0.18 5.19 2.47 -1.04 0.43 114.38 121.48 1cey h ARG 22 Ca 0.06 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1cey h ARG 22 Cb 0.30 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1cey h ARG 22 CO 0.01 -0.27 -0.09 -0.97 0.56 0.00 0.00 179.97 179.22 1cey h ASN 23 N -0.42 -0.21 -0.97 7.04 -1.24 -1.41 -2.82 115.58 115.55 1cey h ASN 23 Ca 0.09 -0.31 0.17 0.00 0.71 0.00 0.00 56.30 56.95 1cey h ASN 23 Cb 0.56 0.05 -0.17 0.00 0.73 0.00 0.00 38.32 39.49 1cey h ASN 23 CO -0.33 0.26 -0.32 0.25 -1.29 0.00 0.00 177.43 175.99 1cey h LEU 24 N -0.74 -1.20 0.49 0.34 5.85 -1.10 0.55 115.31 119.50 1cey h LEU 24 Ca -0.02 0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1cey h LEU 24 Cb 0.51 0.68 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1cey h LEU 24 CO 0.04 -0.30 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.51 1cey h LEU 25 N -0.01 -0.62 -1.86 2.25 3.38 -0.94 -1.21 115.31 116.29 1cey h LEU 25 Ca 0.39 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.61 1cey h LEU 25 Cb 0.64 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1cey h LEU 25 CO -0.98 -0.42 0.58 0.50 0.09 0.00 0.00 178.44 178.20 1cey h LYS 26 N -0.69 0.11 -0.66 1.13 3.64 -0.34 0.41 116.57 120.17 1cey h LYS 26 Ca -0.06 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1cey h LYS 26 Cb 0.54 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1cey h LYS 26 CO 0.09 0.07 0.46 1.49 -2.27 0.00 0.00 179.45 179.29 1cey h GLU 27 N 0.12 0.20 0.00 1.90 4.22 0.12 -3.09 114.58 118.05 1cey h GLU 27 Ca 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.83 1cey h GLU 27 Cb 1.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1cey h GLU 27 CO -0.05 0.13 -0.42 -0.07 -2.18 0.00 0.00 179.01 176.42 1cey h LEU 28 N 0.21 0.00 0.00 1.64 4.07 -0.19 -3.49 115.31 117.55 1cey h LEU 28 Ca 0.32 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.28 1cey h LEU 28 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1cey h LEU 28 CO -0.06 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 1cey n GLY 29 N 1.64 -1.75 3.23 0.83 0.00 -0.96 -5.05 105.19 103.13 1cey n GLY 29 Ca -0.06 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.47 -0.04 1.61 0.08 -1.22 -3.84 117.98 114.10 1cey s PHE 30 Ca 0.00 1.07 0.16 0.00 0.12 0.00 0.00 56.93 58.28 1cey s PHE 30 Cb 0.00 0.18 0.29 0.00 -0.57 0.00 0.00 43.02 42.91 1cey s PHE 30 CO 0.00 -0.26 1.12 0.27 -0.10 0.00 0.00 175.22 176.25 1cey n ASN 31 N 3.63 0.89 -3.54 1.36 6.94 -1.26 -4.14 115.26 119.13 1cey n ASN 31 Ca -0.19 -2.32 -0.29 0.00 -0.02 0.00 0.00 54.58 51.76 1cey n ASN 31 Cb 0.56 -0.31 -0.13 0.00 -2.36 0.00 0.00 39.78 37.54 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1cey s ASN 32 N -1.92 3.32 0.03 0.53 3.84 -1.26 -5.12 114.94 114.36 1cey s ASN 32 Ca 0.24 -1.94 -0.00 0.00 0.21 0.00 0.00 52.86 51.36 1cey s ASN 32 Cb 0.26 -0.51 -0.03 0.00 -0.55 0.00 0.00 41.25 40.42 1cey s ASN 32 CO -0.09 -0.35 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.15 1cey s VAL 33 N 1.31 0.18 0.09 -5.21 1.01 -1.26 -2.40 120.40 114.12 1cey s VAL 33 Ca 0.15 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1cey s VAL 33 Cb -0.21 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 1cey s VAL 33 CO -0.12 -0.65 0.02 -0.62 0.00 0.00 0.00 175.10 173.73 1cey n GLU 34 N 1.11 1.12 -3.75 2.72 1.02 -0.92 -4.98 120.64 116.96 1cey n GLU 34 Ca -0.21 -0.69 -0.13 0.00 -0.02 0.00 0.00 57.16 56.11 1cey n GLU 34 Cb 0.57 0.32 -0.09 0.00 -0.02 0.00 0.00 31.44 32.22 1cey n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1cey s GLU 35 N -2.32 0.61 0.00 3.49 2.12 -1.26 -2.45 118.70 118.89 1cey s GLU 35 Ca 0.03 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1cey s GLU 35 Cb 0.00 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1cey s GLU 35 CO 0.02 -0.15 0.00 0.00 -0.54 0.00 0.00 175.26 174.59 1cey n ALA 36 N 1.73 0.00 -0.86 6.30 0.00 -1.03 -4.97 120.51 121.69 1cey n ALA 36 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N 0.00 -0.10 -3.61 0.00 0.28 -1.26 -3.22 120.64 112.73 1cey n GLU 37 Ca 0.00 -0.12 -0.01 0.00 -0.16 0.00 0.00 57.16 56.87 1cey n GLU 37 Cb 0.00 -0.57 -0.01 0.00 1.43 0.00 0.00 31.44 32.29 1cey n GLU 37 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1cey s ASP 38 N -0.01 -0.08 0.26 -1.84 2.15 -1.26 -4.72 116.67 111.18 1cey s ASP 38 Ca 0.00 -0.05 -0.02 0.00 0.43 0.00 0.00 52.55 52.91 1cey s ASP 38 Cb 0.00 0.12 0.42 0.00 -0.30 0.00 0.00 42.92 43.16 1cey s ASP 38 CO 0.00 -0.21 1.87 1.23 -0.17 0.00 0.00 175.17 177.89 1cey h GLY 39 N 2.00 1.51 0.96 2.66 0.00 -1.87 0.21 103.07 108.54 1cey h GLY 39 Ca -0.19 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1cey h GLY 39 CO 0.25 0.29 0.64 -2.08 0.00 0.00 0.00 176.54 175.64 1cey h VAL 40 N 1.10 1.22 -0.02 4.60 2.07 -1.94 0.22 116.25 123.51 1cey h VAL 40 Ca 0.44 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1cey h VAL 40 Cb 0.24 -0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1cey h VAL 40 CO -0.19 0.23 -0.00 -0.78 0.02 0.00 0.00 177.57 176.85 1cey h ASP 41 N 1.28 0.03 0.24 0.57 1.82 -1.30 -2.75 116.42 116.31 1cey h ASP 41 Ca 0.37 -0.34 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1cey h ASP 41 Cb -0.09 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.88 1cey h ASP 41 CO -0.10 0.37 -0.38 0.00 -1.61 0.00 0.00 179.24 177.52 1cey h ALA 42 N 0.66 -0.74 -0.97 -0.78 0.00 -0.14 0.12 119.26 117.42 1cey h ALA 42 Ca 0.00 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.09 1cey h ALA 42 Cb 0.35 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 18.56 1cey h ALA 42 CO 0.00 -0.97 0.08 1.25 0.00 0.00 0.00 179.25 179.61 1cey h LEU 43 N -0.69 -0.38 -0.47 0.00 5.85 -0.55 2.76 115.31 121.83 1cey h LEU 43 Ca 0.00 0.27 -0.16 0.00 0.84 0.00 0.00 57.88 58.82 1cey h LEU 43 Cb 0.67 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1cey h LEU 43 CO -0.15 -0.33 -0.52 0.78 -0.34 0.00 0.00 178.44 177.87 1cey h ASN 44 N 0.03 0.73 -0.17 1.25 2.35 -0.97 -2.83 115.58 115.97 1cey h ASN 44 Ca 0.60 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1cey h ASN 44 Cb 1.26 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1cey h ASN 44 CO -0.88 1.12 0.00 0.29 -1.65 0.00 0.00 177.43 176.31 1cey n LYS 45 N -3.98 1.76 -0.05 0.81 5.02 0.40 -4.04 118.16 118.07 1cey n LYS 45 Ca -0.03 -1.14 -0.03 0.00 -2.02 0.00 0.00 58.31 55.08 1cey n LYS 45 Cb 0.60 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 34.20 1cey n LYS 45 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1cey n LEU 46 N 0.37 1.27 0.00 -0.35 -0.00 0.83 -3.91 117.00 115.20 1cey n LEU 46 Ca 0.16 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 1cey n LEU 46 Cb 0.34 -0.76 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1cey n LEU 46 CO 0.13 -0.48 0.46 0.00 -0.00 0.00 0.00 177.39 177.49 1cey n GLN 47 N -3.92 0.00 0.00 1.96 6.02 -1.21 -2.18 117.38 118.05 1cey n GLN 47 Ca -0.05 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 1cey n GLN 47 Cb 0.18 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.86 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cey n ALA 48 N -1.33 -0.01 -0.09 -1.58 0.00 -1.25 -4.20 120.51 112.05 1cey n ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cey n ALA 48 Cb 0.08 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.88 -0.76 1.51 0.00 0.00 -1.22 -5.04 105.19 98.80 1cey n GLY 49 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.06 -0.60 3.60 -0.02 0.00 -0.93 -4.90 105.19 102.28 1cey n GLY 50 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.50 1.53 -1.80 1.61 1.51 -1.26 -4.77 117.35 112.67 1cey s TYR 51 Ca 0.00 0.62 0.00 0.00 -1.01 0.00 0.00 57.07 56.68 1cey s TYR 51 Cb -0.00 -4.03 0.00 0.00 -0.11 0.00 0.00 41.96 37.82 1cey s TYR 51 CO 0.00 -3.38 0.60 0.41 -1.11 0.00 0.00 175.55 172.07 1cey n GLY 52 N 5.58 -0.10 3.54 0.71 0.00 -1.17 -4.49 105.19 109.25 1cey n GLY 52 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.19 -0.69 -0.06 1.61 5.36 -0.38 -3.82 117.98 117.80 1cey s PHE 53 Ca 0.00 1.69 -0.02 0.00 -0.96 0.00 0.00 56.93 57.64 1cey s PHE 53 Cb 0.00 0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.96 1cey s PHE 53 CO 0.00 -0.33 0.10 0.08 -1.46 0.00 0.00 175.22 173.61 1cey s VAL 54 N 0.34 -0.14 -0.21 3.12 1.01 -0.98 -1.64 120.40 121.91 1cey s VAL 54 Ca -0.00 0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1cey s VAL 54 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1cey s VAL 54 CO 0.01 0.13 0.07 -0.63 0.00 0.00 0.00 175.10 174.67 1cey s ILE 55 N 1.79 4.55 0.26 2.22 1.01 -0.11 -2.08 121.20 128.85 1cey s ILE 55 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1cey s ILE 55 Cb -0.12 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.21 1cey s ILE 55 CO -0.04 0.40 0.07 -0.94 0.00 0.00 0.00 174.94 174.42 1cey s SER 56 N 0.96 1.56 0.00 3.58 1.04 -1.23 -1.79 113.70 117.82 1cey s SER 56 Ca 0.04 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1cey s SER 56 Cb -0.14 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1cey s SER 56 CO 0.03 -0.66 0.00 -0.67 0.98 0.00 0.00 173.24 172.92 1cey n ASP 57 N -0.49 0.00 0.11 7.02 2.03 -1.26 -0.45 116.55 123.51 1cey n ASP 57 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1cey n ASP 57 Cb 0.66 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 -3.24 -2.12 -0.67 -0.00 -1.25 -3.75 117.44 106.41 1cey n TRP 58 Ca 0.00 0.72 -0.42 0.00 -0.00 0.00 0.00 57.50 57.80 1cey n TRP 58 Cb 0.00 2.02 0.00 0.00 -0.00 0.00 0.00 31.31 33.34 1cey n TRP 58 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1cey n ASN 59 N -2.93 4.54 -4.88 5.87 4.05 -1.26 -2.98 115.26 117.67 1cey n ASN 59 Ca 0.00 -2.97 -0.32 0.00 0.45 0.00 0.00 54.58 51.74 1cey n ASN 59 Cb 0.00 -1.59 -0.05 0.00 1.23 0.00 0.00 39.78 39.37 1cey n ASN 59 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1cey s MET 60 N 2.00 3.75 1.19 1.20 -1.94 -1.26 -5.04 119.30 119.21 1cey s MET 60 Ca 0.44 0.16 -0.19 0.00 -1.71 0.00 0.00 55.69 54.40 1cey s MET 60 Cb 0.10 -2.73 0.29 0.00 2.01 0.00 0.00 34.83 34.50 1cey s MET 60 CO -0.03 0.38 0.65 -2.30 -0.01 0.00 0.00 175.02 173.71 1cey n PRO 61 N 0.01 -3.48 0.00 2.03 -0.01 -1.26 -4.23 135.00 128.05 1cey n PRO 61 Ca -0.01 -1.10 0.00 0.00 -0.01 0.00 0.00 63.50 62.38 1cey n PRO 61 Cb 0.52 -1.60 0.00 0.00 -0.01 0.00 0.00 33.50 32.42 1cey n PRO 61 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1cey n ASN 62 N -4.11 0.00 -4.82 2.55 3.02 -1.26 -4.44 115.26 106.20 1cey n ASN 62 Ca 0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.44 1cey n ASN 62 Cb 0.45 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.58 1cey n ASN 62 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1cey s MET 63 N 0.00 2.81 1.15 3.52 -1.94 -1.26 -5.12 119.30 118.46 1cey s MET 63 Ca 0.00 -1.16 -0.19 0.00 -1.71 0.00 0.00 55.69 52.63 1cey s MET 63 Cb 0.00 -2.50 0.27 0.00 2.01 0.00 0.00 34.83 34.61 1cey s MET 63 CO 0.00 0.31 1.20 0.16 -0.01 0.00 0.00 175.02 176.67 1cey s ASP 64 N -3.87 1.43 0.00 3.03 1.47 -1.26 -4.38 116.67 113.09 1cey s ASP 64 Ca 0.35 0.41 0.12 0.00 1.18 0.00 0.00 52.55 54.61 1cey s ASP 64 Cb -0.07 -0.50 0.60 0.00 -0.34 0.00 0.00 42.92 42.61 1cey s ASP 64 CO 0.25 -3.79 1.40 0.61 0.68 0.00 0.00 175.17 174.32 1cey n GLY 65 N -1.97 -0.61 0.20 2.12 0.00 -1.16 -3.53 105.19 100.25 1cey n GLY 65 Ca 0.15 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 0.58 0.91 -0.77 0.99 5.85 -1.90 -2.75 115.31 118.22 1cey h LEU 66 Ca 0.00 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1cey h LEU 66 Cb 0.13 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1cey h LEU 66 CO 0.00 1.48 0.00 -0.08 -0.34 0.00 0.00 178.44 179.50 1cey h GLU 67 N 0.42 0.00 0.26 1.25 4.57 -1.94 -1.77 114.58 117.36 1cey h GLU 67 Ca -0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1cey h GLU 67 Cb 1.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.17 1cey h GLU 67 CO 0.19 0.00 -0.13 -0.07 -1.18 0.00 0.00 179.01 177.82 1cey h LEU 68 N 0.00 -0.30 -0.90 1.64 3.38 -1.66 -0.56 115.31 116.92 1cey h LEU 68 Ca 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1cey h LEU 68 Cb 0.45 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1cey h LEU 68 CO 0.00 0.19 0.18 0.25 0.09 0.00 0.00 178.44 179.14 1cey h LEU 69 N -1.05 0.93 0.10 1.67 5.85 -1.48 0.92 115.31 122.25 1cey h LEU 69 Ca -0.04 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 1cey h LEU 69 Cb 0.37 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1cey h LEU 69 CO 0.06 0.88 -0.05 0.50 -0.34 0.00 0.00 178.44 179.49 1cey h LYS 70 N 0.95 -0.13 -0.44 1.25 1.63 -1.41 0.64 116.57 119.07 1cey h LYS 70 Ca 0.21 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1cey h LYS 70 Cb 0.30 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1cey h LYS 70 CO -0.00 0.07 0.28 1.79 -3.45 0.00 0.00 179.45 178.13 1cey h THR 71 N -0.31 1.12 -0.29 1.00 1.35 -0.86 2.06 112.91 116.98 1cey h THR 71 Ca -0.01 -0.25 -0.08 0.00 -0.55 0.00 0.00 66.41 65.52 1cey h THR 71 Cb 0.26 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.17 1cey h THR 71 CO 0.02 0.12 -0.15 0.40 -0.25 0.00 0.00 175.52 175.67 1cey h ILE 72 N 0.58 1.24 -0.00 6.82 2.04 -0.66 0.93 117.51 128.46 1cey h ILE 72 Ca 0.16 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1cey h ILE 72 Cb -0.04 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1cey h ILE 72 CO -0.03 0.35 -0.41 -1.14 0.00 0.00 0.00 178.15 176.92 1cey n ARG 73 N -4.18 0.33 -0.00 2.37 0.00 0.22 -3.87 116.66 111.52 1cey n ARG 73 Ca 0.00 -0.19 0.06 0.00 -0.00 0.00 0.00 57.85 57.72 1cey n ARG 73 Cb 0.34 -1.50 -0.09 0.00 0.00 0.00 0.00 32.46 31.22 1cey n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cey n ALA 74 N -1.17 2.81 -0.20 5.13 0.00 0.69 -4.60 120.51 123.16 1cey n ALA 74 Ca 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1cey n ALA 74 Cb 0.34 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1cey n ALA 74 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cey n ASP 75 N -1.73 0.00 0.00 0.00 5.68 0.32 -4.92 116.55 115.89 1cey n ASP 75 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1cey n ASP 75 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cey n GLY 76 N 0.00 -2.03 1.93 6.12 0.00 -1.26 -4.95 105.19 105.00 1cey n GLY 76 Ca 0.00 0.67 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 77 N -1.29 4.86 -2.60 4.61 0.00 -1.26 -4.34 120.51 120.48 1cey n ALA 77 Ca 0.00 -2.65 -0.01 0.00 0.00 0.00 0.00 53.44 50.78 1cey n ALA 77 Cb 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.26 1cey n ALA 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1cey n MET 78 N -0.66 1.01 -1.20 0.00 0.00 -1.26 -4.97 117.12 110.04 1cey n MET 78 Ca 0.46 -2.24 -0.32 0.00 -0.00 0.00 0.00 57.70 55.60 1cey n MET 78 Cb 1.43 -0.44 -0.06 0.00 0.00 0.00 0.00 33.22 34.16 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 -0.52 7.74 0.00 6.12 7.64 -1.26 -3.49 113.62 129.86 1cey n SER 79 Ca -0.05 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.31 1cey n SER 79 Cb 0.88 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 3.42 0.00 -1.42 -0.43 0.00 -1.26 -4.90 120.51 115.91 1cey n ALA 80 Ca 0.69 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 53.59 1cey n ALA 80 Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 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 0.00 1.80 -4.69 0.00 7.94 -1.23 -4.81 117.00 116.01 1cey n LEU 81 Ca 0.00 0.56 -0.43 0.00 -1.11 0.00 0.00 56.01 55.03 1cey n LEU 81 Cb 0.00 -1.15 -0.03 0.00 0.53 0.00 0.00 43.42 42.76 1cey n LEU 81 CO 0.00 -0.71 1.45 -2.65 -1.11 0.00 0.00 177.39 174.37 1cey n PRO 82 N 7.70 2.73 -4.08 1.96 -0.02 -1.25 -4.88 135.00 137.17 1cey n PRO 82 Ca 0.43 0.99 -0.32 0.00 -2.02 0.00 0.00 63.50 62.58 1cey n PRO 82 Cb 0.15 -2.87 -0.16 0.00 -0.02 0.00 0.00 33.50 30.60 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 2.49 1.95 -0.46 -1.45 1.01 -1.26 -2.32 120.40 120.37 1cey s VAL 83 Ca 0.81 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 1cey s VAL 83 Cb -0.50 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1cey s VAL 83 CO 0.37 0.34 0.45 -0.22 0.00 0.00 0.00 175.10 176.05 1cey s LEU 84 N 1.29 5.16 0.09 3.92 2.96 -0.88 -0.03 118.68 131.18 1cey s LEU 84 Ca 0.01 -0.96 -0.30 0.00 -0.22 0.00 0.00 54.13 52.65 1cey s LEU 84 Cb -0.15 -2.31 -0.06 0.00 0.50 0.00 0.00 46.19 44.17 1cey s LEU 84 CO -0.10 -0.66 1.14 0.00 -1.32 0.00 0.00 176.35 175.41 1cey s MET 85 N 2.05 4.50 -0.02 1.98 0.23 -1.06 -3.55 119.30 123.43 1cey s MET 85 Ca 0.09 1.71 0.04 0.00 -1.03 0.00 0.00 55.69 56.51 1cey s MET 85 Cb -0.20 -3.34 -0.03 0.00 -1.53 0.00 0.00 34.83 29.73 1cey s MET 85 CO 0.11 -0.13 -0.11 0.08 -2.03 0.00 0.00 175.02 172.93 1cey s VAL 86 N 0.64 3.30 0.33 5.16 1.01 0.41 -2.59 120.40 128.65 1cey s VAL 86 Ca 0.55 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 1cey s VAL 86 Cb -0.28 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1cey s VAL 86 CO 0.31 0.49 0.51 0.28 0.00 0.00 0.00 175.10 176.68 1cey s THR 87 N -0.86 0.00 0.00 3.92 -1.32 -1.06 -3.87 115.64 112.45 1cey s THR 87 Ca 0.14 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1cey s THR 87 Cb -0.11 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1cey s THR 87 CO 0.04 0.00 0.12 0.00 -2.21 0.00 0.00 174.62 172.56 1cey n ALA 88 N -0.52 1.27 -3.06 11.08 0.00 -1.26 0.27 120.51 128.29 1cey n ALA 88 Ca -0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 1cey n ALA 88 Cb 0.61 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 1cey n ALA 88 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 89 N -0.34 1.07 -1.52 0.00 0.00 -1.26 -4.74 120.64 113.85 1cey n GLU 89 Ca 0.00 -3.39 -0.25 0.00 0.00 0.00 0.00 57.16 53.53 1cey n GLU 89 Cb 0.04 -1.61 -0.15 0.00 0.00 0.00 0.00 31.44 29.72 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1cey n ALA 90 N 0.19 0.74 -0.81 -1.84 0.00 -1.26 -4.70 120.51 112.82 1cey n ALA 90 Ca 0.21 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1cey n ALA 90 Cb 0.69 -2.69 -0.12 0.00 0.00 0.00 0.00 19.45 17.33 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 7.27 1.63 0.00 0.00 3.00 -1.26 -4.87 118.16 123.93 1cey n LYS 91 Ca 0.59 -0.73 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 1cey n LYS 91 Cb 0.24 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.48 1cey n LYS 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1cey n LYS 92 N 2.37 0.00 -0.33 1.64 5.02 -1.26 -2.69 118.16 122.90 1cey n LYS 92 Ca 0.31 0.00 0.22 0.00 -2.02 0.00 0.00 58.31 56.83 1cey n LYS 92 Cb 0.76 0.00 0.45 0.00 -0.02 0.00 0.00 35.03 36.21 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1cey h GLU 93 N 0.00 0.32 -0.90 1.97 4.81 -1.99 0.74 114.58 119.53 1cey h GLU 93 Ca 0.00 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1cey h GLU 93 Cb 0.00 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1cey h GLU 93 CO 0.00 0.21 0.57 -0.91 -0.73 0.00 0.00 179.01 178.15 1cey h ASN 94 N 0.33 0.91 0.13 1.04 4.21 -1.86 0.75 115.58 121.10 1cey h ASN 94 Ca 0.71 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 58.22 1cey h ASN 94 Cb 1.58 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.60 1cey h ASN 94 CO -0.60 0.59 -0.07 0.40 -1.29 0.00 0.00 177.43 176.45 1cey h ILE 95 N 1.05 0.85 0.00 2.81 2.04 0.22 -1.57 117.51 122.91 1cey h ILE 95 Ca 0.39 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.20 1cey h ILE 95 Cb 0.14 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1cey h ILE 95 CO -0.16 0.00 -0.20 0.40 0.00 0.00 0.00 178.15 178.19 1cey h ILE 96 N -0.20 0.78 0.12 -0.67 1.08 -0.91 -0.34 117.51 117.38 1cey h ILE 96 Ca -0.02 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 1cey h ILE 96 Cb 0.16 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.35 1cey h ILE 96 CO 0.02 0.19 -0.27 0.00 -0.69 0.00 0.00 178.15 177.40 1cey h ALA 97 N 1.80 -0.47 0.00 1.87 0.00 0.15 0.97 119.26 123.59 1cey h ALA 97 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cey h ALA 97 Cb 0.46 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1cey h ALA 97 CO 0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 179.25 178.46 1cey h ALA 98 N 0.23 -0.00 -0.42 0.00 0.00 -1.35 -3.26 119.26 114.46 1cey h ALA 98 Ca 0.03 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1cey h ALA 98 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1cey h ALA 98 CO -0.16 -0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.37 1cey h ALA 99 N -0.06 2.38 -0.50 0.00 0.00 -1.06 1.37 119.26 121.39 1cey h ALA 99 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1cey h ALA 99 Cb 0.89 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1cey h ALA 99 CO 0.00 -0.50 0.33 0.37 0.00 0.00 0.00 179.25 179.45 1cey h GLN 100 N 0.01 0.52 0.00 0.00 4.15 0.96 2.76 115.11 123.51 1cey h GLN 100 Ca 0.20 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 1cey h GLN 100 Cb 0.78 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1cey h GLN 100 CO -0.00 0.34 -0.23 0.00 -1.93 0.00 0.00 178.83 177.00 1cey h ALA 101 N 1.72 0.88 -5.27 3.38 0.00 0.15 -3.48 119.26 116.63 1cey h ALA 101 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cey h ALA 101 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1cey h ALA 101 CO -0.05 0.29 -0.46 0.41 0.00 0.00 0.00 179.25 179.44 1cey n GLY 102 N 0.92 -1.31 0.00 0.00 0.00 0.92 -4.96 105.19 100.76 1cey n GLY 102 Ca 0.02 1.20 0.00 0.00 0.00 0.00 0.00 46.02 47.25 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 -0.40 0.00 -0.11 4.61 0.00 -1.26 -4.95 120.51 118.40 1cey n ALA 103 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1cey n ALA 103 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.80 1cey n ALA 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cey n SER 104 N 0.00 1.89 0.00 0.00 2.88 0.95 -4.69 113.62 114.64 1cey n SER 104 Ca 0.00 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1cey n SER 104 Cb 0.00 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cey n GLY 105 N 1.41 -0.97 2.74 0.46 0.00 -1.24 -4.98 105.19 102.62 1cey n GLY 105 Ca -0.37 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.00 0.03 -0.12 1.61 5.04 -1.26 -2.56 117.35 117.09 1cey s TYR 106 Ca 0.00 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.85 1cey s TYR 106 Cb 0.00 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 42.00 1cey s TYR 106 CO 0.00 -0.14 -0.12 0.54 -1.34 0.00 0.00 175.55 174.49 1cey s VAL 107 N 1.56 1.35 0.00 3.14 0.11 -1.07 -5.03 120.40 120.47 1cey s VAL 107 Ca -0.03 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1cey s VAL 107 Cb -0.13 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1cey s VAL 107 CO -0.03 0.42 0.00 1.33 -3.33 0.00 0.00 175.10 173.48 1cey n VAL 108 N 4.55 0.00 -3.51 2.04 0.24 -1.26 -2.55 118.33 117.84 1cey n VAL 108 Ca -0.17 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.01 1cey n VAL 108 Cb 0.51 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 1cey n VAL 108 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1cey s LYS 109 N -1.96 0.90 0.74 7.34 -2.85 0.76 -4.33 119.74 120.33 1cey s LYS 109 Ca 0.00 -0.09 -0.11 0.00 -1.00 0.00 0.00 55.97 54.77 1cey s LYS 109 Cb 0.00 0.42 0.03 0.00 -2.06 0.00 0.00 37.83 36.22 1cey s LYS 109 CO 0.00 -0.34 1.07 -1.25 0.10 0.00 0.00 175.35 174.93 1cey s PRO 110 N -2.30 2.56 0.27 1.78 0.05 -1.26 -4.35 135.00 131.76 1cey s PRO 110 Ca -0.01 0.94 0.05 0.00 0.05 0.00 0.00 61.00 62.03 1cey s PRO 110 Cb -0.01 -1.95 -0.06 0.00 0.05 0.00 0.00 34.50 32.54 1cey s PRO 110 CO -0.03 -1.36 -0.01 -0.59 0.05 0.00 0.00 177.00 175.06 1cey s PHE 111 N -3.03 1.83 0.08 0.56 -0.12 -1.26 -5.13 117.98 110.92 1cey s PHE 111 Ca 0.59 -0.83 -0.08 0.00 -0.05 0.00 0.00 56.93 56.57 1cey s PHE 111 Cb -0.15 -1.09 -0.05 0.00 -0.63 0.00 0.00 43.02 41.09 1cey s PHE 111 CO 0.55 0.12 0.37 0.99 -0.05 0.00 0.00 175.22 177.20 1cey s THR 112 N -3.20 5.16 0.60 -4.49 2.01 -1.26 -4.89 115.64 109.57 1cey s THR 112 Ca 0.31 0.28 0.28 0.00 0.31 0.00 0.00 61.69 62.87 1cey s THR 112 Cb 0.06 -3.62 0.39 0.00 0.01 0.00 0.00 72.50 69.33 1cey s THR 112 CO 0.12 0.24 1.63 0.00 -0.69 0.00 0.00 174.62 175.91 1cey h ALA 113 N 3.53 2.52 -0.25 7.40 0.00 -1.99 1.45 119.26 131.93 1cey h ALA 113 Ca -0.48 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.23 1cey h ALA 113 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1cey h ALA 113 CO 0.68 -1.19 -0.52 0.00 0.00 0.00 0.00 179.25 178.22 1cey h ALA 114 N 1.03 0.63 0.30 0.00 0.00 -1.97 0.14 119.26 119.39 1cey h ALA 114 Ca 0.34 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cey h ALA 114 Cb 1.98 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1cey h ALA 114 CO -0.00 0.68 -0.15 1.79 0.00 0.00 0.00 179.25 181.57 1cey h THR 115 N 0.55 0.00 -1.01 0.00 1.35 0.16 0.29 112.91 114.25 1cey h THR 115 Ca 0.02 -0.24 0.23 0.00 -0.55 0.00 0.00 66.41 65.87 1cey h THR 115 Cb 1.08 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.39 1cey h THR 115 CO 0.11 0.00 0.61 0.25 -0.25 0.00 0.00 175.52 176.24 1cey h LEU 116 N -0.64 0.67 0.43 3.87 5.85 -1.50 -0.14 115.31 123.85 1cey h LEU 116 Ca -0.04 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1cey h LEU 116 Cb 0.31 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1cey h LEU 116 CO 0.07 0.17 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.05 1cey h GLU 117 N 0.61 -0.56 -1.17 1.25 4.81 -0.63 0.98 114.58 119.87 1cey h GLU 117 Ca 0.61 0.04 0.36 0.00 -0.13 0.00 0.00 59.36 60.23 1cey h GLU 117 Cb 1.15 0.13 -0.12 0.00 0.63 0.00 0.00 28.75 30.54 1cey h GLU 117 CO -0.41 -0.37 0.75 0.93 -0.73 0.00 0.00 179.01 179.18 1cey h GLU 118 N -0.71 0.22 0.00 1.92 5.08 0.12 1.62 114.58 122.84 1cey h GLU 118 Ca -0.06 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.13 1cey h GLU 118 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1cey h GLU 118 CO 0.10 0.14 -0.75 0.87 -1.00 0.00 0.00 179.01 178.37 1cey h LYS 119 N 0.22 0.00 0.48 2.33 1.57 -0.86 -2.97 116.57 117.34 1cey h LYS 119 Ca 0.73 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.48 1cey h LYS 119 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.38 1cey h LYS 119 CO -0.40 0.75 -0.23 1.25 -0.57 0.00 0.00 179.45 180.25 1cey h LEU 120 N 0.00 -0.54 -0.90 2.94 5.85 0.50 -1.47 115.31 121.69 1cey h LEU 120 Ca -0.01 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.77 1cey h LEU 120 Cb 1.36 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.44 1cey h LEU 120 CO 0.10 -0.17 0.51 -1.13 -0.34 0.00 0.00 178.44 177.40 1cey h ASN 121 N -0.97 0.66 0.50 1.25 -0.73 -1.37 0.36 115.58 115.28 1cey h ASN 121 Ca -0.07 0.08 -0.06 0.00 1.87 0.00 0.00 56.30 58.12 1cey h ASN 121 Cb 0.59 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 1cey h ASN 121 CO 0.11 0.30 -0.29 0.50 -0.37 0.00 0.00 177.43 177.68 1cey h LYS 122 N 0.74 0.00 0.10 6.67 3.11 -1.46 -1.59 116.57 124.14 1cey h LYS 122 Ca 0.48 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 58.11 1cey h LYS 122 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1cey h LYS 122 CO -0.33 0.29 -1.00 0.82 -2.81 0.00 0.00 179.45 176.42 1cey h ILE 123 N 0.00 1.30 0.00 2.00 2.04 0.50 -3.33 117.51 120.02 1cey h ILE 123 Ca -0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 64.86 63.38 1cey h ILE 123 Cb 0.62 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 1cey h ILE 123 CO 0.04 0.67 -0.21 -0.26 0.00 0.00 0.00 178.15 178.38 1cey h PHE 124 N -0.47 0.00 -0.83 1.37 -1.00 -0.40 -1.96 116.94 113.65 1cey h PHE 124 Ca -0.21 0.00 0.24 0.00 2.81 0.00 0.00 57.97 60.81 1cey h PHE 124 Cb 1.59 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.11 1cey h PHE 124 CO 0.17 0.21 0.61 1.49 -1.61 0.00 0.00 178.31 179.19 1cey h GLU 125 N 0.00 0.00 0.00 1.51 4.81 0.03 1.51 114.58 122.44 1cey h GLU 125 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1cey h GLU 125 Cb 0.45 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1cey h GLU 125 CO 0.03 0.00 -0.90 0.87 -0.73 0.00 0.00 179.01 178.28 1cey h LYS 126 N 0.00 0.00 0.00 1.92 1.57 -1.54 -3.29 116.57 115.24 1cey h LYS 126 Ca 0.39 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.08 1cey h LYS 126 Cb 1.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 1cey h LYS 126 CO -0.00 0.07 -0.48 1.25 -0.57 0.00 0.00 179.45 179.71 1cey h LEU 127 N 0.00 0.00 0.00 2.94 6.46 0.20 -3.47 115.31 121.44 1cey h LEU 127 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1cey h LEU 127 Cb 1.11 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.04 1cey h LEU 127 CO 0.01 0.46 0.00 0.61 -0.62 0.00 0.00 178.44 178.90 1cey n GLY 128 N 1.22 4.20 0.48 3.75 0.00 0.10 -5.09 105.19 109.85 1cey n GLY 128 Ca 0.02 -0.66 0.14 0.00 0.00 0.00 0.00 46.02 45.52 1cey n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35